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MolNFT v1 · #177936 · protein

Thorarchaeota rab bound to GDP

7EZB: “Thorarchaeota rab bound to GDP”. X-ray diffraction, 2 ligands (GDP, MG), 6 pockets (best druggability 0.70). MolNFT v1 #177936 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
7EZB
Type
protein
Length
345 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Thorarchaeota rab
UniProt
A0A135VL07
Ligands
GDP, MG
Pockets
6 · best druggability 0.70

Structure

x-ray diffraction · 2 distinct chains · 37% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AThorarchaeota rabprotein17440% helix, 27% strandA0A135VL07
BThorarchaeota rabprotein17134% helix, 26% strandA0A135VL07

Ligands and binding sites

  • GDP · Guanosine-5'-diphosphate · ligand · 2 copies · chains A, B
  • MG · Magnesium ion · metal · 2 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12490.700.8537empty
21290.440.7726GDP, MG
31110.430.7817empty
41440.400.7317empty
5790.320.7423GDP, MG

Interfaces

1 interface between chains.

  • A–B · 1297 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 7EZB · Thorarchaeota Rab bound to GDP · the same entry in another collection · chain A against A, TM-score 1.00

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