5CDM
2.5A structure of QPT-1 with S.aureus DNA gyrase and DNA
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, C (B, D) | DNA gyrase subunit B,DNA gyrase subunit B | polymer | 190 | 21331.2 | 2 | UniProt (P66937) Pfam (PF01751) Pfam (PF00986) | Staphylococcus aureus | |
| 2 | B, D (A, C) | DNA gyrase subunit A | polymer | 482 | 54777.4 | 2 | UniProt (Q99XG5) Pfam (PF00521) | Staphylococcus aureus | |
| 3 | E, G (E, F) | DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3') | polymer | 8 | 2451.6 | 2 | synthetic construct | ||
| 4 | F, H (I, N) | DNA (5'-D(P*GP*AP*GP*CP*GP*TP*AP*C*GP*GP*CP*CP*GP*TP*AP*CP*GP*CP*TP*T)-3') | polymer | 12 | 3654.4 | 2 | synthetic construct | ||
| 5 | I, N (B, D) | MANGANESE (II) ION | non-polymer | 54.9 | 2 | Chemie (MN) | |||
| 6 | J, M (B, A) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | K (A) | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
| 8 | L (A) | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
| 9 | O, Q (I, N) | (2R,4S,4aS)-2,4-dimethyl-8-nitro-1,2,4,4a-tetrahydro-2'H,6H-spiro[1,4-oxazino[4,3-a]quinoline-5,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione | non-polymer | 374.3 | 2 | Chemie (54Q) | |||
| 10 | P (N) | THYMIDINE-5'-MONOPHOSPHATE | non-polymer | 322.2 | 1 | Chemie (DT) | synthetic construct | ||
| 11 | R, S, T, U, V... (B, A, D, C, E...) | water | water | 18.0 | 328 | Chemie (HOH) |
Sequence modifications
B, D: 416 - 543 (UniProt: P66937)
B, D: 580 - 639 (UniProt: P66937)
B, D: 580 - 639 (UniProt: P66937)
| PDB | External Database | Details |
|---|---|---|
| Thr 544 | - | linker |
| Gly 545 | - | linker |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 8 |
| Total formula weight | 164429.3 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 1484.0 | |
| All* | Total formula weight | 165913.3 |
