PDB ID:  pdb_00006wy7
  • 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
label_asym_ids of heme
label_asym_ids of the others E (NAGStructure of NAGNAG , BMAStructure of BMABMA , MANStructure of MANMAN , FUCStructure of FUCFUC ), G (CLStructure of CLCL ), I (NAGStructure of NAGNAG ), J (NAGStructure of NAGNAG ), K (CAStructure of CACA ), L (CLStructure of CLCL ), M (UFDStructure of UFDUFD )
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) 113-577 (279-745)
Missing residues 150CYS-150CYS
Nonstandard amino acids Structure of CSOCSO
Uniprot ID P05164 →UniprotKB
label_asym_ids of heme H
Available structure PDB and Modeled
RMSD of experimental residues after energy minimization 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 F (NAGStructure of NAGNAG , BMAStructure of BMABMA , MANStructure of MANMAN , FUCStructure of FUCFUC ), O (NAGStructure of NAGNAG ), P (CAStructure of CACA ), Q (CLStructure of CLCL ), R (UFDStructure of UFDUFD )
Each chain information

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

Chain C  
auth_asym_id D
Residue indices (Uniprot) 1-103 (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) 114-577 (279-745)
Missing residues 150CYS-150CYS
Nonstandard amino acids Structure of CSOCSO
Uniprot ID P05164 →UniprotKB
label_asym_ids of heme N
Available structure PDB and Modeled
RMSD of experimental residues after energy minimization 0.10 Å