cometadata/datacite-titles-descriptions-related-identifiers huggingface dataset:
DOI: 10.5281/zenodo.15146618
title: Table 1 in The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus

description: Table 1 Measurements (μm) and proportions (%) of Setaphyes dentatus, including total values from the different studied populations split by sex (values per specimen and population can be found in Supplementary Table 3. Abbreviations: LTS, lateral terminal spine length; MSW5, maximum sternal width (measured at segment 5); n, number of measured specimens; S, segment length (followed by number of corresponding segment); Sd, standard deviation; SW10, standard sternal width (measured at segment 10); TL, total trunk length.
CharacternMean, Sd ♀Range ♀Mean, Sd 6Range 6Mean, Sd ♀+6Range ♀+6TL83♀/536652, 55.9528–780630, 51.2518–735643, 55518–780MSW582♀/536157, 8.1128–179154, 10.2131–175156, 9128–179MSW5/TL82♀/53624, 0.0420–4925, 0.0318–3124, 0.0420–49SW1082♀/536135, 9.7105–158130, 10.2110–157133, 10.1105–158SW10/TL82♀/53621, 0.0315–3921, 0.0218–2821, 0.0315–39S183♀/526101, 8.368–11796, 778–11299, 8.268–117S283♀/52663, 7.243–8561, 7.337–7562, 7.237–85S383♀/52666, 7.153–8463, 7.639–7865, 7.539–84S483♀/52670, 7.753–9266, 7.451–8069, 7.851–92S583♀/52673, 7.357–9670, 7.458–8672, 7.557–96S683♀/52676, 761–9673, 7.355–8975, 7.255–96S783♀/52678, 7.261–9875, 761–9277, 7.261–98S883♀/52678, 765–9977, 762–9578, 762–99S983♀/52678, 6.362–9476, 6.264–9277, 6.362–94S1083♀/52694, 12.583–11486, 14.268–11091, 13.468–114S1182♀/52633, 6.619–5329, 6.217–4331, 6.617–53LTS74♀/486100, 13.274–140133, 13.4103–166113, 2174–166LTS/TL74♀/48616, 0.0311–3221, 0.0214–2818, 0.0411–32
description: Published as part of González-Casarrubios, Alberto, Cepeda, Diego, Neuhaus, Birger, García-Cobo, Marta, Pardos, Fernando, Ürkmez, Derya & Sánchez, Nuria, 2023, The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus, pp. 100 in Zoologischer Anzeiger 303 on page 100, DOI: 10.1016/j.jcz.2022.12.004, http://zenodo.org/record/8164206
DOI: 10.5281/zenodo.15146619
title: Table 1 in The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus

description: Table 1 Measurements (μm) and proportions (%) of Setaphyes dentatus, including total values from the different studied populations split by sex (values per specimen and population can be found in Supplementary Table 3. Abbreviations: LTS, lateral terminal spine length; MSW5, maximum sternal width (measured at segment 5); n, number of measured specimens; S, segment length (followed by number of corresponding segment); Sd, standard deviation; SW10, standard sternal width (measured at segment 10); TL, total trunk length.
CharacternMean, Sd ♀Range ♀Mean, Sd 6Range 6Mean, Sd ♀+6Range ♀+6TL83♀/536652, 55.9528–780630, 51.2518–735643, 55518–780MSW582♀/536157, 8.1128–179154, 10.2131–175156, 9128–179MSW5/TL82♀/53624, 0.0420–4925, 0.0318–3124, 0.0420–49SW1082♀/536135, 9.7105–158130, 10.2110–157133, 10.1105–158SW10/TL82♀/53621, 0.0315–3921, 0.0218–2821, 0.0315–39S183♀/526101, 8.368–11796, 778–11299, 8.268–117S283♀/52663, 7.243–8561, 7.337–7562, 7.237–85S383♀/52666, 7.153–8463, 7.639–7865, 7.539–84S483♀/52670, 7.753–9266, 7.451–8069, 7.851–92S583♀/52673, 7.357–9670, 7.458–8672, 7.557–96S683♀/52676, 761–9673, 7.355–8975, 7.255–96S783♀/52678, 7.261–9875, 761–9277, 7.261–98S883♀/52678, 765–9977, 762–9578, 762–99S983♀/52678, 6.362–9476, 6.264–9277, 6.362–94S1083♀/52694, 12.583–11486, 14.268–11091, 13.468–114S1182♀/52633, 6.619–5329, 6.217–4331, 6.617–53LTS74♀/486100, 13.274–140133, 13.4103–166113, 2174–166LTS/TL74♀/48616, 0.0311–3221, 0.0214–2818, 0.0411–32
description: Published as part of González-Casarrubios, Alberto, Cepeda, Diego, Neuhaus, Birger, García-Cobo, Marta, Pardos, Fernando, Ürkmez, Derya & Sánchez, Nuria, 2023, The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus, pp. 100 in Zoologischer Anzeiger 303 on page 100, DOI: 10.1016/j.jcz.2022.12.004, http://zenodo.org/record/8164206
DOI: 10.5281/zenodo.15146621
title: Table 2 in The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus

