Structure of PDB 8dqv Chain A Binding Site BS01

Receptor Information
>8dqv Chain A (length=513) Species: 246196 (Mycolicibacterium smegmatis MC2 155) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDLFVSPLGRVEGDLDVRVTINDGVVTSAWTEAAMFRGFEIILRGKDPQA
GLIVCPRICGICGGSHLYKSAYALDTAWRTHMPPNATLIRNICQACETLQ
SIPRYFYALFAIDLTNKNYAKSKLYDEAVRRFAPYVGTSYQPGVVLSAKP
VEVYAIFGGQWPHSSFMVPGGVMSAPTLSDVTRAIAILEHWNDNWLEKQW
LGCSVDRWLENKTWNDVLAWVDENESQYNSDCGFFIRYCLDVGLDKYGQG
VGNYLATGTYFEPSLYENPTIEGRNAALIGRSGVFADGRYFEFDQANVTE
DVTHSFYEGNRPLHPFEGETIPVNPEDGRRQGKYSWAKSPRYAVPGLGNV
PLETGPLARRMAASAPDAETHQDDDPLFADIYNAIGPSVMVRQLARMHEG
PKYYKWVRQWLDDLELKESFYTKPVEYAEGKGFGSTEAARGALSDWIVIE
DSKIKNYQVVTPTAWNIGPRDASEVLGPIEQALVGSPIVDAEDPVELGHV
ARSFDSCLVCTVH
Ligand information
Ligand IDO
InChIInChI=1S/H2O/h1H2
InChIKeyXLYOFNOQVPJJNP-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		O
CACTVS 3.341[O]
FormulaO
NameOXYGEN ATOM
ChEMBLCHEMBL1098659
DrugBankDB09145
ZINC
PDB chain8dqv 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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PDB8dqv Structural basis for bacterial energy extraction from atmospheric hydrogen.
Resolution1.52 Å
Binding residue
(original residue number in PDB)		R443 C510
Binding residue
(residue number reindexed from 1)		R440 C507
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.99.6: hydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0033748 hydrogenase (acceptor) activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8dqv, PDBe:8dqv, PDBj:8dqv
PDBsum8dqv
PubMed36890228
UniProtA0QUM7

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