8E6B
Crystal structure of MERS 3CL protease in complex with a dimethyl sulfinyl benzene inhibitor
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | Orf1a protein | polymer | 313 | 34314.2 | 2 | UniProt (A0A1L2E0X0) Pfam (PF05409) UniProt (by SIFTS) (K9N7C7) In PDB | Middle East respiratory syndrome-related coronavirus | |
2 | A, B | N~2~-(ethoxycarbonyl)-N-{(1S,2S)-1-hydroxy-3-[(3S)-2-oxopyrrolidin-3-yl]-1-sulfanylpropan-2-yl}-L-leucinamide | non-polymer | 575.7 | 2 | Chemie (URR) | |||
3 | A, B | (2~{S})-2-[[(2~{S})-4-methyl-2-[[2-methyl-2-[oxidanyl(phenyl)-$l^{3}-sulfanyl]propoxy]carbonylamino]pentanoyl]amino]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propane-1-sulfonic acid | non-polymer | 575.7 | 2 | Chemie (UO9) | |||
4 | water | water | 18.0 | 311 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 306 (UniProt: A0A1L2E0X0)
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 | 2302.8 | |
All* | Total formula weight | 70931.3 |