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MolNFT v1 · #41251 · protein

Crystal structure of rhogdi E154A,E155A mutant

2JHU · Rho GDP-dissociation inhibitor 1: “Crystal structure of rhogdi E154A,E155A mutant”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.61). MolNFT v1 #41251 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
2JHU
Type
protein
Length
276 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Rho GDP-dissociation inhibitor 1
UniProt
P52565
Ligands
SO4
Pockets
3 · best druggability 0.61

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 56% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BRho GDP-dissociation inhibitor 1protein1387% helix, 56% strandP52565

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12810.610.7941empty
21220.470.7819empty
3730.400.7916empty

Interfaces

1 interface between chains.

  • A–B · 565 Ų buried · 14 hydrogen bonds · protein-protein

Compared structures

  • 2JHU · Crystal structure of rhogdi E154A,E155A mutant · the same entry in another collection · chain A against A, TM-score 1.00
  • P52565 · AlphaFold monomer V2.0 prediction for rho GDP-dissociation inhibitor 1 (P52565) · a predicted model of the same protein · chain B against A, TM-score 0.97

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