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Crystal structure of pdzrhogef rgrgs domain in a complex with galpha- 13 bound to GTP-gamma-S

Analyse Crystal structure of pdzrhogef rgrgs domain in a complex with galpha- 13 bound… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3CX8
Type
protein
Length
512 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Guanine nucleotide-binding protein alpha-13 subunit; Rho guanine nucleotide exchange…
UniProt
P27601, Q9ES67
Ligands
GSP, MG
Pockets
5 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 58% helix, 8% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGuanine nucleotide-binding protein alpha-13 subunitprotein31950% helix, 13% strandP27601
BRho guanine nucleotide exchange factor 11protein19369% helix, 0% strandQ9ES67

Ligands and binding sites

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

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15860.770.8476MG, GSP
21530.500.7826empty
31210.410.7619empty
41330.400.7420empty
5570.340.7813empty

Interfaces

1 interface between chains.

  • A–B · 1542 Ų buried · 26 hydrogen bonds · protein-protein

Compared structures

  • 3CX8 · Crystal Structure of PDZRhoGEF rgRGS Domain in a Complex with Galpha-13 Bound to… · the same entry in another collection · chain A against A, TM-score 1.00
  • P27601 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein subunit alpha-13… · a predicted model of the same protein · chain A against A, TM-score 0.99
  • Q9ES67 · AlphaFold monomer V2.0 prediction for rho guanine nucleotide exchange factor 11 (Q9ES67) · a predicted model of the same protein · chain B against A, TM-score 0.93

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