Structure of PDB 2cak Chain A Binding Site BS01

Receptor Information
>2cak Chain A (length=154) Species: 920 (Acidithiobacillus ferrooxidans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALDTTWKEATLPQVKAMLQKDTGKVSGDTVTYSGKTVHVVAAAVLPGFPF
PSFEVHGKKNPTLDIPGGATVDVTFINTNKGFGHSFDITQKVPPYAVMPV
IDPIVAGTGFSPVPKDGKFGYTNFTWHPTAGTYYYVCQIPGHAATGMFGK
IIVK
Ligand information
Ligand IDCU1
InChIInChI=1S/Cu/q+1
InChIKeyVMQMZMRVKUZKQL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Cu+]
FormulaCu
NameCOPPER (I) ION
ChEMBL
DrugBank
ZINC
PDB chain2cak Chain A Residue 156 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cak Atomic Resolution Crystal Structures, Exafs, and Quantum Chemical Studies of Rusticyanin and its Two Mutants Provide Insight Into its Unusual Properties.
Resolution1.27 Å
Binding residue
(original residue number in PDB)		H85 C138 H143
Binding residue
(residue number reindexed from 1)		H84 C137 H142
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005507 copper ion binding
GO:0009055 electron transfer activity
GO:0046872 metal ion binding
Cellular Component
GO:0042597 periplasmic space

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Molecular Function
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Cellular Component
External links
PDB RCSB:2cak, PDBe:2cak, PDBj:2cak
PDBsum2cak
PubMed16503647
UniProtP0C918|RUS2_ACIFI Rusticyanin (Gene Name=rus)

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