description: Table 2 Summary of nature and arrangement of cuticular elevations, processes, spines, tubes, setae, sensory spots and nephridiopores in Setaphyes dentatus. Abbreviations: ce, cuticular elevation; cp, cuticular process; LD, laterodorsal; lts, lateral terminal spine; LV, lateroventral; MD, middorsal; ne, nephridiopore; PD, paradorsal; ps, penile spine; SD, subdorsal; se, seta; ss, sensory spot; tu, tube; VL, ventrolateral; VM, ventromedial; * indicates unpaired structures; 6 and ♀ indicates sexually dimorphic characters.
SegmentMDPDSDLDLVVLVM1cp*ssssssSs2ce*se*, sssssssese (♀)tu (6), ss3ce*se*, ssssse, sssese (♀), ss4ce*se*, sssssssese, ss5ce*se*, ssssse, sssese, ss6ce*se*, sssssssess7cp*se*, ssssse, sssese, ss8cp*se*, sssssssese, ss9cp*se*, ssssssse, nessse (♀)10sssssess11ltsps x2 (6)
description: Published as part of González-Casarrubios, Alberto, Cepeda, Diego, Neuhaus, Birger, García-Cobo, Marta, Pardos, Fernando, Ürkmez, Derya & Sánchez, Nuria, 2023, The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus, pp. 100 in Zoologischer Anzeiger 303 on page 100, DOI: 10.1016/j.jcz.2022.12.004, http://zenodo.org/record/8164206
DOI: 10.5281/zenodo.15146620
title: Table 2 in The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus

description: Table 2 Summary of nature and arrangement of cuticular elevations, processes, spines, tubes, setae, sensory spots and nephridiopores in Setaphyes dentatus. Abbreviations: ce, cuticular elevation; cp, cuticular process; LD, laterodorsal; lts, lateral terminal spine; LV, lateroventral; MD, middorsal; ne, nephridiopore; PD, paradorsal; ps, penile spine; SD, subdorsal; se, seta; ss, sensory spot; tu, tube; VL, ventrolateral; VM, ventromedial; * indicates unpaired structures; 6 and ♀ indicates sexually dimorphic characters.
SegmentMDPDSDLDLVVLVM1cp*ssssssSs2ce*se*, sssssssese (♀)tu (6), ss3ce*se*, ssssse, sssese (♀), ss4ce*se*, sssssssese, ss5ce*se*, ssssse, sssese, ss6ce*se*, sssssssess7cp*se*, ssssse, sssese, ss8cp*se*, sssssssese, ss9cp*se*, ssssssse, nessse (♀)10sssssess11ltsps x2 (6)
description: Published as part of González-Casarrubios, Alberto, Cepeda, Diego, Neuhaus, Birger, García-Cobo, Marta, Pardos, Fernando, Ürkmez, Derya & Sánchez, Nuria, 2023, The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus, pp. 100 in Zoologischer Anzeiger 303 on page 100, DOI: 10.1016/j.jcz.2022.12.004, http://zenodo.org/record/8164206
DOI: 10.5281/zenodo.15146622
title: Table 3 in The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus

