4K6T
Crystal structure of Ad37 fiber knob in complex with trivalent sialic acid inhibitor ME0385
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B, C, D, E... (A, B, C, E, F...) | Fiber protein | polymer | 194 | 21716.5 | 6 | UniProt (Q64823) Pfam (PF00541) | Human adenovirus 37 | |
| 2 | AA, DB, G, HA, P... (C, G, A, E, B...) | N-acetyl-alpha-neuraminic acid | non-polymer | 309.3 | 6 | Chemie (SIA) | |||
| 3 | AB, BA, BB, CB, FA... (G, C, E, A, B...) | ZINC ION | non-polymer | 65.4 | 14 | Chemie (ZN) | |||
| 4 | EB, IA, JA, K, KA... (G, E, A, B, F) | ACETATE ION | non-polymer | 59.0 | 9 | Chemie (ACT) | |||
| 5 | CA, LA, M, MA, N... (C, E, A, F, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 13 | Chemie (EDO) | |||
| 6 | O (A) | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
| 7 | Q (B) | 2,2',2''-[nitrilotris(methanediyl-1H-1,2,3-triazole-4,1-diyl)]triethanol | non-polymer | 392.4 | 1 | Chemie (1P0) | |||
| 8 | DA, EA, QA, YA, Z... (C, E, F, B) | MAGNESIUM ION | non-polymer | 24.3 | 6 | Chemie (MG) | |||
| 9 | FB, GB, PA (G, E) | GLYCEROL | non-polymer | 92.1 | 3 | Chemie (GOL) | |||
| 10 | HB (G) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 11 | IB, JB, KB, LB, MB... (A, B, C, E, F...) | water | water | 18.0 | 822 | Chemie (HOH) |
Sequence modifications
A, B, C, E, F, G: 177 - 365 (UniProt: Q64823)
| PDB | External Database | Details |
|---|---|---|
| Gly 172 | - | expression tag |
| Ala 173 | - | expression tag |
| Met 174 | - | expression tag |
| Gly 175 | - | expression tag |
| Ser 176 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 6 |
| Total formula weight | 130299.2 | |
| Non-Polymers* | Number of molecules | 54 |
| Total formula weight | 4999.7 | |
| All* | Total formula weight | 135298.9 |
