Structure of PDB 6wyd Chain G

Receptor sequence

>6wydG (length=465) Species: 9606 (Homo sapiens)

VNCETSCVQQPPCFPLKIPPNDPRIKNQADCIPFFRSCPACPGSNITIRN
QINALTSFVDASMVYGSEEPLARNLRNMSNQLGLLAVNQRFQDNGRALLP
FDNLHDDPCLLTNRSARIPCFLAGDTRSSEMPELTSMHTLLLREHNRLAT
ELKSLNPRWDGERLYQEARKIVGAMVQIITYRDYLPLVLGPTAMRKYLPT
YRSYNDSVDPRIANVFTNAFRYGHTLIQPFMFRLDNRYQPMEPNPRVPLS
RVFFASWRVVLEGGIDPILRGLMATPAKLNRQNQIAVDEIRERLFEQVMR
IGLDLPALNMQRSRDHGLPGYNAWRRFCGLPQPETVGQLGTVLRNLKLAR
KLMEQYGTPNNIDIWMGGVSEPLKRKGRVGPLLACIIGTQFRKLRDGDRF
WWENEGVFSMQQRQALAQISLPRIICDNTGITTVSKNNIFMSNSYPRDFV
NCSTLPALNLASWRE

3D structure

• PDB: 6wyd Discovery and structure activity relationships of 7-benzyl triazolopyridines as stable, selective, and reversible inhibitors of myeloperoxidase.
• Chain: G
• Resolution: 2.55 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): T168 F170 D172 S174 R239 E242 H336
• Catalytic site (residue number reindexed from 1): T56 F58 D60 S62 R127 E130 H224
• 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	CL	G	N326 V327 W436	N214 V215 W324
BS02	HEC	G	E242 M243 T329 F332 R333 G335 H336 I339 L406 L417 L420 R424	E130 M131 T217 F220 R221 G223 H224 I227 L294 L305 L308 R312
BS03	MAN	G	F439 K505	F327 K393
BS04	7GD	G	T238 R239 E242 F366 F407	T126 R127 E130 F254 F295
BS05	CA	G	T168 F170 D172 S174	T56 F58 D60 S62

Gene Ontology

Molecular Function

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

Biological Process

• GO:0006979 response to oxidative stress

External links

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