PDB ID: pdb_00006wxz
- 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
| Structural data | modeled |
|---|---|
| Oligomeric count | 2 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
E (NAG  NAG
, FUC FUC
), F (BMA BMA
, MAN MAN
), I (CL CL
), J (CA CA
), K (NAGNAG
), L (NAGNAG
), N (UEY UEY
), O (NAGNAG
), P (NAGNAG
), Q (MANMAN
), R (CLCL
)
|
Each chain information
Showing all 2 chains (1 with heme). Show only chains with heme
| auth_asym_id | A |
|---|---|
| Residue indices (Uniprot) | 1-103 (167-271) |
| Uniprot ID | P05164 ￫UniprotKB |
| label_asym_ids of heme | None |
| Available structure | PDB |
| Structural data | modeled |
|---|---|
| Oligomeric count | 2 |
| label_asym_ids of protein | |
| label_asym_ids of heme | |
| label_asym_ids of the others |
AA (UEYUEY
), BA (CLCL
), G (BMABMA
, MANMAN
), H (NAGNAG
, FUCFUC
), S (CLCL
), T (CACA
), U (NAGNAG
), V (MANMAN
), W (NAGNAG
), X (NAGNAG
), Y (NAGNAG
)
|
Each chain information
Showing all 2 chains (1 with heme). Show only chains with heme
| auth_asym_id | D |
|---|---|
| Residue indices (Uniprot) | 1-103 (167-271) |
| Uniprot ID | P05164 ￫UniprotKB |
| label_asym_ids of heme | None |
| Available structure | PDB |
| auth_asym_id | E |
|---|---|
| Residue indices (Uniprot) | 113-577 (279-745) |
| Missing residues | 150CYS-150CYS |
| Nonstandard amino acids |
 CSO
|
| Uniprot ID | P05164 ￫UniprotKB |
| S-S bonds | 115:125 |
| label_asym_ids of heme | Z |
| Available structure | PDB and Modeled |
| RMSD of experimental residues after energy minimization | 0.08 Å |