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Crystal structure of riam TBS1 in complex with talin R7R8 domains

Analyse Crystal structure of riam TBS1 in complex with talin R7R8 domains in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4W8P
Type
protein
Length
322 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Talin-1; Amyloid beta A4 precursor protein-binding family B member 1-interacting protein
UniProt
P26039, Q8R5A3
Pockets
1 · best druggability 0.37

Structure

x-ray diffraction · 2 distinct chains · 80% helix, 1% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATalin-1protein30180% helix, 1% strandP26039
BAmyloid beta A4 precursor protein-binding family B member 1-interacting proteinprotein2176% helix, 0% strandQ8R5A3

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11140.370.7428empty

Interfaces

1 interface between chains.

  • A–B · 761 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 4W8P · Crystal structure of RIAM TBS1 in complex with talin R7R8 domains · the same entry in another collection · chain A against A, TM-score 1.00
  • P26039 · AlphaFold monomer V2.0 prediction for talin-1 (P26039) · a predicted model of the same protein · chain A against A, TM-score 0.82
  • Q8R5A3 · AlphaFold monomer V2.0 prediction for amyloid beta A4 precursor protein-binding family B… · a predicted model of the same protein · chain B against A, TM-score 0.44

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