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MolNFT v1 · #98340 · protein

Crystal structure of the candida albicans methionine synthase in complex with glutamine

4L6O · 5-methyltetrahydropteroyltriglutamate--homocysteine…: “Crystal structure of the candida albicans methionine synthase in complex with glutamine”. X-ray diffraction, 2 ligands (GLN, ZN), 8 pockets (best druggability 0.77). MolNFT v1…

PDB
4L6O
Type
protein
Length
746 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase
EC
2.1.1.14
UniProt
P82610
Ligands
GLN, ZN
Pockets
8 · best druggability 0.77

Structure

x-ray diffraction · 1 distinct chain · 47% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase (EC 2.1.1.14)protein74647% helix, 14% strandP82610

Ligands and binding sites

  • GLN · Glutamine · ligand · chains A
  • ZN · Zinc ion · metal · chains A

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

Pockets

8 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
110970.770.79105GLN
23290.750.8648empty
31530.560.8124empty
4670.510.8520empty
52320.460.7322empty

Compared structures

  • 4L6O · Crystal structure of the Candida albicans Methionine Synthase in complex with Glutamine · the same entry in another collection · chain A against A, TM-score 1.00
  • P82610 · AlphaFold monomer V2.0 prediction for 5-methyltetrahydropteroyltriglutamate--homocysteine… · a predicted model of the same protein · chain A against A, TM-score 0.96

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