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Haddock structure of the talin F3 domain in complex with talin 1655- 1822

Analyse Haddock structure of the talin F3 domain in complex with talin 1655- 1822 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2KGX
Type
protein
Length
265 residues
Chains
2
Method
solution nmr
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Talin-1; MKIAA1027 protein
UniProt
P26039, Q80TM2
Pockets
3 · best druggability 0.73

Structure

solution nmr · 2 distinct chains · 58% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ATalin-1protein17479% helix, 0% strandP26039
BMKIAA1027 proteinprotein9118% helix, 45% strandQ80TM2

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1820.730.9618empty
2530.710.9717empty
32200.560.7930empty

Interfaces

1 interface between chains.

  • A–B · 1017 Ų buried · 13 hydrogen bonds · protein-protein

Compared structures

  • 2KGX · HADDOCK structure of the talin F3 domain in complex with talin 1655-1822 · 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 0.88

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