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D0-D1 domain of intimin

Analyse D0-D1 domain of intimin in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6TPL
Type
protein
Length
393 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Intimin
UniProt
H3JUW4
Ligands
MG, CL
Pockets
3 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 0% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AIntiminprotein1980% helix, 54% strandH3JUW4
BIntiminprotein1950% helix, 55% strandH3JUW4

Ligands and binding sites

  • MG · Magnesium ion · metal · 4 copies · chains A, B
  • CL · Chloride ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13090.540.7543CL
22000.480.7536CL
31020.330.7217empty

Interfaces

1 interface between chains.

  • A–B · 374 Ų buried · 4 hydrogen bonds · protein-protein

Compared structures

  • 6TPL · D0-D1 domain of Intimin · the same entry in another collection · chain A against A, TM-score 1.00

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