7LAG
CRYSTAL STRUCTURE OF MYELOPEROXIDASE SUBFORM C (MPO) COMPLEX WITH Compound-14 AKA 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[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 light chain | polymer | 105 | 11974.4 | 4 | UniProt (P05164) | Homo sapiens (Human) | MPO |
| 2 | B, D, F, H (B, E, G, I) | Isoform H14 of Myeloperoxidase | polymer | 466 | 53218.2 | 4 | UniProt (P05164) Pfam (PF03098) | Homo sapiens (Human) | MPO |
| 3 | I, L (C, L) | 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 | J, K, M, N (J, K, M, N) | 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 | 4 | In PDB GlyTouCan (G82348BZ) | |||
| 5 | CA, O, S, Y (G, A, B, F) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 6 | EA, P, U, Z (I, B, E, G) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 7 | AA, FA, GA, Q, V (G, I, B, E) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 5 | Chemie (NAG) | |||
| 8 | BA, HA, R, W (G, I, B, E) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 9 | DA, IA, T, X (G, I, B, E) | 7-({1-[(3-phenoxyphenyl)methyl]-1H-pyrazol-4-yl}methyl)-3H-[1,2,3]triazolo[4,5-b]pyridin-5-amine | non-polymer | 397.4 | 4 | Chemie (XSD) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 260770.4 | |
| Branched | Number of molecules | 6 |
| Total formula weight | 5076.7 | |
| Non-Polymers* | Number of molecules | 21 |
| Total formula weight | 5463.8 | |
| All* | Total formula weight | 271310.9 |
