6TCK
Crystal structure of the ATP binding domain of S. aureus GyrB complexed with ULD-2
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 | 212 | 23931.6 | 2 | UniProt (P0A0K8) Pfam (PF02518) | Staphylococcus aureus | |
| 2 | C, I (A, B) | 2-[[3,4-bis(chloranyl)-5-methyl-1~{H}-pyrrol-2-yl]carbonylamino]-4-phenylmethoxy-1,3-benzothiazole-6-carboxylic acid | non-polymer | 476.3 | 2 | Chemie (N1N) | |||
| 3 | D (A) | GLYCEROL | non-polymer | 92.1 | 1 | Chemie (GOL) | |||
| 4 | E, F, G, J, K (A, B) | (4S)-2-METHYL-2,4-PENTANEDIOL | non-polymer | 118.2 | 5 | Chemie (MPD) | |||
| 5 | H, M (A, B) | CHLORIDE ION | non-polymer | 35.5 | 2 | Chemie (CL) | |||
| 6 | L (B) | IMIDAZOLE | non-polymer | 69.1 | 1 | Chemie (IMD) | |||
| 7 | N (B) | CALCIUM ION | non-polymer | 40.1 | 1 | Chemie (CA) | |||
| 8 | O (B) | DIMETHYL SULFOXIDE | non-polymer | 78.1 | 1 | Chemie (DMS) | |||
| 9 | P, Q (A, B) | water | water | 18.0 | 196 | Chemie (HOH) |
Sequence modifications
A, B: 2 - 234 (UniProt: P0A0K8)
| PDB | External Database | Details |
|---|---|---|
| Gly 0 | - | expression tag |
| Ser 1 | - | expression tag |
| - | 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 | 47863.2 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 1893.8 | |
| All* | Total formula weight | 49757.0 |
