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MolNFT v1 · #73823 · protein

Crystal structure of a putative tagatose-6-phosphate KETOSE/ALDOSE isomerase (NT01CX_0292) from clostridium novyi nt at 2.35 a resolution

3ODP: “Crystal structure of a putative tagatose-6-phosphate KETOSE/ALDOSE isomerase (NT01CX_0292) from clostridium…”. X-ray diffraction, 1 ligand (PO4), 2 pockets (best druggability 0.55). MolNFT v1 #73823 on GenesisL1: 3D structure…

PDB
3ODP
Type
protein
Length
392 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative tagatose-6-phosphate KETOSE/ALDOSE isomerase
UniProt
A0Q2D8
Ligands
PO4
Pockets
2 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 16% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative tagatose-6-phosphate KETOSE/ALDOSE isomeraseprotein39249% helix, 16% strandA0Q2D8

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains A
  • PG4 · Tetraethylene glycol · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11740.550.8031PO4
2830.420.7917empty

Modifications

Observed in the structure: 8 modified (engineered).

Compared structures

  • 3ODP · Crystal structure of a putative tagatose-6-phosphate ketose/aldose isomerase… · the same entry in another collection · chain A against A, TM-score 1.00

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