description: Table 3 Measurements (μm) and proportions (%) of Setaphyes kielensis, including total values from the different studied populations split by sex (values per specimen and population can be found in Supplementary Table 3. Abbreviations: LTS, lateral terminal spine length; MSW5, maximum sternal width (measured at segment 5); n, number of measured specimens; S, segment length (followed by number of corresponding segment); Sd, standard deviation; SW10, standard sternal width (measured at segment 10); TL, total trunk length.
CharacternMean, Sd ♀Range ♀Mean, Sd 6Range 6Mean, Sd ♀+6Range ♀+6MSW519♀/156152, 16.7130–200132, 13.299–145143, 18.399–200MSW5/TL19♀/15630, 0.0330–3130, 0.0420–3630, 0.0320–36SW1019♀/156131, 15.7103–166110, 12.884–127122, 17.784–166SW10/TL19♀/15626, 0.0226–2725, 0.0319–2826, 0.0319–31S119♀/15678, 8.564–9664, 6.554–7972, 10.354–96S219♀/15649, 5.941–6343, 4.836–5147, 6.136–63S319♀/15653, 7.142–7246, 3.840–5450, 6.740–72S419♀/15659, 8.947–8451, 3.543–5855, 8.243–84S519♀/15662, 6.655–7851, 2.846–5757, 7.746–78S619♀/15664, 7.853–8552, 4.546–6158, 8.846–85S719♀/15667, 755–8256, 3.550–6362, 7.850–82S819♀/15669, 7.558–8858, 3.150–6264, 8.350–88S919♀/15673, 9.262–9961, 3.855–6868, 9.355–99S1019♀/15677, 9.352–9260, 5.654–7470, 11.552–92S1119♀/15632, 4.925–4135, 5.822–4333, 5.522–43LTS17♀/14646, 10.331–67137, 14.2104–16287, 47.831–162LTS/TL17♀/1469, 0.027–1131, 0.0424–3719, 0.17–37
description: Published as part of González-Casarrubios, Alberto, Cepeda, Diego, Neuhaus, Birger, García-Cobo, Marta, Pardos, Fernando, Ürkmez, Derya & Sánchez, Nuria, 2023, The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus, pp. 106 in Zoologischer Anzeiger 303 on page 106, DOI: 10.1016/j.jcz.2022.12.004, http://zenodo.org/record/8164206
DOI: 10.5281/zenodo.15146623
title: Table 3 in The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus

description: Table 3 Measurements (μm) and proportions (%) of Setaphyes kielensis, including total values from the different studied populations split by sex (values per specimen and population can be found in Supplementary Table 3. Abbreviations: LTS, lateral terminal spine length; MSW5, maximum sternal width (measured at segment 5); n, number of measured specimens; S, segment length (followed by number of corresponding segment); Sd, standard deviation; SW10, standard sternal width (measured at segment 10); TL, total trunk length.
CharacternMean, Sd ♀Range ♀Mean, Sd 6Range 6Mean, Sd ♀+6Range ♀+6MSW519♀/156152, 16.7130–200132, 13.299–145143, 18.399–200MSW5/TL19♀/15630, 0.0330–3130, 0.0420–3630, 0.0320–36SW1019♀/156131, 15.7103–166110, 12.884–127122, 17.784–166SW10/TL19♀/15626, 0.0226–2725, 0.0319–2826, 0.0319–31S119♀/15678, 8.564–9664, 6.554–7972, 10.354–96S219♀/15649, 5.941–6343, 4.836–5147, 6.136–63S319♀/15653, 7.142–7246, 3.840–5450, 6.740–72S419♀/15659, 8.947–8451, 3.543–5855, 8.243–84S519♀/15662, 6.655–7851, 2.846–5757, 7.746–78S619♀/15664, 7.853–8552, 4.546–6158, 8.846–85S719♀/15667, 755–8256, 3.550–6362, 7.850–82S819♀/15669, 7.558–8858, 3.150–6264, 8.350–88S919♀/15673, 9.262–9961, 3.855–6868, 9.355–99S1019♀/15677, 9.352–9260, 5.654–7470, 11.552–92S1119♀/15632, 4.925–4135, 5.822–4333, 5.522–43LTS17♀/14646, 10.331–67137, 14.2104–16287, 47.831–162LTS/TL17♀/1469, 0.027–1131, 0.0424–3719, 0.17–37
description: Published as part of González-Casarrubios, Alberto, Cepeda, Diego, Neuhaus, Birger, García-Cobo, Marta, Pardos, Fernando, Ürkmez, Derya & Sánchez, Nuria, 2023, The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus, pp. 106 in Zoologischer Anzeiger 303 on page 106, DOI: 10.1016/j.jcz.2022.12.004, http://zenodo.org/record/8164206
DOI: 10.5281/zenodo.15146624
title: Table 4 in The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus

