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GTPase mechanism of gproteins from the 1.7-ångström crystal structure of transducin alpha-GDP-ALF4-

Analyse GTPase mechanism of gproteins from the 1.7-ångström crystal structure of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1TAD
Type
protein
Length
950 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Transducin-alpha
UniProt
P04695
Ligands
ALF, GDP, CA
Pockets
9 · best druggability 0.76

Structure

x-ray diffraction · 2 distinct chains · 51% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BTransducin-alphaprotein31651% helix, 13% strandP04695
CTransducin-alphaprotein31851% helix, 14% strandP04695

Ligands and binding sites

  • ALF · Tetrafluoroaluminate ion · ligand · 3 copies · chains A, B, C
  • GDP · Guanosine-5'-diphosphate · ligand · 3 copies · chains A, B, C
  • CA · Calcium ion · metal · 3 copies · chains A, B, C
  • CAC · Cacodylate ion · additive · 6 copies · chains A, B, C

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

Pockets

9 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
111450.760.78104CA, ALF, GDP
24590.740.8467CA, ALF, GDP
34130.740.8459CA, ALF, GDP
46090.670.7647CAC
5730.580.8929empty

Interfaces

3 interfaces between chains.

  • A–C · 430 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 405 Ų buried · 5 hydrogen bonds · protein-protein
  • B–C · 37 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 1TAD · GTPase mechanism of gproteins from the 1.7-ångström crystal structure of transducin… · the same entry in another collection · chain A against A, TM-score 1.00
  • P04695 · AlphaFold monomer V2.0 prediction for guanine nucleotide-binding protein G(T) subunit… · a predicted model of the same protein · chain C against A, TM-score 0.99

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