Structure of PDB 4c3o Chain D Binding Site BS01

Receptor Information
>4c3o Chain D (length=262) 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
DGFWDYGSFYSR
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 D Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		H183 C186 R188 R189 C211 L212 Y213 C217 I239
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
View graph for
Cellular Component
External links
PDB RCSB:4c3o, PDBe:4c3o, PDBj:4c3o
PDBsum4c3o
PubMed24428762
UniProtQ8ZPG9

[Back to BioLiP]