5NPK
1.98A STRUCTURE OF THIOPHENE1 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 | B, D, b, d | DNA gyrase subunit B,DNA gyrase subunit B,DNA gyrase subunit A | polymer | 692 | 78109.0 | 4 | UniProt (P66937) UniProt (Q99XG5) Pfam (PF01751) Pfam (PF00986) Pfam (PF00521) In PDB | Staphylococcus aureus | |
2 | E, F, e, f | DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') | polymer | 20 | 6135.0 | 4 | synthetic construct | ||
3 | d, B, D, b | MANGANESE (II) ION | non-polymer | 54.9 | 5 | Chemie (MN) | |||
4 | b, d, B, D | ~{N}-[(1~{R})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide | non-polymer | 362.4 | 6 | Chemie (94H) | |||
5 | d, B, e, D, b | GLYCEROL | non-polymer | 92.1 | 13 | Chemie (GOL) | |||
6 | D | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
7 | b | SULFATE ION | non-polymer | 96.1 | 1 | Chemie (SO4) | |||
8 | b | SODIUM ION | non-polymer | 23.0 | 1 | Chemie (NA) | |||
9 | b, e | ~{N}-[(1~{S})-2-azanyl-1-phenyl-ethyl]-4-(1~{H}-pyrrolo[2,3-b]pyridin-3-yl)thiophene-2-carboxamide | non-polymer | 362.4 | 2 | Chemie (9JN) | |||
10 | water | water | 18.0 | 2664 | Chemie (HOH) |
Sequence modifications
B, D, b, d: 410 - 543 (UniProt: P66937)
B, D, b, d: 580 - 999 (UniProt: P66937)
B, D, b, d: 1002 - 1491 (UniProt: Q99XG5)
PDB | External Database | Details |
---|---|---|
Met 409 | - | initiating methionine |
PDB | External Database | Details |
---|---|---|
Thr 544 | - | linker |
Gly 545 | - | linker |
Asp 1000 | - | linker |
Phe 1001 | - | linker |
PDB | External Database | Details |
---|---|---|
Phe 1123 | Tyr 123 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 8 |
Total formula weight | 336975.9 | |
Non-Polymers* | Number of molecules | 29 |
Total formula weight | 4526.0 | |
All* | Total formula weight | 341501.9 |