Structure of PDB 3hq9 Chain A Binding Site BS03

Receptor Information
>3hq9 Chain A (length=312) Species: 35554 (Geobacter sulfurreducens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADELQQRAQGLFKPVPAKAPTLKGNPASPVKVELGKMLYFDPRLSASHLI
SCNTCHNVGLGGGDLQATSTGHGWQKGPRNAPTVLNSVFNTAQFWDGRAK
DLAEQAKGPVQAPVEMNNTPDQVVKTLNSIPDYVALFKKAFPGEKDPVTF
DNMAKAIEVFEATLITPDSPFDQYLKGKKKALDGKQTAGLKLFLDKGCVA
CHGGLNLGGTGYFPFGVVEGRFAVTNTAKDEYVFRAPSLRNVAITYPYFH
SGVVWSLKEAVAVMGSAQFGIKLSDDESEAIAAFLGSLTGKQPKVVYPIM
PASTDATPRPRL
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 chain3hq9 Chain A Residue 402 [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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PDB3hq9 CcpA from Geobacter sulfurreducens is a basic di-heme cytochrome c peroxidase.
Resolution1.52 Å
Binding residue
(original residue number in PDB)		N101 T278 P280
Binding residue
(residue number reindexed from 1)		N80 T245 P247
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E136
Catalytic site (residue number reindexed from 1) E115
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:3hq9, PDBe:3hq9, PDBj:3hq9
PDBsum3hq9
PubMed19735665
UniProtQ749D0

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