Structure of PDB 3bvd Chain B Binding Site BS01

Receptor Information
>3bvd Chain B (length=166) Species: 300852 (Thermus thermophilus HB8) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DQHKAHKAILAYEKGWLAFSLAMLFVFIALIAYTLATHTAGVIPAGKLER
VDPTTVRQEGPWADPAQAVVQTGPNQYTVYVLAFAFGYQPNPIEVPQGAE
IVFKITSPDVIHGFHVEGTNINVEVLPGEVSTVRYTFKRPGEYRIICNQY
CGLGHQNMFGTIVVKE
Ligand information
Ligand IDCUA
InChIInChI=1S/2Cu
InChIKeyALKZAGKDWUSJED-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cu][Cu]
FormulaCu2
NameDINUCLEAR COPPER ION
ChEMBL
DrugBank
ZINC
PDB chain3bvd Chain B Residue 802 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bvd Crystallographic Studies of Xe and Kr Binding within the Large Internal Cavity of Cytochrome ba3 from Thermus thermophilus: Structural Analysis and Role of Oxygen Transport Channels in the Heme-Cu Oxidases.
Resolution3.37 Å
Binding residue
(original residue number in PDB)		H114 C149 Q151 C153 H157 M160
Binding residue
(residue number reindexed from 1)		H112 C147 Q149 C151 H155 M158
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F86 F88
Catalytic site (residue number reindexed from 1) F84 F86
Enzyme Commision number 7.1.1.9: cytochrome-c oxidase.
Gene Ontology
Molecular Function
GO:0004129 cytochrome-c oxidase activity
GO:0005507 copper ion binding
GO:0046872 metal ion binding
Biological Process
GO:1902600 proton transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3bvd, PDBe:3bvd, PDBj:3bvd
PDBsum3bvd
PubMed18376849
UniProtQ5SJ80|COX2_THET8 Cytochrome c oxidase subunit 2 (Gene Name=cbaB)

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