Structure of PDB 4c3o Chain B Binding Site BS01

Receptor Information
>4c3o Chain B (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]
KPRTPVIWLHGLECTCCTESFIRSAHPLAKDAILSLISLDYDDTIMAAAG
QQAEQALADVMREYKGNYIVAVEGNAPLNEDGMFCILAGEPFLEKLKRVS
ADAKAIIAWGSCASWGCVQAARPNPTKATPVHKLITDKPIIKVPGCPPIP
EVMSAVITYMLAFDRIPPLDRLGRPKMFYGQRIHDKCYRRAHFDAGQFVE
AWDDEGARKGYCLYKMGCKGPTTYNACSTVRWNDGVSFPIQSGHGCLGCS
EDGFWDYGSFYSR
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 chain4c3o Chain B Residue 1001 [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)		H187 C190 R192 R193 C215 L216 Y217 C221 I243
Binding residue
(residue number reindexed from 1)		H184 C187 R189 R190 C212 L213 Y214 C218 I240
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) C14 C17 C112 C146 H184 C187 C212 C218 C227 P239 C246 C249
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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