Danish
PDB ID:  pdb_00006wy0
  • 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
label_asym_ids of heme
label_asym_ids of the others I (NAGStructure of NAGNAG , BMAStructure of BMABMA , MANStructure of MANMAN , FUCStructure of FUCFUC ), P (NAGStructure of NAGNAG ), Q (NAGStructure of NAGNAG ), R (CAStructure of CACA ), S (CLStructure of CLCL ), T (CLStructure of CLCL ), U (UFAStructure of UFAUFA )
Each chain information

Showing all 2 chains (1 with heme). Show only chains with heme

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 heme  
auth_asym_id B
Residue indices (Uniprot) 114-577 (279-745)
Missing residues 150CYS-150CYS
Nonstandard amino acids Structure of CSOCSO
Uniprot ID P05164 ￫UniprotKB
label_asym_ids of heme O
Available structure PDB and Modeled
RMSD of experimental residues after energy minimization 0.10 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 (CLStructure of CLCL ), BA (UFAStructure of UFAUFA ), J (NAGStructure of NAGNAG ), K (NAGStructure of NAGNAG , BMAStructure of BMABMA , MANStructure of MANMAN , FUCStructure of FUCFUC ), W (CLStructure of CLCL ), X (NAGStructure of NAGNAG ), Y (CAStructure of CACA ), Z (CLStructure of CLCL )
Each chain information

Showing all 2 chains (1 with heme). Show only chains with heme

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 heme  
auth_asym_id E
Residue indices (Uniprot) 113-577 (279-745)
Missing residues 150CYS-150CYS
Nonstandard amino acids Structure of CSOCSO
Uniprot ID P05164 ￫UniprotKB
label_asym_ids of heme V
Available structure PDB and Modeled
RMSD of experimental residues after energy minimization 0.10 Å
Assembly ID:  3  (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 CA (CLStructure of CLCL ), EA (NAGStructure of NAGNAG ), FA (CAStructure of CACA ), GA (CLStructure of CLCL ), HA (UFAStructure of UFAUFA ), L (NAGStructure of NAGNAG ), M (NAGStructure of NAGNAG , BMAStructure of BMABMA , MANStructure of MANMAN , FUCStructure of FUCFUC )
Each chain information

Showing all 2 chains (1 with heme). Show only chains with heme

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 heme  
auth_asym_id G
Residue indices (Uniprot) 114-577 (279-745)
Missing residues 150CYS-150CYS
Nonstandard amino acids Structure of CSOCSO
Uniprot ID P05164 ￫UniprotKB
label_asym_ids of heme DA
Available structure PDB and Modeled
RMSD of experimental residues after energy minimization 0.09 Å
Assembly ID:  4  (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 JA (NAGStructure of NAGNAG ), KA (NAGStructure of NAGNAG ), LA (CAStructure of CACA ), MA (CLStructure of CLCL ), N (NAGStructure of NAGNAG , BMAStructure of BMABMA , MANStructure of MANMAN , FUCStructure of FUCFUC ), NA (UFAStructure of UFAUFA )
Each chain information

Showing all 2 chains (1 with heme). Show only chains with heme

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 heme  
auth_asym_id I
Residue indices (Uniprot) 113-577 (279-745)
Missing residues 150CYS-150CYS
Nonstandard amino acids Structure of CSOCSO
Uniprot ID P05164 ￫UniprotKB
label_asym_ids of heme IA
Available structure PDB and Modeled
RMSD of experimental residues after energy minimization 0.10 Å