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CD4 endocytosis motif bound to the focal adhesion targeting (fat) domain of the focal adhesion kinase

Analyse CD4 endocytosis motif bound to the focal adhesion targeting (fat) domain of the… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3B71
Type
protein
Length
443 residues
Chains
6
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Focal adhesion kinase 1; T-cell surface glycoprotein CD4
EC
2.7.10.2
UniProt
Q05397, P01730
Pockets
7 · best druggability 0.42

Structure

x-ray diffraction · 4 distinct chains · 80% helix, 0% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AFocal adhesion kinase 1 (EC 2.7.10.2)protein13483% helix, 0% strandQ05397
B, CFocal adhesion kinase 1 (EC 2.7.10.2)protein13980% helix, 0% strandQ05397
D, ET-cell surface glycoprotein CD4protein1164% helix, 0% strandP01730
FT-cell surface glycoprotein CD4protein944% helix, 0% strandP01730

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1540.420.8217empty
2790.420.8022empty
31110.420.7722empty
4930.370.7519empty
51060.360.7423empty

Interfaces

6 interfaces between chains.

  • A–B · 715 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 704 Ų buried · 6 hydrogen bonds · protein-protein
  • B–E · 506 Ų buried · 3 hydrogen bonds · protein-protein
  • A–D · 449 Ų buried · 2 hydrogen bonds · protein-protein
  • C–F · 424 Ų buried · 2 hydrogen bonds · protein-protein

Compared structures

  • 3B71 · CD4 endocytosis motif bound to the Focal Adhesion Targeting (FAT) domain of the Focal… · the same entry in another collection · chain F against F, TM-score 1.00
  • Q05397 · AlphaFold monomer V2.0 prediction for focal adhesion kinase 1 (Q05397) · a predicted model of the same protein · chain A against A, TM-score 0.95
  • P01730 · AlphaFold monomer V2.0 prediction for T-cell surface glycoprotein CD4 (P01730) · a predicted model of the same protein · chain F against A, TM-score 0.63

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