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MolNFT v1 · #137444 · protein

Methionine synthase folate-binding domain from thermus thermophilus HB8 native

5VOP · 5-methyltetrahydrofolate homocysteine S-methyltransferase: “Methionine synthase folate-binding domain from thermus thermophilus HB8 native”. X-ray diffraction, 2 ligands (C2F, NA), 3 pockets (best druggability 0.58). MolNFT v1…

PDB
5VOP
Type
protein
Length
564 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5-methyltetrahydrofolate homocysteine S-methyltransferase
UniProt
Q5SKM5
Ligands
C2F, NA
Pockets
3 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 17% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5-methyltetrahydrofolate homocysteine S-methyltransferaseprotein28251% helix, 17% strandQ5SKM5

Ligands and binding sites

  • C2F · 5-methyl-5,6,7,8-tetrahydrofolic acid · ligand · 2 copies · chains A, B
  • NA · Sodium ion · metal · 2 copies · chains A, B
  • GOL · Glycerol · additive · 3 copies · chains A, B
  • FLC · Citrate anion · additive · chains A

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

Pockets

3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13710.580.7643C2F
23370.570.7632C2F
3510.330.7812empty

Interfaces

1 interface between chains.

  • A–B · 946 Ų buried · 22 hydrogen bonds · protein-protein

Compared structures

  • 5VOP · Methionine synthase folate-binding domain from Thermus thermophilus HB8 native · the same entry in another collection · chain A against A, TM-score 1.00

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