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MolNFT v1 · #18030 · protein

The crystal structure of TM1154, oxidoreductase, SOL/DEVB family from thermotoga maritima

1PBT · 6-phosphogluconolactonase: “The crystal structure of TM1154, oxidoreductase, SOL/DEVB family from thermotoga maritima”. X-ray diffraction, 1 ligand (SO4), 2 pockets (best druggability 0.53). MolNFT v1 #18030 on GenesisL1: 3D…

PDB
1PBT
Type
protein
Length
220 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
6-phosphogluconolactonase
EC
3.1.1.31
UniProt
Q9X0N8
Ligands
SO4
Pockets
2 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 23% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A6-phosphogluconolactonase (EC 3.1.1.31)protein22037% helix, 23% strandQ9X0N8

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 2 copies · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · chains A
  • EDO · 1,2-ethanediol · additive · chains A
  • FMT · Formic acid · additive · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11900.530.7929SO4
2500.380.8012empty

Modifications

Observed in the structure: 3 modified (engineered).

Compared structures

  • 1PBT · The crystal structure of TM1154, oxidoreductase, sol/devB family from Thermotoga maritima · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9X0N8 · AlphaFold monomer V2.0 prediction for 6-phosphogluconolactonase (Q9X0N8) · a predicted model of the same protein · chain A against A, TM-score 0.99

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