6WY5
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-37 A.K.A 7-(1-phenyl-3-(((1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl)amino)propyl)-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 (A, D) | Myeloperoxidase light chain | polymer | 105 | 11974.4 | 2 | UniProt (P05164) | Homo sapiens (Human) | MPO |
| 2 | B, D (B, E) | Myeloperoxidase heavy chain | polymer | 467 | 53321.3 | 2 | UniProt (P05164) Pfam (PF03098) | Homo sapiens (Human) | MPO |
| 3 | E, G (C, G) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 4 | F, H (F, H) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-[alpha-L-fucopyranose-(1-6)]2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 1057.0 | 2 | In PDB GlyTouCan (G82348BZ) | |||
| 5 | I, N (A, D) | HEME C | non-polymer | 618.5 | 2 | Chemie (HEC) | |||
| 6 | J, L, O (A, B, D) | CHLORIDE ION | non-polymer | 35.5 | 3 | Chemie (CL) | |||
| 7 | K, Q (B, E) | CALCIUM ION | non-polymer | 40.1 | 2 | Chemie (CA) | |||
| 8 | M, R (B, E) | 7-[(1R)-1-phenyl-3-{[(1S,3S)-3-phenyl-2,3-dihydro-1H-inden-1-yl]amino}propyl]-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | non-polymer | 460.6 | 2 | Chemie (UF7) | |||
| 9 | P (E) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 1 | Chemie (NAG) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 130591.4 | |
| Branched | Number of molecules | 4 |
| Total formula weight | 2962.7 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 2565.9 | |
| All* | Total formula weight | 136120.0 |
