Brand  (β version)

PDB ID: 5QJ2

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Ligands
Code Name Style Show Link
HEM Protoporphyrin ix containing Fe PoSSuM
JXS 7-{[3-(1-methyl-1h-pyrazol-3-yl)phenyl]methoxy}-1h-[1,2,3]triazolo[4,5-B]pyridin-5-amine PoSSuM
CA Calcium ion PoSSuM
CL Chloride ion PoSSuM
NAG 2-acetamido-2-deoxy-beta-D-glucopyranose PoSSuM
FUC Alpha-L-fucopyranose PoSSuM
BMA Beta-D-mannopyranose PoSSuM
MAN Alpha-D-mannopyranose PoSSuM
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Structure summary

Code : 5QJ2   PDBj   RCSB PDB   PDBe
Header : METAL BINDING PROTEIN
Title : CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE
Release Data : 2019-02-06
Compound :
mol_id molecule chains synonym
1 Myeloperoxidase A,D,F,H MPO
ec: 1.11.2.2
mol_id molecule chains synonym
2 Myeloperoxidase B,E,G,I MPO
ec: 1.11.2.2
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Homo sapiens  (taxid:9606)
expression_system_common: Human
mol_id organism_scientific organism_common expression_system
2 Homo sapiens  (taxid:9606) Human Homo sapiens  (taxid:9606)
expression_system_common: Human
Authors : Khan, J.A.
Keywords : MYELOPEROXIDASE, METAL BINDING PROTEIN
Exp. method : X-RAY DIFFRACTION ( 2.8200 Å )
Citation :

Potent Triazolopyridine Myeloperoxidase Inhibitors.

Wurtz, N.R.,Viet, A.,Shaw, S.A.  et al.
(2018)  ACS Med Chem Lett  9 : 1175 - 1180

PubMed: 30613322
DOI: 10.1021/acsmedchemlett.8b00308

Reaction

Chain : B, E, G, I
UniProt : P05164 (PERM_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
chloride + H2O2 + H(+) = hypochlorous acid + H2O 1.11.2.2 PubMed:9922160
-
Cofactor: Evidence: Note:
Ca(2+) - Binds 1 Ca(2+) ion per monomer.
heme b - Binds 1 heme b (iron(II)-protoporphyrin IX) group covalently per monomer.