Structure of PDB 3qvd Chain C Binding Site BS01

Receptor Information
>3qvd Chain C (length=170) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VVKRTMTKKFLEEAFAGESMAHMRYLIFAEKAEQEGFPNIAKLFRAIAYA
EFVHAKNHFIALGKLGKTPENLQMGIEGETFEVEEMYPVYNKAAEFQGEK
EAVRTTHYALEAEKIHAELYRKAKEKAEKGEDIEIKKVYICPICGYTAVD
EAPEYCPVCGAPKEKFVVFE
Ligand information
Ligand IDPEO
InChIInChI=1S/H2O2/c1-2/h1-2H
InChIKeyMHAJPDPJQMAIIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 12.01
CACTVS 3.385
OpenEye OEToolkits 2.0.7		OO
FormulaH2 O2
NameHYDROGEN PEROXIDE
ChEMBLCHEMBL71595
DrugBankDB11091
ZINC
PDB chain3qvd Chain C Residue 172 [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]
PDB3qvd A cryo-crystallographic time course for peroxide reduction by rubrerythrin from Pyrococcus furiosus.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		E80 E83 E114
Binding residue
(residue number reindexed from 1)		E79 E82 E113
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:3qvd, PDBe:3qvd, PDBj:3qvd
PDBsum3qvd
PubMed21647777
UniProtQ9UWP7

[Back to BioLiP]