Structure of PDB 2eb9 Chain A Binding Site BS01

Receptor Information
>2eb9 Chain A (length=150) Species: 9755 (Physeter catodon) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLSEGEWQLVLHVWAKVEADVAGHGQDILIRLFKSHPETLEKFDRFKHL
KTEAEMKASEDLKKHGVTVLTALGAILKKKGHHEAELKPLAQSHKIPIKY
LEFISEAIIHVLHSRHPGDFGADAQGAMNKALELFRKDIAAKYKELGYQG
Ligand information
Ligand IDCUS
InChIInChI=1S/C13H17NO3.Cu/c1-9(2)7-11(13(16)17)14-8-10-5-3-4-6-12(10)15;/h3-6,8-9,11,15H,7H2,1-2H3,(H,16,17);/q;+2/p-2/b14-8+;/t11-;/m0./s1
InChIKeyKPMFLJZVJBUURT-GKNZWTILSA-L
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)C[CH]1N=Cc2ccccc2O[Cu]OC1=O
OpenEye OEToolkits 2.0.7CC(C)CC1C(=O)O[Cu]2[N]1=Cc3ccccc3O2
CACTVS 3.385CC(C)C[C@@H]1N=Cc2ccccc2O[Cu]OC1=O
OpenEye OEToolkits 2.0.7CC(C)C[C@H]1C(=O)O[Cu]2[N]1=Cc3ccccc3O2
FormulaC13 H15 Cu N O3
Name(N-SALICYLIDEN-L-LEUCINATO)-COPPER(II)
ChEMBL
DrugBank
ZINC
PDB chain2eb9 Chain A Residue 1001 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2eb9 Design and Structure Analysis of Artificial Metalloproteins: Selective Coordination of His64 to Copper Complexes with Square-Planar Structure in the apo-Myoglobin Scaffold
Resolution1.8 Å
Binding residue
(original residue number in PDB)		L32 F43 H64 V68 H93
Binding residue
(residue number reindexed from 1)		L33 F44 H65 V69 H94
Annotation score1
Enzymatic activity
Enzyme Commision number 1.11.1.-
1.7.-.-
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0005344 oxygen carrier activity
GO:0016491 oxidoreductase activity
GO:0019825 oxygen binding
GO:0020037 heme binding
GO:0046872 metal ion binding
GO:0098809 nitrite reductase activity
Biological Process
GO:0015671 oxygen transport
GO:0019430 removal of superoxide radicals
Cellular Component
GO:0005737 cytoplasm
GO:0016528 sarcoplasm
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2eb9, PDBe:2eb9, PDBj:2eb9
PDBsum2eb9
PubMed17523632
UniProtP02185|MYG_PHYMC Myoglobin (Gene Name=MB)

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