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CCDB:GYRA14 complex

Analyse CCDB:GYRA14 complex in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

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).

ChainMoleculeTypeResiduesSecondary structureUniProt
ADNA gyrase subunit a (EC 5.99.1.3)protein12764% helix, 6% strandP09097
BDNA gyrase subunit a (EC 5.99.1.3)protein12966% helix, 6% strandP09097
CCytotoxic protein ccdbprotein9925% helix, 29% strandP62555
DCytotoxic protein ccdbprotein9519% helix, 33% strandP62555

Pockets

7 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11960.620.8328empty
21610.590.8226empty
31020.560.8530empty
42920.560.7743empty
52850.550.7627empty

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

  • 1X75 · CcdB:GyrA14 complex · the same entry in another collection · chain A against A, TM-score 1.00
  • P62555 · AlphaFold monomer V2.0 prediction for toxin ccdb (P62555) · a predicted model of the same protein · chain C against A, TM-score 0.97

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