Structure of PDB 3hq7 Chain A Binding Site BS03

Receptor Information
>3hq7 Chain A (length=304) Species: 35554 (Geobacter sulfurreducens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FAADELQQRAQGLFKPVPAKAPTLKGNPASPVKVELGKMLYFDPRLSASH
LISCNTCHNVGLGGGDLQATSTGHKWQQGPINAPTVLNSVFNTAAKGPVQ
ASVEMNNTPDQVVKTLNSIPDYVALFKKAFPGEKDPVTFDNMAKAIEVFE
ATLITPDSPFDQYLKGKKKALDGKQTAGLKLFLDKGCVACHGGLNLGGTG
YFPFGVVEKPKGRFAVTNTAKDEYVFRAPSLRNVAITYPYFHSGVVWSLK
EAVAVMGSAQFGIKLSDDESEAIAAFLGSLTGKQPKVVYPIMPASTDATP
RPRL
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3hq7 Chain A Residue 403 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB3hq7 CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase.
Resolution2.31 Å
Binding residue
(original residue number in PDB)		N101 T278 P280
Binding residue
(residue number reindexed from 1)		N82 T237 P239
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E136
Catalytic site (residue number reindexed from 1) E104
Enzyme Commision number 1.11.1.5: cytochrome-c peroxidase.
Gene Ontology
Molecular Function
GO:0009055 electron transfer activity
GO:0016491 oxidoreductase activity
GO:0020037 heme binding

View graph for
Molecular Function
External links
PDB RCSB:3hq7, PDBe:3hq7, PDBj:3hq7
PDBsum3hq7
PubMed19735665
UniProtQ749D0

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