Structure of PDB 1qyb Chain A Binding Site BS01

Receptor Information
>1qyb Chain A (length=190) Species: 882 (Nitratidesulfovibrio vulgaris str. Hildenborough) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KSLKGSRTEKNILTAFAGESQARNRYNYFGGQAKKDGFVQISDIFAETAD
QEREHAKRLFKFLEGGDLEIVAAFPAGIIADTHANLIASAAGEHHEYTEM
YPSFARIAREEGYEEIARVFASIAVAEEFHEKRFLDFARNIKEGRVFLRE
QATKWRCRNCGYVHEGTGAPELCPACAHPKAHFELLGINW
Ligand information
Ligand IDFE
InChIInChI=1S/Fe/q+3
InChIKeyVTLYFUHAOXGGBS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Fe+3]
FormulaFe
NameFE (III) ION
ChEMBL
DrugBankDB13949
ZINC
PDB chain1qyb Chain A Residue 600 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1qyb X-ray Crystal Structure of Desulfovibrio vulgaris Rubrerythrin with Zinc Substituted into the [Fe(SCys)(4)] Site and Alternative Diiron Site Structures.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		E53 E94 E128 H131
Binding residue
(residue number reindexed from 1)		E52 E93 E127 H130
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005506 iron ion binding
GO:0016491 oxidoreductase activity
GO:0046872 metal ion binding
Cellular Component
GO:0005575 cellular_component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:1qyb, PDBe:1qyb, PDBj:1qyb
PDBsum1qyb
PubMed15023070
UniProtP24931|RUBY_NITV2 Rubrerythrin (Gene Name=rbr)

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