Structure of PDB 6wxz Chain B

Receptor sequence

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

NCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRNQ
INALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLPF
DNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLATE
LKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPTY
RSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLSR
VFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMRI
GLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRNLKLARK
LMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLRDGDRFW
WENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSYPRDFVN
CSTLPALNLASWRE

3D structure

• PDB: 6wxz Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
• Chain: B
• Resolution: 2.226 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	CA	B	T168 F170 D172 S174	T55 F57 D59 S61
BS03	HEC	B	E242 M243 T329 F332 R333 G335 H336 I339 L406 F407 L417 R424	E129 M130 T216 F219 R220 G222 H223 I226 L293 F294 L304 R311
BS04	UEY	B	T238 R239 E242 F366 F407 L415	T125 R126 E129 F253 F294 L302	MOAD: ic50=141nM

Gene Ontology

Molecular Function

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

Biological Process

• GO:0006979 response to oxidative stress

External links

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