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MolNFT v1 · #101289 · protein

2.60 ångström resolution crystal structure of putative ribose 5- phosphate isomerase from toxoplasma gondii ME49 in complex with dl- malic acid

4NML · Ribulose 5-phosphate isomerase: “2.60 ångström resolution crystal structure of putative ribose 5- phosphate isomerase from toxoplasma gondii…”. X-ray diffraction, 2 ligands (MLT, CL), 1 pocket (best druggability 0.43). MolNFT v1…

PDB
4NML
Type
protein
Length
250 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Ribulose 5-phosphate isomerase
EC
5.3.1.6
UniProt
S8GQK2
Ligands
MLT, CL
Pockets
1 · best druggability 0.43

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ARibulose 5-phosphate isomerase (EC 5.3.1.6)protein25033% helix, 26% strandS8GQK2

Ligands and binding sites

  • MLT · D-malate · ligand · chains A
  • CL · Chloride ion · ion · 2 copies · chains A

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1610.430.8320CL, MLT

Modifications

Observed in the structure: 6 modified (engineered, artifact).

Compared structures

  • 4NML · 2.60 Angstrom resolution crystal structure of putative ribose 5-phosphate isomerase from… · the same entry in another collection · chain A against A, TM-score 1.00

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