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Crystal structure of the competence-damaged protein (cina) superfamily protein ECL_02051 from enterobacter cloacae

Analyse Crystal structure of the competence-damaged protein (cina) superfamily protein… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5VU3
Type
protein
Length
1,344 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Competence damage-inducible protein a
UniProt
A0A0H3CM13
Pockets
6 · best druggability 0.78

Structure

x-ray diffraction · 6 distinct chains · 44% helix, 22% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ACompetence damage-inducible protein aprotein16944% helix, 22% strandA0A0H3CM13
B, FCompetence damage-inducible protein aprotein16943% helix, 22% strandA0A0H3CM13
CCompetence damage-inducible protein aprotein16645% helix, 22% strandA0A0H3CM13
DCompetence damage-inducible protein aprotein17045% helix, 22% strandA0A0H3CM13
E, GCompetence damage-inducible protein aprotein16845% helix, 21% strandA0A0H3CM13
HCompetence damage-inducible protein aprotein16544% helix, 21% strandA0A0H3CM13

Ligands and binding sites

  • ACT · Acetate ion · additive · chains A
  • PG4 · Tetraethylene glycol · additive · chains E, G

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19670.780.80103empty
29550.780.8083empty
310380.770.79116empty
47560.730.7884empty
57030.720.7886empty

Interfaces

12 interfaces between chains.

  • A–B · 1138 Ų buried · 24 hydrogen bonds · protein-protein
  • C–D · 1055 Ų buried · 19 hydrogen bonds · protein-protein
  • F–H · 993 Ų buried · 26 hydrogen bonds · protein-protein
  • E–G · 931 Ų buried · 25 hydrogen bonds · protein-protein
  • A–C · 903 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 5VU3 · Crystal structure of the competence-damaged protein (CinA) superfamily protein ECL_02051… · the same entry in another collection · chain A against A, TM-score 1.00

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