description: Table 4 Summary of nature and arrangement of cuticular elevations, spines, tubes, setae, sensory spots and nephridiopores in Setaphyes kielensis. Abbreviations: ce, cuticular elevation; LD, laterodorsal; lts, lateral terminal spine; LV, lateroventral; MD, middorsal; ne, nephridiopore; PD, paradorsal; ps, penile spine; SD, subdorsal; se, seta; ss, sensory spot; tu, tube; VL, ventrolateral; VM, ventromedial; * indicates unpaired structures; 6 and ♀ indicates sexually dimorphic characters.
SegmentMDPDSDLDLVVLVM1ce*ssss x2ss2ce*se, ssssse, sssese (♀)tu (6), ss3ce*se, ssssse, sssese, ss4ce*se, ssssse, sssese, ss5ce*se, ssssse, sssese, ss6ce*se, sssssesese, ss7ce*se, ssssse, sssese, ss8ce*se*, ssss x2se, sssese, ss9ce*se, ssss x2se, ssse, nese, ss10ss x2se11ltsps x2 (6)
description: Published as part of González-Casarrubios, Alberto, Cepeda, Diego, Neuhaus, Birger, García-Cobo, Marta, Pardos, Fernando, Ürkmez, Derya & Sánchez, Nuria, 2023, The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus, pp. 107 in Zoologischer Anzeiger 303 on page 107, DOI: 10.1016/j.jcz.2022.12.004, http://zenodo.org/record/8164206
DOI: 10.5281/zenodo.15146625
title: Table 4 in The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus

description: Table 4 Summary of nature and arrangement of cuticular elevations, spines, tubes, setae, sensory spots and nephridiopores in Setaphyes kielensis. Abbreviations: ce, cuticular elevation; LD, laterodorsal; lts, lateral terminal spine; LV, lateroventral; MD, middorsal; ne, nephridiopore; PD, paradorsal; ps, penile spine; SD, subdorsal; se, seta; ss, sensory spot; tu, tube; VL, ventrolateral; VM, ventromedial; * indicates unpaired structures; 6 and ♀ indicates sexually dimorphic characters.
SegmentMDPDSDLDLVVLVM1ce*ssss x2ss2ce*se, ssssse, sssese (♀)tu (6), ss3ce*se, ssssse, sssese, ss4ce*se, ssssse, sssese, ss5ce*se, ssssse, sssese, ss6ce*se, sssssesese, ss7ce*se, ssssse, sssese, ss8ce*se*, ssss x2se, sssese, ss9ce*se, ssss x2se, ssse, nese, ss10ss x2se11ltsps x2 (6)
description: Published as part of González-Casarrubios, Alberto, Cepeda, Diego, Neuhaus, Birger, García-Cobo, Marta, Pardos, Fernando, Ürkmez, Derya & Sánchez, Nuria, 2023, The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus, pp. 107 in Zoologischer Anzeiger 303 on page 107, DOI: 10.1016/j.jcz.2022.12.004, http://zenodo.org/record/8164206
DOI: 10.5281/zenodo.15146627
title: Table 6 in The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus

