Structure of PDB 4c3o Chain F Binding Site BS03

Receptor Information
>4c3o Chain F (length=263) Species: 99287 (Salmonella enterica subsp. enterica serovar Typhimurium str. LT2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PRTPVIWLHGLECTCCTESFIRSAHPLAKDAILSLISLDYDDTIMAAAGQ
QAEQALADVMREYKGNYIVAVEGNAPLNEDGMFCILAGEPFLEKLKRVSA
DAKAIIAWGSCASWGCVQAARPNPTKATPVHKLITDKPIIKVPGCPPIPE
VMSAVITYMLAFDRIPPLDRLGRPKMFYGQRIHDKCYRRAHFDAGQFVEA
WDDEGARKGYCLYKMGCKGPTTYNACSTVRWNDGVSFPIQSGHGCLGCSE
DGFWDYGSFYSRA
Ligand information
Ligand IDF3S
InChIInChI=1S/3Fe.4S
InChIKeyFCXHZBQOKRZXKS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385S1[Fe]S[Fe]2S[Fe]1S2
OpenEye OEToolkits 2.0.7S1[Fe]2S[Fe]3[S]2[Fe]1S3
FormulaFe3 S4
NameFE3-S4 CLUSTER
ChEMBL
DrugBank
ZINC
PDB chain4c3o Chain F Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4c3o How the Structure of the Large Subunit Controls Function in an Oxygen-Tolerant [Nife]-Hydrogenase.
Resolution3.2 Å
Binding residue
(original residue number in PDB)		I186 C230 W235 P242 C249 L250 C252
Binding residue
(residue number reindexed from 1)		I182 C226 W231 P238 C245 L246 C248
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C17 C20 C115 C149 H187 C190 C215 C221 C230 P242 C249 C252
Catalytic site (residue number reindexed from 1) C13 C16 C111 C145 H183 C186 C211 C217 C226 P238 C245 C248
Enzyme Commision number 1.12.99.6: hydrogenase (acceptor).
Gene Ontology
Molecular Function
GO:0008901 ferredoxin hydrogenase activity
GO:0051536 iron-sulfur cluster binding
Cellular Component
GO:0009375 ferredoxin hydrogenase complex

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:4c3o, PDBe:4c3o, PDBj:4c3o
PDBsum4c3o
PubMed24428762
UniProtQ8ZPG9

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