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PDB ID: 6wxz

CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-29 A.K.A 7-(1,2-DIPHENYLETHYL)-1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE
Experimental method: X-RAY DIFFRACTION
Resolution: 2.226 Å
Deposition date: 2020-05-12

Number of assemblies: 2

Assembly ID: 1 (author_and_software_defined_assembly)
Structural data	modeled
Oligomeric count	2
label_asym_ids of protein
label_asym_ids of heme
label_asym_ids of the others	E, F, I, J, K, L, N, O, P, Q, R

Each chain information

Chain A
auth_asym_id	A
Residue indices (Uniprot)	1-103 (167-271)
Uniprot ID	P05164 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain B
auth_asym_id	B
Residue indices (Uniprot)	114-577 (279-745)
Nonstandard amino acids
Uniprot ID	P05164 ￫UniprotKB
label_asym_ids of heme	M
Available structure	PDB and Modeled
RMSD of modeled structure from PDB structure	0.09 Å

Assembly ID: 2 (author_and_software_defined_assembly)
Structural data	modeled
Oligomeric count	2
label_asym_ids of protein
label_asym_ids of heme
label_asym_ids of the others	AA, BA, G, H, S, T, U, V, W, X, Y

Each chain information

Chain C
auth_asym_id	D
Residue indices (Uniprot)	1-103 (167-271)
Uniprot ID	P05164 ￫UniprotKB
label_asym_ids of heme	None
Available structure	PDB

Chain D
auth_asym_id	E
Residue indices (Uniprot)	113-577 (279-745)
Nonstandard amino acids
Uniprot ID	P05164 ￫UniprotKB
S-S bonds	115:125
label_asym_ids of heme	Z
Available structure	PDB and Modeled
RMSD of modeled structure from PDB structure	0.08 Å