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Structure from the mobile metagenome of vibrio cholerae. integron cassette protein VCH_CASS14

Analyse Structure from the mobile metagenome of vibrio cholerae. integron cassette… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3IMO
Type
protein
Length
438 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Integron cassette protein
Pockets
5 · best druggability 0.81

Structure

x-ray diffraction · 4 distinct chains · 41% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIntegron cassette proteinprotein11439% helix, 28% strand—
BIntegron cassette proteinprotein10542% helix, 33% strand—
CIntegron cassette proteinprotein10742% helix, 31% strand—
DIntegron cassette proteinprotein11239% helix, 32% strand—

Ligands and binding sites

  • ACT · Acetate ion · additive · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12220.810.9428empty
21980.780.9226ACT
32350.770.9029ACT
42110.770.9127empty
52160.530.7730empty

Interfaces

3 interfaces between chains.

  • B–D · 1244 Ų buried · 11 hydrogen bonds · protein-protein
  • A–C · 1147 Ų buried · 8 hydrogen bonds · protein-protein
  • A–B · 354 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 3IMO · Structure from the mobile metagenome of Vibrio cholerae. Integron cassette protein… · the same entry in another collection · chain A against A, TM-score 1.00

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