6AQJ
Crystal structures of Staphylococcus aureus ketol-acid reductoisomerase in complex with two transition state analogs that have biocidal activity.
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Ketol-acid reductoisomerase (NADP(+)) | polymer | 339 | 37755.4 | 2 | UniProt (Q2YUF3) Pfam (PF07991) Pfam (PF01450) | Staphylococcus aureus | KARI,Acetohydroxy-acid isomeroreductase,AHIR,Alpha-keto-beta-hydroxylacyl reductoisomerase,Ketol-acid reductoisomerase type 1,Ketol-acid reductoisomerase type I |
| 2 | C, D, M, N (A, B) | MAGNESIUM ION | non-polymer | 24.3 | 4 | Chemie (MG) | |||
| 3 | E, K (A, B) | oxo(propan-2-ylamino)acetic acid | non-polymer | 131.1 | 2 | Chemie (40E) | |||
| 4 | F, G, H, O (A, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 5 | I, R (A, B) | NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE | non-polymer | 745.4 | 2 | Chemie (NDP) | |||
| 6 | J, L (A, B) | N-HYDROXY-N-ISOPROPYLOXAMIC ACID | non-polymer | 147.1 | 2 | Chemie (HIO) | |||
| 7 | P, Q (B) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 2 | Chemie (EDO) | |||
| 8 | S, T (A, B) | water | water | 18.0 | 748 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 334 (UniProt: Q2YUF3)
| PDB | External Database | Details |
|---|---|---|
| His 335 | - | expression tag |
| His 336 | - | expression tag |
| His 337 | - | expression tag |
| His 338 | - | expression tag |
| His 339 | - | expression tag |
| His 340 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 75510.9 | |
| Non-Polymers* | Number of molecules | 16 |
| Total formula weight | 2637.1 | |
| All* | Total formula weight | 78148.0 |
