5IWI
1.98A structure of GSK945237 with S.aureus DNA gyrase and singly nicked 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 | DNA gyrase subunit B,DNA gyrase subunit B | polymer | 202 | 22605.7 | 2 | UniProt (P66937) Pfam (PF01751) Pfam (PF00986) In PDB | Staphylococcus aureus | |
2 | A, C | DNA gyrase subunit A | polymer | 490 | 55521.3 | 2 | UniProt (Q99XG5) Pfam (PF00521) In PDB | Staphylococcus aureus (strain N315) | |
3 | E | DNA (5'-D(*AP*GP*CP*CP*GP*TP*AP*GP*GP*TP*AP*CP*AP*CP*CP*GP*CP*AP*CP*A)-3') | polymer | 20 | 6113.0 | 1 | synthetic construct | ||
4 | F | DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*T*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') | polymer | 8 | 2473.6 | 1 | synthetic construct | ||
5 | G | DNA (5'-D(*TP*GP*TP*GP*CP*GP*GP*T*GP*TP*AP*CP*CP*TP*AP*CP*GP*GP*CP*T)-3') | polymer | 12 | 3638.4 | 1 | synthetic construct | ||
6 | B, D, C | MANGANESE (II) ION | non-polymer | 54.9 | 3 | Chemie (MN) | |||
7 | A, C | GLYCEROL | non-polymer | 92.1 | 10 | Chemie (GOL) | |||
8 | A | CHLORIDE ION | non-polymer | 35.5 | 1 | Chemie (CL) | |||
9 | E | (1R)-1-[(4-{[(6,7-dihydro[1,4]dioxino[2,3-c]pyridazin-3-yl)methyl]amino}piperidin-1-yl)methyl]-9-fluoro-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-4-one | non-polymer | 451.5 | 1 | Chemie (6EJ) | |||
10 | water | water | 18.0 | 950 | Chemie (HOH) |
Sequence modifications
B, D: 410 - 543 (UniProt: P66937)
B, D: 580 - 644 (UniProt: P66937)
A, C: 2 - 491 (UniProt: Q99XG5)
PDB | External Database | Details |
---|---|---|
Met 409 | - | expression tag |
PDB | External Database | Details |
---|---|---|
Thr 544 | - | linker |
Gly 545 | - | linker |
PDB | External Database | Details |
---|---|---|
Phe 123 | Tyr 123 | conflict |
Sequence viewer
Contents of the asymmetric unit
Polymers | Number of chains | 7 |
Total formula weight | 168479.0 | |
Non-Polymers* | Number of molecules | 15 |
Total formula weight | 1572.7 | |
All* | Total formula weight | 170051.7 |