Structure of PDB 7wmk Chain A Binding Site BS01

Receptor Information
>7wmk Chain A (length=557) Species: 429726 (Devosia albogilva) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADGAAAETAAPGQSAIENFQPVTAEDLAGGNAANWPILRGNYQGWGYTQL
DQINKDNVGQLQLAWARTMEPGSNEGSAIAYNGVVFLGNANDVVQAIDGK
TGNLIWEYRRKLPPASKFINSLGAAKRSIALFGDKVYFVSWDNFVVALDA
KTGKLAWETNRGQGVEEGVSNSSGPIVVDGVVIAGSTCQYSGFGCYVTGT
DAESGEELWRNTFIPRPGEEGDDTWGGAPYENRWMTGAWGQITYDPELDL
VYYGSTGAGPASEVQRGTEGGTLAGTNTRFAVKPKTGEVVWKHQTLPRDN
WDSECTFEMMVVSTTVNPDAGADGMMSVGANVPRGETRKVLTGVPCKTGV
AWQFDAETGDYFWSKATVEQNSIASIDDKGLVTVNEDMILKEPGKDYNYC
PTFLGGRDWPSAGYLPKSNLYVIPLSNACYDLVKLAPGKTNMGRVDAIDV
ATGATKWSFETEAALYDPVMTTAGDLVFVGSTDRMFRALDAETGKEVWST
RLPGAISGYTTSYSIDGRQYVAVVAGGSLGTGFFKAAVPGVDAVQGGNGI
YVFALPE
Ligand information
Ligand IDPQQ
InChIInChI=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)
InChIKeyMMXZSJMASHPLLR-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c2c([nH]c1C(=O)O)-c3c(cc(nc3C(=O)C2=O)C(=O)O)C(=O)O
CACTVS 3.341OC(=O)c1[nH]c2c(c1)C(=O)C(=O)c3nc(cc(C(O)=O)c23)C(O)=O
ACDLabs 10.04O=C(O)c1c3c(nc(C(=O)O)c1)C(=O)C(=O)c2cc(C(=O)O)nc23
FormulaC14 H6 N2 O8
NamePYRROLOQUINOLINE QUINONE
ChEMBLCHEMBL1235421
DrugBankDB03205
ZINCZINC000001532545
PDB chain7wmk Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB7wmk Structure-Function Analysis of a Quinone-Dependent Dehydrogenase Capable of Deoxynivalenol Detoxification.
Resolution1.47 Å
Binding residue
(original residue number in PDB)		E77 L124 R129 S174 T189 Q191 W241 D304 E306 K349 D410 W411 Y486
Binding residue
(residue number reindexed from 1)		E75 L122 R127 S172 T187 Q189 W239 D302 E304 K347 D408 W409 Y466
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:7wmk, PDBe:7wmk, PDBj:7wmk
PDBsum7wmk
PubMed35613468
UniProtA0A6B8QJ68

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