4BTY
Crystal structure of human vascular adhesion protein-1 in complex with pyridazinone inhibitors
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | MEMBRANE PRIMARY AMINE OXIDASE | polymer | 737 | 81896.9 | 2 | UniProt (Q16853) Pfam (PF02727) Pfam (PF02728) Pfam (PF01179) | HOMO SAPIENS (HUMAN) | COPPER AMINE OXIDASE, HPAO, SEMICARBAZIDE-SENSITIVE AMINE OXIDASE, SSAO, VASCULAR ADHESION PROTEIN 1, VAP-1 |
| 2 | C, E (C, E) | 2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 424.4 | 2 | In PDB GlyTouCan (G42666HT) | |||
| 3 | D (D) | alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose | branched | 910.8 | 1 | In PDB GlyTouCan (G22768VO) | |||
| 4 | F, N (A, B) | COPPER (II) ION | non-polymer | 63.5 | 2 | Chemie (CU) | |||
| 5 | G, H, O, P (A, B) | CALCIUM ION | non-polymer | 40.1 | 4 | Chemie (CA) | |||
| 6 | I, J, K, L, Q... (A, B) | 2-acetamido-2-deoxy-beta-D-glucopyranose | non-polymer | 221.2 | 6 | Chemie (NAG) | |||
| 7 | M, S (A, B) | 5-[4-(4-methylpiperazin-1-yl)phenylamino]-2-(4-chlorophenyl)-6-(1H-1,2,4-triazol-5-yl)-3(2H)-pyridazinone | non-polymer | 462.9 | 2 | Chemie (JWF) | |||
| 8 | T, U (A, B) | water | water | 18.0 | 40 | Chemie (HOH) |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 163793.7 | |
| Branched | Number of molecules | 3 |
| Total formula weight | 1759.6 | |
| Non-Polymers* | Number of molecules | 14 |
| Total formula weight | 2540.5 | |
| All* | Total formula weight | 168093.9 |
