Structure of PDB 7qv7 Chain D Binding Site BS02

Receptor Information
>7qv7 Chain D (length=448) Species: 2325 (Thermoanaerobacter kivui) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIINIDQELCTGCRRCAEVCPVDAIEGEKGKPQKINTEVCVMCGQCVQKC
SSYASYFDESITPRNVKLQERGMLDSVKEPLFAAYNLGYARQVKEALENP
QLFKVVQCAPAIRVSIAEEFGLDLGDLTPGKLVAALRRLNFDRVYDTNFG
ADLTIIEEANELVKRIKEGKDLPMFTSCCPAWVKFAEQTYPELLKHISTC
KSPQQMTGAIIKTYGAKINNVDPAKIFSVSVMPCTCKSYESDRPEMRSSG
YKDVDLVITTRELAHLMKDKGIDFATLPDEEFDSPLGNYTGAATIFGNTG
GVMEAALRTAYELITKKPIPNIDIEFVRGGEGIRTATVQVGELELKIAVV
SGLKNVIPILEDIKKNKCDLHFVEVMTCPEGCISGGGQPKLLLAYKKRKE
ALYKHDAELELRKSHENPAIKKLYEEFLGEPLGKQSHHLLHTKYTPRK
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 chain7qv7 Chain D Residue 502 [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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PDB7qv7 Membrane-anchored HDCR nanowires drive hydrogen-powered CO 2 fixation.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		C25 P26 A29 I40 C45 V46 C48 G49 C51
Binding residue
(residue number reindexed from 1)		C20 P21 A24 I35 C40 V41 C43 G44 C46
Annotation score1
Enzymatic activity
Enzyme Commision number 1.12.7.2: ferredoxin hydrogenase.
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0008901 ferredoxin hydrogenase activity
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
GO:0051536 iron-sulfur cluster binding

View graph for
Molecular Function
External links
PDB RCSB:7qv7, PDBe:7qv7, PDBj:7qv7
PDBsum7qv7
PubMed35859174
UniProtA0A097ATH7

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