4OQ0
Crystal structure of stabilized TEM-1 beta-lactamase variant v.13 carrying R164S/G238S mutation in complex with boron-based inhibitor EC25
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A | TEM-94 ES-beta-lactamase | polymer | 263 | 28730.7 | 1 | UniProt (Q8KMX3) Pfam (PF00144) Pfam (PF13354) In PDB | Escherichia coli | |
| 2 | A | 3-[(2R)-2-{[(2R)-2-amino-2-phenylacetyl]amino}-2-(dihydroxyboranyl)ethyl]benzoic acid | non-polymer | 342.2 | 1 | Chemie (2UL) | |||
| 3 | A | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 4 | A | DI(HYDROXYETHYL)ETHER | non-polymer | 106.1 | 1 | Chemie (PEG) | |||
| 5 | A | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | water | water | 18.0 | 283 | Chemie (HOH) |
Sequence modifications
A: 25 - 287 (UniProt: Q8KMX3)
| PDB | External Database | Details |
|---|---|---|
| Gly 41 | Ala 40 | ENGINEERED MUTATION |
| Ala 51 | Asn 50 | ENGINEERED MUTATION |
| Glu 103 | Lys 102 | ENGINEERED MUTATION |
| Gly 119 | Arg 118 | ENGINEERED MUTATION |
| Ser 163 | Arg 162 | ENGINEERED MUTATION |
| Val 183 | Ala 182 | ENGINEERED MUTATION |
| Ala 200 | Leu 199 | ENGINEERED MUTATION |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 28730.7 | |
| Non-Polymers* | Number of molecules | 4 |
| Total formula weight | 550.4 | |
| All* | Total formula weight | 29281.1 |
