5WKM
2.25 A resolution structure of MERS 3CL protease in complex with piperidine-based peptidomimetic inhibitor 21
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | Orf1a protein | polymer | 313 | 34314.2 | 1 | UniProt (A0A1L2E0X0) Pfam (PF05409) UniProt (by SIFTS) (K9N638) | Middle East respiratory syndrome-related coronavirus | |
| 2 | B (A) | (1S,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 606.7 | 1 | Chemie (N02) | |||
| 3 | C (A) | (1R,2S)-2-{[N-({[1-(tert-butoxycarbonyl)-4-ethylpiperidin-4-yl]oxy}carbonyl)-L-leucyl]amino}-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 606.7 | 1 | Chemie (B6Y) | |||
| 4 | D (A) | water | water | 18.0 | 69 | Chemie (HOH) |
Sequence modifications
A: 1 - 306 (UniProt: A0A1L2E0X0)
| PDB | External Database | Details |
|---|---|---|
| Met -6 | - | initiating methionine |
| His -5 | - | expression tag |
| His -4 | - | expression tag |
| His -3 | - | expression tag |
| His -2 | - | expression tag |
| His -1 | - | expression tag |
| His 0 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 34314.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 1213.5 | |
| All* | Total formula weight | 35527.7 |
