MolNFT v1 · #54037 · protein
The 2.98A crystal structure of the catalytic core (B'A' region) of staphylococcus aureus DNA gyrase
2XCQ · DNA gyrase subunit B, DNA gyrase subunit a: “The 2.98A crystal structure of the catalytic core (B'A' region) of staphylococcus aureus DNA gyrase”. X-ray diffraction, 5 pockets (best druggability 0.68). MolNFT v1 #54037 on GenesisL1…
- PDB
- 2XCQ
- Type
- protein
- Length
- 652 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA gyrase subunit B, DNA gyrase subunit a
- EC
- 5.99.1.3
- UniProt
- P66937, Q99XG5
- Pockets
- 5 · best druggability 0.68
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA gyrase subunit B, DNA gyrase subunit a (EC 5.99.1.3) | protein | 652 | 44% helix, 17% strand | P66937, Q99XG5 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 567 | 0.68 | 0.78 | 81 | empty |
| 2 | 124 | 0.51 | 0.80 | 19 | empty |
| 3 | 62 | 0.35 | 0.77 | 10 | empty |
| 4 | 54 | 0.28 | 0.75 | 10 | empty |
| 5 | 65 | 0.28 | 0.73 | 18 | empty |
Compared structures
- 2XCQ · The 2.98A crystal structure of the catalytic core (B'A' region) of Staphylococcus aureus… · the same entry in another collection · chain A against A, TM-score 1.00
- Q99XG5 · AlphaFold monomer V2.0 prediction for DNA gyrase subunit a (Q99XG5) · a predicted model of the same protein · chain A against A, TM-score 0.71
- P66937 · AlphaFold monomer V2.0 prediction for DNA gyrase subunit B (P66937) · a predicted model of the same protein · chain A against A, TM-score 0.24
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 P66937
- Every structure of UniProt Q99XG5
- Elsewhere: RCSB PDB 2XCQ · PDBe 2XCQ · UniProt P66937 · UniProt Q99XG5
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