5QJ2
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) OMPLEX WITH COMPOUND-20 AKA 7-((3-(1-METHYL-1H-PYRAZOL-3- YL)BENZYL)OXY)- 1H-[1,2,3]TRIAZOLO[4,5-B]PYRIDIN-5-AMINE
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C, E, G (A, D, F, H) | Myeloperoxidase | polymer | 105 | 11974.4 | 4 | UniProt (P05164) | Homo sapiens (Human) | MPO |
| 2 | B, D, F, H (B, E, G, I) | Myeloperoxidase | polymer | 467 | 53289.3 | 4 | UniProt (P05164) Pfam (PF03098) | Homo sapiens (Human) | MPO |
| 3 | AA, AB, BA, BB, CA... (E, I, B, G) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 22 | Chemie (NAG) | |||
| 4 | EA, EB, MA, N (E, I, G, B) | alpha-L-fucopyranose | non-polymer | 164.2 | 4 | Chemie (FUC) | |||
| 5 | FA, FB, OA, P (E, I, G, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 6 | QA, R, X, XA (G, B, E, I) | beta-D-mannopyranose | non-polymer | 180.2 | 4 | Chemie (BMA) | |||
| 7 | RA, S, SA, T, Y... (G, B, E, I) | alpha-D-mannopyranose | non-polymer | 180.2 | 8 | Chemie (MAN) | |||
| 8 | GA, TA, U (E, G, B) | 7-{[3-(1-methyl-1H-pyrazol-3-yl)phenyl]methoxy}-1H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | non-polymer | 321.3 | 3 | Chemie (JXS) | |||
| 9 | GB, HA, UA, V (I, E, G, B) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 10 | VA, W (G, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 11 | HB, IB, JB, KB, LB... (A, B, D, E, F...) | water | water | 18.0 | 63 | Chemie (HOH) |
Sequence modifications
B, E, G, I: 112 - 578 (UniProt: P05164)
| PDB | External Database | Details |
|---|---|---|
| Ala 112 | Gly 278 | conflict |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 261054.7 | |
| Non-Polymers* | Number of molecules | 51 |
| Total formula weight | 11346.2 | |
| All* | Total formula weight | 272401.0 |
