Structure of PDB 6wy5 Chain B

Receptor sequence

>6wy5B (length=464) Species: 9606 (Homo sapiens)

NCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRNQ
INALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLPF
DNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLATE
LKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTY
RSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSR
VFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRI
GLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRNLKLARK
LMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLRDGDRFW
WENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSYPRDFVN
CSTLPALNLASWRE

3D structure

• PDB: 6wy5 Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
• Chain: B
• Resolution: 2.898 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): T168 F170 D172 S174 R239 E242 H336
• Catalytic site (residue number reindexed from 1): T55 F57 D59 S61 R126 E129 H223
• 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	MAN	B	F439 K505	F326 K392
BS02	HEC	B	E242 M243 F332 R333 G335 H336 I339 F407 L417 R424	E129 M130 F219 R220 G222 H223 I226 F294 L304 R311
BS03	CA	B	T168 F170 D172 S174	T55 F57 D59 S61
BS04	UF7	B	R239 E242 F366 M411	R126 E129 F253 M298

Gene Ontology

Molecular Function

• GO:0004601 peroxidase activity
• GO:0020037 heme binding

Biological Process

• GO:0006979 response to oxidative stress

External links

• PDB: RCSB:6wy5, PDBe:6wy5, PDBj:6wy5
• PDBsum: 6wy5
• PubMed: 33007547
• UniProt: P05164|PERM_HUMAN Myeloperoxidase (Gene Name=MPO)