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MolNFT v1 · #150780 · protein

High resolution structure of MET1 from mycobacterium hassiacum in complex with 3-methoxy-1,2-propanediol.

6H40 · Methyltransferase domain protein: “High resolution structure of MET1 from mycobacterium hassiacum in complex with 3-methoxy-1,2-propanediol.”. X-ray diffraction, 4 ligands (FW5, SAH, MG), 1 pocket (best druggability 0.66). MolNFT v1…

PDB
6H40
Type
protein
Length
220 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methyltransferase domain protein
UniProt
K5B7F3
Ligands
FW5, SAH, MG, CL
Pockets
1 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 21% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethyltransferase domain proteinprotein22039% helix, 21% strandK5B7F3

Ligands and binding sites

  • FW5 · (2~{S})-3-methoxypropane-1,2-diol · ligand · chains A
  • SAH · S-adenosyl-L-homocysteine · ligand · chains A
  • MG · Magnesium ion · metal · 2 copies · chains A
  • CL · Chloride ion · ion · chains A
  • GOL · Glycerol · additive · 4 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12980.660.8252GOL, FW5, SAH, CL

Compared structures

  • 6H40 · High resolution structure of MeT1 from Mycobacterium hassiacum in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • K5B7F3 · AlphaFold monomer V2.0 prediction for mmp 1-O-methyltransferase (K5B7F3) · a predicted model of the same protein · chain A against A, TM-score 0.97

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