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MolNFT v1 · #58826 · protein

Crystal structure of putative ribokinase (10640157) from thermoplasma acidophilum at 1.91 a resolution

3BF5 · Ribokinase related protein: “Crystal structure of putative ribokinase (10640157) from thermoplasma acidophilum at 1.91 a resolution”. X-ray diffraction, 1 ligand (PO4), 5 pockets (best druggability 0.68). MolNFT v1 #58826 on…

PDB
3BF5
Type
protein
Length
563 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribokinase related protein
UniProt
Q9HJT3
Ligands
PO4
Pockets
5 · best druggability 0.68

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 28% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibokinase related proteinprotein28438% helix, 28% strandQ9HJT3
BRibokinase related proteinprotein27937% helix, 28% strandQ9HJT3

Ligands and binding sites

  • PO4 · Phosphate ion · ion · chains B
  • PGO · S-1,2-propanediol · additive · 7 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14610.680.7935PGO
25290.660.7851PGO
34390.630.7749empty
41000.410.7717empty
5970.410.7715empty

Interfaces

1 interface between chains.

  • A–B · 1020 Ų buried · 12 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 26 modified (engineered).

Compared structures

  • 3BF5 · Crystal structure of putative ribokinase (10640157) from Thermoplasma acidophilum at 1.91… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9HJT3 · AlphaFold monomer V2.0 prediction for nucleoside kinase (Q9HJT3) · a predicted model of the same protein · chain B against A, TM-score 0.99

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