Structure of PDB 7tsj Chain A Binding Site BS01

Receptor Information
>7tsj Chain A (length=621) Species: 881 (Nitratidesulfovibrio vulgaris) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RSRSIWDDAHAMLEKAKAEGISTVWDRAAEQTPACKFCELGTTCRNCIMG
PCRIANRKDGKMRLGVCGADADVIVARNFGRFIAGGAAGHSDHGRDLIET
LEAVAEGKAPGYTIRDVAKLRRIAAELGVADAATRPAHDVAADLVTICYN
DFGSRRNALAFLARAPQVRRDLWQRLGMTPRGVDREIAEMMHRTHMGCDN
DHTSLLVHAARTALADGWGGSMIGTELSDILFGTPRPRQSTVNLGVLRKD
AVNILVHGHNPVVSEMILAATREPAVRQAAQDAGAADINVAGLCCTGNEL
LMRQGIPMAGNHLMTELAIVTGAADAIVADYQCIMPSLVQIAACYHTRFV
TTSPKGRFTGATHVEVHPHNAQERCREIVMLAIDAYTRRDPARVDIPSQP
VSIMSGFSNEAILEALGGTPKPLIDAVVAGQIRGFVGIVGCNNPKIRQDS
ANVTLTRELIRRDIMVLATGCVTTAAGKAGLLVPEAASKAGEGLAAVCRS
LGVPPVLHMGSCVDNSRILQLCALLATTLGVDISDLPVGASSPEWYSEKA
AAIAMYAVASGIPTHLGLPPNILGSENVTAMALHGLQDVVGAAFMVEPDP
VKAADMLEAHIVARRARLGLT
Ligand information
Ligand IDSF4
InChIInChI=1S/4Fe.4S
InChIKeyLJBDFODJNLIPKO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.7[S]12[Fe]3[S]4[Fe]1[S]5[Fe]2[S]3[Fe]45
CACTVS 3.385S1[Fe]S[Fe]1.S2[Fe]S[Fe]2
FormulaFe4 S4
NameIRON/SULFUR CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain7tsj Chain A Residue 701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7tsj Visualizing the gas channel of a monofunctional carbon monoxide dehydrogenase.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		C51 C54 G57 C59 V73 C74 R84
Binding residue
(residue number reindexed from 1)		C44 C47 G50 C52 V66 C67 R77
Annotation score1
Enzymatic activity
Enzyme Commision number 1.2.7.4: anaerobic carbon-monoxide dehydrogenase.
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
GO:0004601 peroxidase activity
GO:0016151 nickel cation binding
GO:0016491 oxidoreductase activity
GO:0043885 anaerobic carbon-monoxide dehydrogenase activity
GO:0046872 metal ion binding
GO:0050418 hydroxylamine reductase activity
GO:0051537 2 iron, 2 sulfur cluster binding
GO:0051539 4 iron, 4 sulfur cluster binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0042542 response to hydrogen peroxide
GO:0098869 cellular oxidant detoxification

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7tsj, PDBe:7tsj, PDBj:7tsj
PDBsum7tsj
PubMed35278753
UniProtQ72A99

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