Structure of PDB 6z8o Chain C Binding Site BS03

Receptor Information
>6z8o Chain C (length=278) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERPPVFWLQGQGCTGCSVTLLNSVHPSIADVLLKVISLEFHPTVMAWEGE
HAIEHMRKVAEKFKGKFFLVIEGSVPVEADGKYCIIGEANHHEISMVDAL
KEFGPNAAAVLAVGTCAAYGGIPAAEGSETGATAVSKFLGDNGIKTPVVN
IPGCPPHPDWIVGTVVLALDAIKKNGLEGGLAEVVKVLDSDGRPTPFFGR
NIHENCPYLDKYDEGVMSATFTDKVGCRYDLGCKGPMTMADCFERKWNGG
VNWCVQNAVCIGCVEPDFPDGKSPFYQA
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 chain6z8o Chain C Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6z8o Exploring the gas access routes in a [NiFeSe] hydrogenase using crystals pressurized with krypton and oxygen.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		C18 G20 C21 E77 G119 C121 C159 P160
Binding residue
(residue number reindexed from 1)		C13 G15 C16 E72 G114 C116 C154 P155
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) C18 C21 C121 C159 H208 C211 C232 C238 C247 C259 C265 C268
Catalytic site (residue number reindexed from 1) C13 C16 C116 C154 H203 C206 C227 C233 C242 C254 C260 C263
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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:6z8o, PDBe:6z8o, PDBj:6z8o
PDBsum6z8o
PubMed32865640
UniProtQ72AS4

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