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Thorarchaeota rab co-crystallized with GTP gamma-S

Analyse Thorarchaeota rab co-crystallized with GTP gamma-S in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
7EZD
Type
protein
Length
346 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Chains: A,B
UniProt
A0A135VL07
Ligands
GDP, GSP
Pockets
4 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 39% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AChains: A,Bprotein17142% helix, 26% strandA0A135VL07
BChains: A,Bprotein17536% helix, 26% strandA0A135VL07

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · chains A
  • GSP · 5'-guanosine-diphosphate-monothiophosphate · ligand · chains B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12630.670.8333empty
22400.500.7428empty
31290.440.7726GDP
4500.280.7615empty

Interfaces

1 interface between chains.

  • A–B · 1274 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 7EZD · Thorarchaeota Rab co-crystallized with GTP gamma-S · the same entry in another collection · chain A against A, TM-score 1.00

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