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HIV-1 SF2 nef in complex with the fyn SH3 R96I mutant

Analyse HIV-1 SF2 nef in complex with the fyn SH3 R96I mutant in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7D7S
Type
protein
Length
328 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein nef; Tyrosine-protein kinase fyn
UniProt
P03407, E5RFS5
Pockets
3 · best druggability 0.39

Structure

x-ray diffraction · 4 distinct chains · 26% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein nefprotein10538% helix, 15% strandP03407
BProtein nefprotein10339% helix, 16% strandP03407
CTyrosine-protein kinase fynprotein595% helix, 44% strandE5RFS5
DTyrosine-protein kinase fynprotein615% helix, 44% strandE5RFS5

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11380.390.7319empty
2840.360.7513empty
3750.330.7519empty

Interfaces

4 interfaces between chains.

  • A–D · 732 Ų buried · 9 hydrogen bonds · protein-protein
  • B–C · 690 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 379 Ų buried · 4 hydrogen bonds · protein-protein
  • B–D · 29 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 7D7S · HIV-1 SF2 Nef in complex with the Fyn SH3 R96I mutant · the same entry in another collection · chain A against A, TM-score 1.00

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