7T3Y
Structure of MERS 3CL protease in complex with inhibitor 8c
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 | polymer | 313 | 34314.2 | 2 | UniProt (K9N638) Pfam (PF05409) In PDB | Middle East respiratory syndrome-related coronavirus (isolate United Kingdom/H123990006/2012) (MERS-CoV Betacoronavirus England 1) | 3CL-PRO,3CLp,nsp5 |
2 | A, B | (1R,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 588.7 | 2 | Chemie (F5L) | |||
3 | A, B | (1S,2S)-1-hydroxy-2-{[N-({[7-(2-methylpropanoyl)-7-azaspiro[3.5]nonan-2-yl]oxy}carbonyl)-L-leucyl]amino}-3-[(3S)-2-oxopyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 588.7 | 2 | Chemie (F8C) | |||
4 | water | water | 18.0 | 189 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: K9N638)
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 | 2 |
Total formula weight | 68628.5 | |
Non-Polymers* | Number of molecules | 4 |
Total formula weight | 2354.9 | |
All* | Total formula weight | 70983.3 |