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MolNFT v1 · #79837 · protein

Structure of udp-glucose dehydrogenase V132 deletion

3TF5 · Udp-glucose 6-dehydrogenase: “Structure of udp-glucose dehydrogenase V132 deletion”. X-ray diffraction, 10 pockets (best druggability 0.77). MolNFT v1 #79837 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
3TF5
Type
protein
Length
1,373 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Udp-glucose 6-dehydrogenase
EC
1.1.1.22
UniProt
O60701
Pockets
10 · best druggability 0.77

Structure

x-ray diffraction · 3 distinct chains · 46% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AUdp-glucose 6-dehydrogenase (EC 1.1.1.22)protein45846% helix, 15% strandO60701
BUdp-glucose 6-dehydrogenase (EC 1.1.1.22)protein45746% helix, 15% strandO60701
CUdp-glucose 6-dehydrogenase (EC 1.1.1.22)protein45845% helix, 15% strandO60701

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
19510.770.7991empty
211830.770.79118empty
311260.760.78107empty
42100.600.8133empty
51190.530.8220empty

Interfaces

3 interfaces between chains.

  • B–C · 813 Ų buried · 16 hydrogen bonds · protein-protein
  • A–C · 810 Ų buried · 15 hydrogen bonds · protein-protein
  • A–B · 805 Ų buried · 16 hydrogen bonds · protein-protein

Compared structures

  • 3TF5 · Structure of UDP-glucose dehydrogenase V132 deletion · the same entry in another collection · chain A against A, TM-score 1.00
  • O60701 · AlphaFold monomer V2.0 prediction for udp-glucose 6-dehydrogenase (O60701) · a predicted model of the same protein · chain C against A, TM-score 0.93

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