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Crystal structure of gyraseb N-terminal domain complex with ATP from salmonella typhi at 2.2A resolution
Analyse Crystal structure of gyraseb N-terminal domain complex with ATP from salmonella… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6J90
- Type
- protein
- Length
- 390 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA gyrase subunit B
- EC
- 5.99.1.3
- UniProt
- P0A2I4
- Ligands
- ATP, CL
- Pockets
- 1 · best druggability 0.75
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA gyrase subunit B (EC 5.99.1.3) | protein | 390 | 38% helix, 24% strand | P0A2I4 |
Ligands and binding sites
- ATP · Adenosine-5'-triphosphate · ligand · chains A
- CL · Chloride ion · ion · chains A
- PEG · Di(hydroxyethyl)ether · additive · 3 copies · chains A
- GOL · Glycerol · additive · 2 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 538 | 0.75 | 0.82 | 72 | ATP, GOL |
Compared structures
- 6J90 · Crystal Structure of GyraseB N-Terminal Domain complex with ATP from Salmonella Typhi at… · the same entry in another collection · chain A against A, TM-score 1.00
- P0A2I4 · AlphaFold monomer V2.0 prediction for DNA gyrase subunit B (P0A2I4) · a predicted model of the same protein · chain A against A, TM-score 0.98
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P0A2I4
- Elsewhere: RCSB PDB 6J90 · PDBe 6J90 · UniProt P0A2I4
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