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Crystal structure of the dbl and pleckstrin homology domains of dbs in complex with rhoa

Analyse Crystal structure of the dbl and pleckstrin homology domains of dbs in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1LB1
Type
protein
Length
2,008 residues
Chains
8
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide exchange factor dbs; Transforming protein rhoa
UniProt
Q64096, P61586
Pockets
20 · best druggability 0.61

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 19% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, C, E, GGuanine nucleotide exchange factor dbsprotein32458% helix, 17% strandQ64096
B, D, F, HTransforming protein rhoaprotein17838% helix, 22% strandP61586

Pockets

20 pockets found on a 1 Å grid, 12 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14590.610.7536empty
24620.610.7535empty
34740.610.7536empty
43090.590.7736empty
51990.590.8129empty

Interfaces

6 interfaces between chains.

  • E–F · 1712 Ų buried · 21 hydrogen bonds · protein-protein
  • C–D · 1706 Ų buried · 19 hydrogen bonds · protein-protein
  • G–H · 1706 Ų buried · 21 hydrogen bonds · protein-protein
  • A–B · 1692 Ų buried · 19 hydrogen bonds · protein-protein
  • C–E · 571 Ų buried · 11 hydrogen bonds · protein-protein

Compared structures

  • 1LB1 · Crystal Structure of the Dbl and Pleckstrin homology domains of Dbs in complex with RhoA · the same entry in another collection · chain H against H, TM-score 1.00
  • Q64096 · AlphaFold monomer V2.0 prediction for guanine nucleotide exchange factor dbs (Q64096) · a predicted model of the same protein · chain A against A, TM-score 0.98
  • P61586 · AlphaFold monomer V2.0 prediction for transforming protein rhoa (P61586) · a predicted model of the same protein · chain B against A, TM-score 0.94

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