Structure of PDB 7ni3 Chain D

Receptor sequence
>7ni3D (length=464) Species: 9606 (Homo sapiens) [Search protein sequence]
NCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRNQ
INALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLPF
DNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLATE
LKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTY
RSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSR
VFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRI
GLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRNLKLARK
LMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLRDGDRFW
WENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSYPRDFVN
CSTLPALNLASWRE
3D structure
PDB7ni3 Discovery of AZD4831, a Mechanism-Based Irreversible Inhibitor of Myeloperoxidase, As a Potential Treatment for Heart Failure with Preserved Ejection Fraction.
ChainD
Resolution2.1 Å
3D
structure
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Enzymatic activity
Enzyme Commision number 1.11.2.2: myeloperoxidase.
Interaction with ligand
Site
#
Ligand Ligand
chain
Binding residues on receptor
(original residue number in PDB)
Binding residues on receptor
(residue number reindexed from 1)
Binding affinity
BS01 HEM D E242 M243 T329 R333 G335 H336 I339 F407 L417 R424 E129 M130 T216 R220 G222 H223 I226 F294 L304 R311
BS02 UE8 D R239 F407 R126 F294
BS03 CA D T168 F170 D172 S174 T55 F57 D59 S61
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:7ni3, PDBe:7ni3, PDBj:7ni3
PDBsum7ni3
PubMed36005476
UniProtP05164|PERM_HUMAN Myeloperoxidase (Gene Name=MPO)

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