8CZV
Structure of MERS 3CL protease in complex with the cyclopropane based inhibitor 17d
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A | 3C-like proteinase | polymer | 313 | 34314.2 | 1 | UniProt (A0A1L2E0X0) Pfam (PF05409) UniProt (by SIFTS) (K9N7C7) In PDB | Middle East respiratory syndrome-related coronavirus | |
2 | A | [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{R},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | non-polymer | 568.7 | 1 | Chemie (P8C) | |||
3 | A | [(1~{S},2~{R})-2-[4,4-bis(fluoranyl)cyclohexyl]cyclopropyl]methyl ~{N}-[(2~{S})-1-[[(1~{S},2~{S})-1-[bis(oxidanyl)-oxidanylidene-$l^{5}-sulfanyl]-1-oxidanyl-3-[(3~{S})-2-oxidanylidenepyrrolidin-3-yl]propan-2-yl]amino]-4-methyl-1-oxidanylidene-pentan-2-yl]carbamate | non-polymer | 568.7 | 1 | Chemie (PJR) | |||
4 | water | water | 18.0 | 85 | Chemie (HOH) |
Sequence modifications
A: 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 | 1 |
Total formula weight | 34314.2 | |
Non-Polymers* | Number of molecules | 2 |
Total formula weight | 1137.3 | |
All* | Total formula weight | 35451.5 |