9ATA
Crystal structure of MERS 3CL protease in complex with a phenylethyl 2-pyrrolidone inhibitor
This is a non-PDB format compatible entry.
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | 3C-like proteinase nsp5 | polymer | 313 | 34314.2 | 2 | UniProt (K9N638) Pfam (PF05409) In PDB | Middle East respiratory syndrome-related coronavirus | 3CL-PRO,3CLp,nsp5 |
2 | A, B | (1S,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 596.7 | 2 | Chemie (A1AGG) | |||
3 | A, B | (1R,2S)-1-hydroxy-2-{[N-({[(2S)-5-oxo-1-(2-phenylethyl)pyrrolidin-2-yl]methoxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 596.7 | 2 | Chemie (A1AGH) | |||
4 | water | water | 18.0 | 519 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: K9N638)
PDB | External Database | Details |
---|---|---|
Met -6 | - | expression tag |
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 | 2 |
Total formula weight | 68628.5 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 2386.8 | |
All* | Total formula weight | 71015.3 |