Structure of PDB 7oih Chain E Binding Site BS01

Receptor Information
>7oih Chain E (length=572) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TCPEQDKYRTITGMCNNRRSPTLGASNRAFVRWLPAEYEDGFSLPYGWTP
GVKRNGFPVALARAVSNEIVRFPTDQLTPDQERSLMFMQWGQLLDHDLDF
TPEPAAVNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGS
NITIRNQINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDN
GRALLPFDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLRE
HNRLATELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAM
RKYLPTYRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPN
PRVPLSRVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERL
FEQVMRIGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLR
NLKLARKLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKL
RDGDRFWWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNS
YPRDFVNCSTLPALNLASWREA
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain7oih Chain E Residue 804 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		D262 T334 F336 D338 S340
Binding residue
(residue number reindexed from 1)		D97 T162 F164 D166 S168
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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