Structure of PDB 5u7n Chain D Binding Site BS01

Receptor Information
>5u7n Chain D (length=114) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LERVDPTTVRQEGPWADPAQAVVQTGPNQYTVYVLAFAFGYQPNPIEVPQ
GAEIVFKITSPDVIHGFHVEGTNINVEVLPGEVSTVRYTFKRPGEYRIIC
TPHPFMFGTIVVKE
Ligand information
Ligand IDCU
InChIInChI=1S/Cu/q+2
InChIKeyJPVYNHNXODAKFH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Cu+2]
CACTVS 3.341[Cu++]
FormulaCu
NameCOPPER (II) ION
ChEMBL
DrugBankDB14552
ZINC
PDB chain5u7n Chain D Residue 1000 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5u7n Engineering a bifunctional copper site in the cupredoxin fold by loop-directed mutagenesis.
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H114 C149 H152 M155
Binding residue
(residue number reindexed from 1)		H65 C100 H103 M106
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) F86 F88
Catalytic site (residue number reindexed from 1) F37 F39
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
Cellular Component
GO:0016020 membrane

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Molecular Function
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Cellular Component
External links
PDB RCSB:5u7n, PDBe:5u7n, PDBj:5u7n
PDBsum5u7n
PubMed30310603
UniProtQ5SJ80|COX2_THET8 Cytochrome c oxidase subunit 2 (Gene Name=cbaB)

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