Structure of PDB 7oih Chain A Binding Site BS04

Receptor Information
>7oih Chain A (length=573) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TCPEQDKYRTITGMCNNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTP
GVKRNGFPVALARAVSNEIVRFPTDQLTPDQERSLMFMQWGQLLDHDLDF
TPEPAARVNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPG
SNITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQD
NGRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLR
EHNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTA
MRKYLPTYRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEP
NPRVPLSRVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRER
LFEQVMRIGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVL
RNLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRK
LRDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSN
SYPRDFVNCSTLPALNLASWREA
Ligand information
Ligand IDSCN
InChIInChI=1S/CHNS/c2-1-3/h3H/p-1
InChIKeyZMZDMBWJUHKJPS-UHFFFAOYSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(#N)[S-]
ACDLabs 10.04
CACTVS 3.341		[S-]C#N
FormulaC N S
NameTHIOCYANATE ION
ChEMBL
DrugBank
ZINC
PDB chain7oih Chain A Residue 806 [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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PDB7oih Native glycosylation and binding of the antidepressant paroxetine in a low-resolution crystal structure of human myeloperoxidase.
Resolution2.603 Å
Binding residue
(original residue number in PDB)		H261 R405 E408
Binding residue
(residue number reindexed from 1)		H96 R234 E237
Annotation score1
Enzymatic activity
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:7oih, PDBe:7oih, PDBj:7oih
PDBsum7oih
PubMed36048150
UniProtP05164|PERM_HUMAN Myeloperoxidase (Gene Name=MPO)

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