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MolNFT v1 · #26102 · protein

Crystal structure of GTP-binding protein TT1341 from thermus thermophilus HB8

1WF3: “Crystal structure of GTP-binding protein TT1341 from thermus thermophilus HB8”. X-ray diffraction, 2 ligands (GNP, MG), 2 pockets (best druggability 0.62). MolNFT v1 #26102 on GenesisL1: 3D structure, binding sites and pockets in…

PDB
1WF3
Type
protein
Length
296 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GTP-binding protein
UniProt
Q5SM23
Ligands
GNP, MG
Pockets
2 · best druggability 0.62

Structure

x-ray diffraction · 1 distinct chain · 40% helix, 24% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGTP-binding proteinprotein29640% helix, 24% strandQ5SM23

Ligands and binding sites

  • GNP · Phosphoaminophosphonic acid-guanylate ester · ligand · chains A
  • MG · Magnesium ion · metal · chains A
  • GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12280.620.8233GOL
2900.560.8626MG, GNP

Compared structures

  • 1WF3 · Crystal structure of GTP-binding protein TT1341 from Thermus thermophilus HB8 · the same entry in another collection · chain A against A, TM-score 1.00
  • Q5SM23 · AlphaFold monomer V2.0 prediction for GTPase era (Q5SM23) · a predicted model of the same protein · chain A against A, TM-score 0.99

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