description: Table 6 Output of the one-way classic ANOVA, Welch’ s ANOVA or Kruskal–Wallis test to assess sexual differences in total trunk length and ratio between total trunk length and length of the lateral terminal spines in the European Setaphyes species. Probability level: **p <0.01; *p <0.05; italics, marginally significant; absence of asterisk, not significant.
6/♀TLLTS/TLS. dentatus0.0257*6.721e-16**S. algarvensis0.7150.03389*S. elenae0.06120.02535*S. cimarensis0.7776.046e-05**S. flaveolatus0.5650.00129**S. kielensis1.539e-06**1.539e-06**
description: Published as part of González-Casarrubios, Alberto, Cepeda, Diego, Neuhaus, Birger, García-Cobo, Marta, Pardos, Fernando, Ürkmez, Derya & Sánchez, Nuria, 2023, The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus, pp. 109 in Zoologischer Anzeiger 303 on page 109, DOI: 10.1016/j.jcz.2022.12.004, http://zenodo.org/record/8164206
DOI: 10.5281/zenodo.15146626
title: Table 6 in The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus

description: Table 6 Output of the one-way classic ANOVA, Welch’ s ANOVA or Kruskal–Wallis test to assess sexual differences in total trunk length and ratio between total trunk length and length of the lateral terminal spines in the European Setaphyes species. Probability level: **p <0.01; *p <0.05; italics, marginally significant; absence of asterisk, not significant.
6/♀TLLTS/TLS. dentatus0.0257*6.721e-16**S. algarvensis0.7150.03389*S. elenae0.06120.02535*S. cimarensis0.7776.046e-05**S. flaveolatus0.5650.00129**S. kielensis1.539e-06**1.539e-06**
description: Published as part of González-Casarrubios, Alberto, Cepeda, Diego, Neuhaus, Birger, García-Cobo, Marta, Pardos, Fernando, Ürkmez, Derya & Sánchez, Nuria, 2023, The genus Setaphyes (Kinorhyncha, Pycnophyidae) in European waters: Redescription of Setaphyes dentatus (Reinhard, 1881) and Setaphyes kielensis (Zelinka, 1928), including notes on morphometrics, sexually dimorphic features and reproduction of the genus, pp. 109 in Zoologischer Anzeiger 303 on page 109, DOI: 10.1016/j.jcz.2022.12.004, http://zenodo.org/record/8164206
DOI: 10.5281/zenodo.15146628
title: Table 1 2.3 in 21 - Hydroxypregnane 21 - O-malonylation, a crucial step in cardenolide biosynthesis, can be achieved by substrate-promiscuous BAHD-type phenolic glucoside malonyltransferases from Arabidopsis thaliana and homolog proteins from Digitalis lanata

description: Table 1 Several 21-hydroxypregnanes as well as other compounds were docked into the homology model of At PMaT1, At PMaT2, Dl MaT1 and their binding scores calculated. The empirical binding free energy (kcal mol 1) of the substrates in the catalytic site is shown. For acronyms and structures, see Materials & Methods, and Fig.2. Empirical binding free energies where the distance between the catalytic histidine and the hydroxy group to be acylated were deemed too large are not listed ().
SubstrateEmpirical binding free energy [kcal mol 1]At PMaT1At PMaT2Dl MaT13- O -Digitoxosylketol9.5–10.13- O -Benzoylketol9.6n.d.9.43- O -Acetylketol8.8––Ketol8.5––5α- Pregnan-21-ol-3,20-dione7.6n.d.–5β- Pregnan-21-ol-3,20-dione7.1n.d.8.75β- Pregnane-3β,21-diol-20-one6.9n.d.8.54-Pregnen-21-ol-3,20-dione6.8n.d.7.6Kaempferol 3- O -glucoside7.3–7.8Quercetin 3- O -glucoside7.3–7.3Phenyl glucoside an.d.6.2n.d.
a Used as a positive control for At PMaT2.
description: Published as part of Tropper, Marina, H, Stephanie, ohn, Wolf, Laura-Sophie, Fritsch, Julia, Kastner-Detter, Nina, Rieck, Christoph, Munkert, Jennifer, Meitinger, Nadine, Lanig, Harald & Kreis, Wolfgang, 2021, 21 - Hydroxypregnane 21 - O-malonylation, a crucial step in cardenolide biosynthesis, can be achieved by substrate-promiscuous BAHD-type phenolic glucoside malonyltransferases from Arabidopsis thaliana and homolog proteins from Digitalis lanata, pp. 5 in Phytochemistry (112710) 187 on page 5, DOI: 10.1016/j.phytochem.2021.112710, http://zenodo.org/record/8259095
DOI: 10.5281/zenodo.15146629
title: Table 1 2.3 in 21 - Hydroxypregnane 21 - O-malonylation, a crucial step in cardenolide biosynthesis, can be achieved by substrate-promiscuous BAHD-type phenolic glucoside malonyltransferases from Arabidopsis thaliana and homolog proteins from Digitalis lanata

