4KSG
Dna gyrase atp binding domain of enterococcus faecalis in complex with a small molecule inhibitor (4-[(1S,5R,6R)-6-AMINO-1-METHYL-3-AZABICYCLO[3.2.0]HEPT-3-YL]-6-FLUORO-N-METHYL-2-[(2-METHYLPYRIMIDIN-5-YL)OXY]-9H-PYRIMIDO[4,5-B]INDOL-8-AMINE)
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A (A) | DNA gyrase subunit B | polymer | 215 | 23835.6 | 1 | UniProt (Q839Z1) Pfam (PF02518) | Enterococcus faecalis | |
| 2 | B (A) | 4-[(1S,5R,6R)-6-amino-1-methyl-3-azabicyclo[3.2.0]hept-3-yl]-6-fluoro-N-methyl-2-[(2-methylpyrimidin-5-yl)oxy]-9H-pyrimido[4,5-b]indol-8-amine | non-polymer | 448.5 | 1 | Chemie (920) | |||
| 3 | C (A) | TERTIARY-BUTYL ALCOHOL | non-polymer | 74.1 | 1 | Chemie (TBU) | |||
| 4 | D (A) | water | water | 18.0 | 162 | Chemie (HOH) |
Sequence modifications
A: 18 - 224 (UniProt: Q839Z1)
| PDB | External Database | Details |
|---|---|---|
| Leu 225 | - | expression tag |
| Glu 226 | - | expression tag |
| His 227 | - | expression tag |
| His 228 | - | expression tag |
| His 229 | - | expression tag |
| His 230 | - | expression tag |
| His 231 | - | expression tag |
| His 232 | - | expression tag |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 1 |
| Total formula weight | 23835.6 | |
| Non-Polymers* | Number of molecules | 2 |
| Total formula weight | 522.6 | |
| All* | Total formula weight | 24358.2 |
