Structure of PDB 3ze7 Chain A Binding Site BS01

Receptor Information
>3ze7 Chain A (length=277) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RPPVFWLQGQGCTGCSVTLLNSVHPSIADVLLKVISLEFHPTVMAWEGEH
AIEHMRKVAEKFKGKFFLVIEGSVPVEADGKYCIIGEANHHEISMVDALK
EFGPNAAAVLAVGTCAAYGGIPAAEGSETGATAVSKFLGDNGIKTPVVNI
PGCPPHPDWIVGTVVLALDAIKKNGLEGGLAEVVKVLDSDGRPTPFFGRN
IHENCPYLDKYDEGVMSATFTDKVGCRYDLGCKGPMTMADCFERKWNGGV
NWCVQNAVCIGCVEPDFPDGKSPFYQA
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 chain3ze7 Chain A Residue 284 [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]
PDB3ze7 The Three-Dimensional Structure of [Nifese] Hydrogenase from Desulfovibrio Vulgaris Hildenborough: A Hydrogenase without a Bridging Ligand in the Active Site in its Oxidised, "as-Isolated" State.
Resolution1.95 Å
Binding residue
(original residue number in PDB)		H208 C211 Y213 L214 C232 R233 Y234 C238 P241
Binding residue
(residue number reindexed from 1)		H202 C205 Y207 L208 C226 R227 Y228 C232 P235
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) C12 C15 C115 C153 H202 C205 C226 C232 C241 C253 C259 C262
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
View graph for
Cellular Component
External links
PDB RCSB:3ze7, PDBe:3ze7, PDBj:3ze7
PDBsum3ze7
PubMed
UniProtQ72AS4

[Back to BioLiP]