Structure of PDB 2cal Chain A Binding Site BS01

Receptor Information
>2cal Chain A (length=153) Species: 920 (Acidithiobacillus ferrooxidans) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDTTWKEATLPQVKAMLEKDTGKVSGDTVTYSGKTVHVVAAAVLPGFPFP
SFEVHDKKNPTLEIPAGATVDVTFINTNKGFGHSFDITKKGPPYAVMPVI
DPIVAGTGFSPVPKDGKFGYTDFTWHPTAGTYYYVCQIPGMAATGMFGKI
VVK
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 chain2cal Chain A Residue 1156 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2cal Atomic Resolution Crystal Structures, Exafs, and Quantum Chemical Studies of Rusticyanin and its Two Mutants Provide Insight Into its Unusual Properties.
Resolution1.1 Å
Binding residue
(original residue number in PDB)		H1085 C1138 M1148
Binding residue
(residue number reindexed from 1)		H83 C136 M146
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

View graph for
Molecular Function
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Cellular Component
External links
PDB RCSB:2cal, PDBe:2cal, PDBj:2cal
PDBsum2cal
PubMed16503647
UniProtP0C918|RUS2_ACIFI Rusticyanin (Gene Name=rus)

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