MolNFT v1 · #27020 · protein
CCDB:GYRA14 complex
1X75 · DNA gyrase subunit a: “CCDB:GYRA14 complex”. X-ray diffraction, 7 pockets (best druggability 0.62). MolNFT v1 #27020 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1X75
- Type
- protein
- Length
- 450 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- DNA gyrase subunit a; Cytotoxic protein ccdb
- EC
- 5.99.1.3
- UniProt
- P09097, P62555
- Pockets
- 7 · best druggability 0.62
Structure
x-ray diffraction · 4 distinct chains · 46% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | DNA gyrase subunit a (EC 5.99.1.3) | protein | 127 | 64% helix, 6% strand | P09097 |
| B | DNA gyrase subunit a (EC 5.99.1.3) | protein | 129 | 66% helix, 6% strand | P09097 |
| C | Cytotoxic protein ccdb | protein | 99 | 25% helix, 29% strand | P62555 |
| D | Cytotoxic protein ccdb | protein | 95 | 19% helix, 33% strand | P62555 |
Pockets
7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 196 | 0.62 | 0.83 | 28 | empty |
| 2 | 161 | 0.59 | 0.82 | 26 | empty |
| 3 | 102 | 0.56 | 0.85 | 30 | empty |
| 4 | 292 | 0.56 | 0.77 | 43 | empty |
| 5 | 285 | 0.55 | 0.76 | 27 | empty |
Interfaces
6 interfaces between chains.
- A–B · 1051 Ų buried · 18 hydrogen bonds · protein-protein
- C–D · 1041 Ų buried · 10 hydrogen bonds · protein-protein
- B–D · 372 Ų buried · 3 hydrogen bonds · protein-protein
- A–D · 344 Ų buried · 5 hydrogen bonds · protein-protein
- A–C · 344 Ų buried · 3 hydrogen bonds · protein-protein
Compared structures
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 P09097
- Every structure of UniProt P62555
- Elsewhere: RCSB PDB 1X75 · PDBe 1X75 · UniProt P09097 · UniProt P62555
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