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Crystal structure of the candida albicans methionine synthase by surface entropy reduction, threonine variant

Analyse Crystal structure of the candida albicans methionine synthase by surface… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
3PPH
Type
protein
Length
1,503 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase
EC
2.1.1.14
UniProt
P82610
Pockets
19 · best druggability 0.78

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 14% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase (EC 2.1.1.14)protein75645% helix, 14% strandP82610
B5-methyltetrahydropteroyltriglutamate--homocysteine methyltransferase (EC 2.1.1.14)protein74745% helix, 14% strandP82610

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11010.780.9825empty
23090.770.8845empty
35720.750.8280empty
46660.750.8196empty
57390.750.8066empty

Interfaces

1 interface between chains.

  • A–B · 213 Ų buried · 4 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 3PPH · Crystal structure of the Candida albicans methionine synthase by surface entropy… · 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 0.93

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