Structure of PDB 1dnw Chain A Binding Site BS01

Receptor Information
>1dnw Chain A (length=104) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPEQDKYRTITGMCNNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPG
VKRNGFPVALARAVSNEIVRFPTDQLTPDQERSLMFMQWGQLLDHDLDFT
PEPA
Ligand information
Ligand IDCYN
InChIInChI=1S/CN/c1-2/q-1
InChIKeyXFXPMWWXUTWYJX-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[C-]#N
FormulaC N
NameCYANIDE ION
ChEMBL
DrugBank
ZINC
PDB chain1dnw Chain A Residue 107 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1dnw Human myeloperoxidase: structure of a cyanide complex and its interaction with bromide and thiocyanate substrates at 1.9 A resolution.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		Q91 H95
Binding residue
(residue number reindexed from 1)		Q91 H95
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) Q91 D94 H95 D96
Catalytic site (residue number reindexed from 1) Q91 D94 H95 D96
Enzyme Commision number 1.11.2.2: myeloperoxidase.
Gene Ontology
Molecular Function
GO:0004601 peroxidase activity
GO:0020037 heme binding
Biological Process
GO:0006979 response to oxidative stress

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Molecular Function
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Biological Process
External links
PDB RCSB:1dnw, PDBe:1dnw, PDBj:1dnw
PDBsum1dnw
PubMed11705390
UniProtP05164|PERM_HUMAN Myeloperoxidase (Gene Name=MPO)

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