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A complex between pH domain of P190RHOGEF and activated rhoa bound to a GTP analog

Analyse A complex between pH domain of P190RHOGEF and activated rhoa bound to a GTP… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6BC0
Type
protein
Length
310 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rho guanine nucleotide exchange factor 28; Transforming protein rhoa
UniProt
Q8N1W1, P61586
Ligands
GSP, MG
Pockets
3 · best druggability 0.59

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARho guanine nucleotide exchange factor 28protein13121% helix, 42% strandQ8N1W1
FTransforming protein rhoaprotein17940% helix, 26% strandP61586

Ligands and binding sites

  • GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains F
  • MG · Magnesium ion · metal · chains F

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12480.590.7932empty
21630.530.7932MG, GSP
3620.400.8015empty

Interfaces

1 interface between chains.

  • A–F · 645 Ų buried · 9 hydrogen bonds · protein-protein

Compared structures

  • 6BC0 · A Complex between PH Domain of p190RhoGEF and Activated RhoA Bound to a GTP Analog · the same entry in another collection · chain A against A, TM-score 1.00
  • P61586 · AlphaFold monomer V2.0 prediction for transforming protein rhoa (P61586) · a predicted model of the same protein · chain F against A, TM-score 0.99
  • Q8N1W1 · AlphaFold monomer V2.0 prediction for rho guanine nucleotide exchange factor 28 (Q8N1W1) · a predicted model of the same protein · chain A against A, TM-score 0.96

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