Structure of PDB 1d7w Chain C Binding Site BS05

Receptor Information
>1d7w Chain C (length=466) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRN
QINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLP
FDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLAT
ELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPT
YRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLS
RVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMR
IGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRNLKLAR
KLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLRDGDRF
WWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSYPRDFV
NCSTLPALNLASWREA
Ligand information
Ligand IDBR
InChIInChI=1S/BrH/h1H/p-1
InChIKeyCPELXLSAUQHCOX-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341
OpenEye OEToolkits 1.5.0		[Br-]
FormulaBr
NameBROMIDE ION
ChEMBL
DrugBank
ZINC
PDB chain1d7w Chain C Residue 758A [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1d7w 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)		N348 I543 T544
Binding residue
(residue number reindexed from 1)		N236 I431 T432
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) R239
Catalytic site (residue number reindexed from 1) R127
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

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:1d7w, PDBe:1d7w, PDBj:1d7w
PDBsum1d7w
PubMed11705390
UniProtP05164|PERM_HUMAN Myeloperoxidase (Gene Name=MPO)

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