Structure of PDB 1frf Chain S Binding Site BS01

Receptor Information
>1frf Chain S (length=261) Species: 878 (Solidesulfovibrio fructosivorans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KHRPSVVWLHNAECTGCTEAAIRTIKPYIDALILDTISLDYQETIMAAAG
ETSEAALHEALEGKDGYYLVVEGGLPTIDGGQWGMVAGHPMIETCKKAAA
KAKGIICIGTCSPYGGVQKAKPNPSQAKGVSEALGVKTINIPGCPPNPIN
FVGAVVHVLTKGIPDLDENGRPKLFYGELVHDNCPRLPHFEASEFAPSFD
SEEAKKGFCLYELGCKGPVTYNNCPKVLFNQVNWPVQAGHPCLGCSEPDF
WDTMTPFYEQG
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 chain1frf Chain S Residue 265 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1frf 3Fe-4S] to [4Fe-4S] cluster conversion in Desulfovibrio fructosovorans [NiFe] hydrogenase by site-directed mutagenesis
Resolution2.7 Å
Binding residue
(original residue number in PDB)		H184 C187 R189 L190 F193 C212 L213 Y214 C218 P221
Binding residue
(residue number reindexed from 1)		H181 C184 R186 L187 F190 C209 L210 Y211 C215 P218
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C147 C212 C218 C227
Catalytic site (residue number reindexed from 1) C144 C209 C215 C224
Enzyme Commision number 1.12.2.1: cytochrome-c3 hydrogenase.
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0051536 iron-sulfur cluster binding
Cellular Component
GO:0009375 ferredoxin hydrogenase complex

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Molecular Function
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Cellular Component
External links
PDB RCSB:1frf, PDBe:1frf, PDBj:1frf
PDBsum1frf
PubMed9751716
UniProtP18187|PHNS_SOLFR Periplasmic [NiFe] hydrogenase small subunit (Gene Name=hydA)

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