PDB ID: 6wy0
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-40 A.K.A 7-[(1R)-1-phenyl-3-{[(1r,4r)-4-phenylcyclohexyl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine Experimental method: X-RAY DIFFRACTION
Resolution: 2.799 Å
Deposition date: 2020-05-12
Number of assemblies: 4
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
O
label_asym_ids of the others
I, P, Q, R, S, T, U
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
CSO
Uniprot ID
P05164
￫UniprotKB
label_asym_ids of heme
O
Available structure
PDB and Modeled
RMSD of modeled structure from PDB structure
0.10 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
V
label_asym_ids of the others
AA, BA, J, K, W, X, Y, Z
Each chain information
Chain C
auth_asym_id
D
Residue indices (Uniprot)
1-104 (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
CSO
Uniprot ID
P05164
￫UniprotKB
label_asym_ids of heme
V
Available structure
PDB and Modeled
RMSD of modeled structure from PDB structure
0.10 Å
Assembly ID: 3 (author_and_software_defined_assembly)
Structural data
modeled
Oligomeric count
2
label_asym_ids of protein
E
F
label_asym_ids of heme
DA
label_asym_ids of the others
CA, EA, FA, GA, HA, L, M
Each chain information
Chain E
auth_asym_id
F
Residue indices (Uniprot)
1-104 (167-271)
Uniprot ID
P05164
￫UniprotKB
label_asym_ids of heme
None
Available structure
PDB
Chain F
auth_asym_id
G
Residue indices (Uniprot)
114-577 (279-745)
Nonstandard amino acids
CSO
Uniprot ID
P05164
￫UniprotKB
label_asym_ids of heme
DA
Available structure
PDB and Modeled
RMSD of modeled structure from PDB structure
0.10 Å
Assembly ID: 4 (author_and_software_defined_assembly)
Structural data
modeled
Oligomeric count
2
label_asym_ids of protein
G
H
label_asym_ids of heme
IA
label_asym_ids of the others
JA, KA, LA, MA, N, NA
Each chain information
Chain G
auth_asym_id
H
Residue indices (Uniprot)
1-103 (167-271)
Uniprot ID
P05164
￫UniprotKB
label_asym_ids of heme
None
Available structure
PDB
Chain H
auth_asym_id
I
Residue indices (Uniprot)
113-577 (279-745)
Nonstandard amino acids
CSO
Uniprot ID
P05164
￫UniprotKB
label_asym_ids of heme
IA
Available structure
PDB and Modeled
RMSD of modeled structure from PDB structure
0.10 Å
