Structure of PDB 7oih Chain D Binding Site BS02

Receptor Information
>7oih Chain D (length=571) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
CPEQDKYRTITGMCNNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTPG
VKRNGFPVALARAVSNEIVRFPTDQLTPDQERSLMFMQWGQLLDHDLDFT
PEPAAVNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSN
ITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNG
RALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREH
NRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMR
KYLPTYRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNP
RVPLSRVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLF
EQVMRIGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRN
LKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLR
DGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSY
PRDFVNCSTLPALNLASWREA
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 D Residue 801 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
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)		R197 L199 N492 V493 L596 W602
Binding residue
(residue number reindexed from 1)		R31 L33 N319 V320 L423 W429
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

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7oih, PDBe:7oih, PDBj:7oih
PDBsum7oih
PubMed36048150
UniProtP05164|PERM_HUMAN Myeloperoxidase (Gene Name=MPO)

[Back to BioLiP]