3G75
Crystal structure of Staphylococcus aureus Gyrase B co-complexed with 4-METHYL-5-[3-(METHYLSULFANYL)-1H-PYRAZOL-5-YL]-2-THIOPHEN-2-YL-1,3-THIAZOLE inhibitor
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) | DNA gyrase subunit B | polymer | 184 | 21127.6 | 2 | UniProt (P0A0K8) | Staphylococcus aureus | |
| 2 | C, D (A, B) | 4-methyl-5-[3-(methylsulfanyl)-1H-pyrazol-5-yl]-2-thiophen-2-yl-1,3-thiazole | non-polymer | 293.4 | 2 | Chemie (B48) | |||
| 3 | E, F (A, B) | water | water | 18.0 | 326 | Chemie (HOH) |
Sequence modifications
A, B: 24 - 230 (UniProt: P0A0K8)
| PDB | External Database | Details |
|---|---|---|
| - | Val 105 | deletion |
| - | Leu 106 | deletion |
| - | His 107 | deletion |
| - | Ala 108 | deletion |
| - | Gly 109 | deletion |
| - | Gly 110 | deletion |
| - | Lys 111 | deletion |
| - | Phe 112 | deletion |
| - | Gly 113 | deletion |
| - | Gly 114 | deletion |
| - | Gly 115 | deletion |
| - | Gly 116 | deletion |
| - | Tyr 117 | deletion |
| - | Lys 118 | deletion |
| - | Val 119 | deletion |
| - | Ser 120 | deletion |
| - | Gly 121 | deletion |
| - | Gly 122 | deletion |
| - | Leu 123 | deletion |
| - | His 124 | deletion |
| - | Gly 125 | deletion |
| - | Val 126 | deletion |
| - | Gly 127 | deletion |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 42255.2 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 586.9 | |
| All* | Total formula weight | 42842.0 |
