PDB ID: 6wy7
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-41 A.K.A 7-[1-phenyl-3-({4-phenylbicyclo[2.2.2]octan-1-yl}amino)propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Experimental method: X-RAY DIFFRACTION
Resolution: 2.089 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
A
B
label_asym_ids of heme
H
label_asym_ids of the others
E, G, I, J, K, L, M
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)
113-577 (279-745)
Nonstandard amino acids
CSO
Uniprot ID
P05164
￫UniprotKB
label_asym_ids of heme
H
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
C
D
label_asym_ids of heme
N
label_asym_ids of the others
F, O, P, Q, R
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)
114-577 (279-745)
Nonstandard amino acids
CSO
Uniprot ID
P05164
￫UniprotKB
label_asym_ids of heme
N
Available structure
PDB and Modeled
RMSD of modeled structure from PDB structure
0.09 Å
