1N1L
CRYSTAL STRUCTURE OF HCV NS3 PROTEASE DOMAIN:NS4A PEPTIDE COMPLEX WITH COVALENTLY BOUND INHIBITOR (GW472467X)
Entity
Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
1 | A, B | HCV NS3 SERINE PROTEASE | polymer | 198 | 21045.0 | 2 | UniProt (P27958) Pfam (PF02907) In PDB | Hepatitis C virus | |
2 | C, D | NS4A COFACTOR | polymer | 23 | 2394.0 | 2 | GenBank (5748511) Pfam (PF01006) UniProt (by SIFTS) (O39914) In PDB | ||
3 | A, B | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
4 | A | {1-[2-(1-FORMYL-PROPYL)-3-METHANESULFONYLAMINO-PYRROLIDINE-1-CARBONYL]-2-METHYL-PROPYL}-CARBAMIC ACID TERT-BUTYL ESTER | non-polymer | 433.6 | 1 | Chemie (TRL) | |||
5 | water | water | 18.0 | 107 | Chemie (HOH) |
Sequence modifications
A, B: 1 - 180 (UniProt: P27958)
C, D: 21 - 39 (GenBank: 5748511)
PDB | External Database | Details |
---|---|---|
Ala -9 | - | cloning artifact |
Ser -8 | - | cloning artifact |
Met -7 | - | cloning artifact |
Thr -6 | - | cloning artifact |
Gly -5 | - | cloning artifact |
Gly -4 | - | cloning artifact |
Gln -3 | - | cloning artifact |
Gln -2 | - | cloning artifact |
Met -1 | - | cloning artifact |
Gly 0 | - | cloning artifact |
Thr 164 | Ala 1190 | engineered mutation |
Gly 181 | - | expression tag |
Ser 182 | - | expression tag |
His 183 | - | expression tag |
His 184 | - | expression tag |
His 185 | - | expression tag |
His 186 | - | expression tag |
His 187 | - | expression tag |
His 188 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Lys 19 | - | cloning artifact |
Lys 20 | - | cloning artifact |
Lys 40 | - | cloning artifact |
Lys 41 | - | cloning artifact |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 4 |
Total formula weight | 46878.0 | |
Non-Polymers* | Number of molecules | 3 |
Total formula weight | 564.4 | |
All* | Total formula weight | 47442.4 |