3Q3Y
Complex structure of HEVB EV93 main protease 3C with Compound 1 (AG7404)
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) | HEVB EV93 3C protease | polymer | 191 | 21395.5 | 2 | UniProt (Q5DSM6) Pfam (PF00548) | Human enterovirus B | |
| 2 | C, L (A, B) | ethyl (4R)-4-({(2S)-2-[3-{[(5-methyl-1,2-oxazol-3-yl)carbonyl]amino}-2-oxopyridin-1(2H)-yl]pent-4-ynoyl}amino)-5-[(3S)-2-oxopyrrolidin-3-yl]pentanoate | non-polymer | 525.6 | 2 | Chemie (XNV) | |||
| 3 | D, E, F, G, M... (A, B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 8 | Chemie (EDO) | |||
| 4 | H, I, Q (A, B) | HYDROGENPHOSPHATE ION | non-polymer | 96.0 | 3 | Chemie (PI) | |||
| 5 | J, K (A) | AMMONIUM ION | non-polymer | 18.0 | 2 | Chemie (NH4) | |||
| 6 | R, S (A, B) | water | water | 18.0 | 543 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 183 (UniProt: Q5DSM6)
| PDB | External Database | Details |
|---|---|---|
| Met -1 | - | expression tag |
| Lys 0 | - | expression tag |
| Val 137 | Met 1692 | SEE REMARK 999 |
| His 184 | - | expression tag |
| His 185 | - | expression tag |
| His 186 | - | expression tag |
| His 187 | - | expression tag |
| His 188 | - | expression tag |
| His 189 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 42791.0 | |
| Non-Polymers* | Number of molecules | 15 |
| Total formula weight | 1871.7 | |
| All* | Total formula weight | 44662.7 |