description: Table 1 Several 21-hydroxypregnanes as well as other compounds were docked into the homology model of At PMaT1, At PMaT2, Dl MaT1 and their binding scores calculated. The empirical binding free energy (kcal mol 1) of the substrates in the catalytic site is shown. For acronyms and structures, see Materials & Methods, and Fig.2. Empirical binding free energies where the distance between the catalytic histidine and the hydroxy group to be acylated were deemed too large are not listed ().
SubstrateEmpirical binding free energy [kcal mol 1]At PMaT1At PMaT2Dl MaT13- O -Digitoxosylketol9.5–10.13- O -Benzoylketol9.6n.d.9.43- O -Acetylketol8.8––Ketol8.5––5α- Pregnan-21-ol-3,20-dione7.6n.d.–5β- Pregnan-21-ol-3,20-dione7.1n.d.8.75β- Pregnane-3β,21-diol-20-one6.9n.d.8.54-Pregnen-21-ol-3,20-dione6.8n.d.7.6Kaempferol 3- O -glucoside7.3–7.8Quercetin 3- O -glucoside7.3–7.3Phenyl glucoside an.d.6.2n.d.
a Used as a positive control for At PMaT2.
description: Published as part of Tropper, Marina, H, Stephanie, ohn, Wolf, Laura-Sophie, Fritsch, Julia, Kastner-Detter, Nina, Rieck, Christoph, Munkert, Jennifer, Meitinger, Nadine, Lanig, Harald & Kreis, Wolfgang, 2021, 21 - Hydroxypregnane 21 - O-malonylation, a crucial step in cardenolide biosynthesis, can be achieved by substrate-promiscuous BAHD-type phenolic glucoside malonyltransferases from Arabidopsis thaliana and homolog proteins from Digitalis lanata, pp. 5 in Phytochemistry (112710) 187 on page 5, DOI: 10.1016/j.phytochem.2021.112710, http://zenodo.org/record/8259095
DOI: 10.5281/zenodo.15146630
title: Table 2 r in 21 - Hydroxypregnane 21 - O-malonylation, a crucial step in cardenolide biosynthesis, can be achieved by substrate-promiscuous BAHD-type phenolic glucoside malonyltransferases from Arabidopsis thaliana and homolog proteins from Digitalis lanata

description: Table 2 r At PMaT1 kinetic profiling with different substrates.
SubstrateK M (μM)v (nkat mg 1) maxk(s 1) cat3- O -Acetylketol108 ± 1010.7 ± 0.30.63- O -Digitoxosylketol27 ± 52.6 ± 0.10.14-Pregnen-21-ol-3,20-dione298 ± 620.7 ± 0.060.045α- Pregnane21-ol-3,20-dione374 ± 1230.7 ± 0.10.045β- Pregnan-21-ol-3,20-dione621 ± 1912.5 ± 0.40.15β- Pregnane-3β,21-diol-20-one269 ± 880.7 ± 0.090.04Kaempferol 3- O -glucoside41.5 ± 5353 ± 8619.4Quercetin 3- O -glucoside67 ± 2164 ± 89.0
description: Published as part of Tropper, Marina, H, Stephanie, ohn, Wolf, Laura-Sophie, Fritsch, Julia, Kastner-Detter, Nina, Rieck, Christoph, Munkert, Jennifer, Meitinger, Nadine, Lanig, Harald & Kreis, Wolfgang, 2021, 21 - Hydroxypregnane 21 - O-malonylation, a crucial step in cardenolide biosynthesis, can be achieved by substrate-promiscuous BAHD-type phenolic glucoside malonyltransferases from Arabidopsis thaliana and homolog proteins from Digitalis lanata, pp. 5 in Phytochemistry (112710) 187 on page 5, DOI: 10.1016/j.phytochem.2021.112710, http://zenodo.org/record/8259095