Structure of PDB 7oih Chain A Binding Site BS05

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 ID8PR
InChIInChI=1S/C19H20FNO3/c20-15-3-1-13(2-4-15)17-7-8-21-10-14(17)11-22-16-5-6-18-19(9-16)24-12-23-18/h1-6,9,14,17,21H,7-8,10-12H2/t14-,17-/m0/s1
InChIKeyAHOUBRCZNHFOSL-YOEHRIQHSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1cc(ccc1C2CCNCC2COc3ccc4c(c3)OCO4)F
CACTVS 3.370Fc1ccc(cc1)[CH]2CCNC[CH]2COc3ccc4OCOc4c3
CACTVS 3.370Fc1ccc(cc1)[C@@H]2CCNC[C@H]2COc3ccc4OCOc4c3
OpenEye OEToolkits 1.7.2c1cc(ccc1[C@@H]2CCNC[C@H]2COc3ccc4c(c3)OCO4)F
ACDLabs 12.01Fc1ccc(cc1)C2CCNCC2COc3ccc4OCOc4c3
FormulaC19 H20 F N O3
NameParoxetine;
(3S,4R)-3-[(1,3-benzodioxol-5-yloxy)methyl]-4-(4-fluorophenyl)piperidine
ChEMBLCHEMBL490
DrugBankDB00715
ZINCZINC000000527386
PDB chain7oih Chain A Residue 807 [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)		E268 P386 T404 V576
Binding residue
(residue number reindexed from 1)		E103 P215 T233 V405
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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