2XCS
The 2.1A crystal structure of S. aureus Gyrase complex with GSK299423 and DNA
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | B, D | DNA GYRASE SUBUNIT B, DNA GYRASE SUBUNIT A | polymer | 692 | 78109.0 | 2 | UniProt (P66937) UniProt (Q99XG5) Pfam (PF01751) Pfam (PF00986) Pfam (PF00521) In PDB | STAPHYLOCOCCUS AUREUS | |
| 2 | E, F | 5'-5UA*D(GP*CP*CP*GP*TP*AP*GP*GP*GP*CP*CP *CP*TP*AP*CP*GP*GP*CP*T)-3' | polymer | 20 | 6100.0 | 2 | SYNTHETIC CONSTRUCT | ||
| 3 | B, D, E | MANGANESE (II) ION | non-polymer | 54.9 | 4 | Chemie (MN) | |||
| 4 | F | 6-METHOXY-4-(2-{4-[([1,3]OXATHIOLO[5,4-C]PYRIDIN-6-YLMETHYL)AMINO]PIPERIDIN-1-YL}ETHYL)QUINOLINE-3-CARBONITRILE | non-polymer | 461.6 | 1 | Chemie (RXV) | |||
| 5 | water | water | 18.0 | 826 | Chemie (HOH) |
Sequence modifications
B, D: 410 - 545 (UniProt: P66937)
B, D: 580 - 644 (UniProt: P66937)
B, D: 1002 - 1491 (UniProt: Q99XG5)
| PDB | External Database | Details |
|---|---|---|
| Met 409 | - | expression tag |
| Thr 544 | - | insertion |
| Gly 545 | - | insertion |
B, D: 1002 - 1491 (UniProt: Q99XG5)
| PDB | External Database | Details |
|---|---|---|
| Phe 1123 | Tyr 123 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 168418.0 | |
| Non-Polymers* | Number of molecules | 5 |
| Total formula weight | 681.3 | |
| All* | Total formula weight | 169099.3 |
