2VEK
Structure-based enzyme engineering efforts with an inactive monomeric TIM variant: the importance of a single point mutation for generating an active site with suitable binding properties
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | TRIOSEPHOSPHATE ISOMERASE | polymer | 238 | 25659.3 | 2 | UniProt (P04789) Pfam (PF00121) In PDB | TRYPANOSOMA BRUCEI BRUCEI | TIM, TRIOSE-PHOSPHATE ISOMERASE |
| 2 | A, B | CITRIC ACID | non-polymer | 192.1 | 2 | Chemie (CIT) | |||
| 3 | B | TERTIARY-BUTYL ALCOHOL | non-polymer | 74.1 | 1 | Chemie (TBU) | |||
| 4 | B | 3-(BUTYLSULPHONYL)-PROPANOIC ACID | non-polymer | 194.2 | 1 | Chemie (ASF) | |||
| 5 | water | water | 18.0 | 375 | Chemie (HOH) |
Sequence modifications
A, B: 15 - 72 (UniProt: P04789)
A, B: 80 - 234 (UniProt: P04789)
| PDB | External Database | Details |
|---|---|---|
| Ser 15 | Asn 15 | conflict |
| Pro 18 | Gln 18 | conflict |
| Asp 19 | Gln 19 | conflict |
| Gly 68 | Ile 68 | conflict |
| Asn 69 | Ala 69 | conflict |
| Ala 70 | Lys 70 | conflict |
| Asp 71 | Ser 71 | conflict |
| Ala 72 | Gly 72 | conflict |
| PDB | External Database | Details |
|---|---|---|
| Ala 81 | Pro 81 | conflict |
| Ser 82 | Ile 82 | conflict |
| Trp 100 | Ala 100 | conflict |
| Ala 233 | Val 233 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 51318.6 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 652.6 | |
| All* | Total formula weight | 51971.2 |
