2026-09-19_00000211|ligand|9WUI

Quinoprotein aldose dehydrogenase in PQQ-bound form; X-ray diffraction 1.95Å
Protein #1 371 residues (90% resolved)

MRRRTFLTLAVLVSLSASLGLLTALIRKGPSEEWKFKISEVASDLEVPWSIAPLGGGRYLVTEQPGRLVLISPSGKKLVASFDVANVGEAGLLGLALHPEFPKKSWVYLYASYFAEGGHIRNRVIRGRLDGSTFKLKEVKTLIDGIPGAYIHNGGRIRFGPDGMLYITTGDAADPRLAQDLSSLAGKILRVDEEGRPPADNPFPNSPIWSYGHRNPQGIDWHRASGVMVATEHGPVGHDEVNIILKGGNYGWPLATGKAGRGEFVDPVIDTGSETWAPSGASFVHGDMFPGLRGWLLIACLRGSMLAAVNFGDNMEVRKISTFFKNVFGRLRDVVIDDDGGILISTSNRNGRGSLRAGDDKILKIVSEQHT

MRRRTFLTLAVLVSLSASLGLLTALIRKGPSEEWKFKISEVASDLEVPWSIAPLGGGRYLVTEQPGRLVLISPSGKKLVASFDVANVGEAGLLGLALHPEFPKKSWVYLYASYFAEGGHIRNRVIRGRLDGSTFKLKEVKTLIDGIPGAYIHNGGRIRFGPDGMLYITTGDAADPRLAQDLSSLAGKILRVDEEGRPPADNPFPNSPIWSYGHRNPQGIDWHRASGVMVATEHGPVGHDEVNIILKGGNYGWPLATGKAGRGEFVDPVIDTGSETWAPSGASFVHGDMFPGLRGWLLIACLRGSMLAAVNFGDNMEVRKISTFFKNVFGRLRDVVIDDDGGILISTSNRNGRGSLRAGDDKILKIVSEQHT
Non polymer #2 CA

InChI=1S/Ca/q+2

[Ca+2]
Non polymer #3 PQQ

InChI=1S/C14H6N2O8/c17-10-4-2-6(14(23)24)15-8(4)7-3(12(19)20)1-5(13(21)22)16-9(7)11(10)18/h1-2,15H,(H,19,20)(H,21,22)(H,23,24)

c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O
Non polymer #4 ZN

InChI=1S/Zn/q+2

[Zn+2]
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Reference