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MolNFT v1 · #141657 · protein

Molecular structure of a novel 5,10-methylenetetrahydrofolate dehydrogenase from the silkworm, bombyx mori

5ZF1: “Molecular structure of a novel 5,10-methylenetetrahydrofolate dehydrogenase from the silkworm, bombyx mori”. X-ray diffraction, 1 ligand (SO4), 7 pockets (best druggability 0.65). MolNFT v1 #141657 on GenesisL1: 3D structure…

PDB
5ZF1
Type
protein
Length
578 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5,10-methylenetetrahydrofolate dehydrogenase
Ligands
SO4
Pockets
7 · best druggability 0.65

Structure

x-ray diffraction · 2 distinct chains · 43% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5,10-methylenetetrahydrofolate dehydrogenaseprotein28843% helix, 16% strand—
B5,10-methylenetetrahydrofolate dehydrogenaseprotein29043% helix, 15% strand—

Ligands and binding sites

  • SO4 · Sulfate ion · ion · 4 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14130.650.7844empty
23600.610.7737empty
31760.570.8143SO4
41200.390.7429EDO
5870.360.7522empty

Interfaces

1 interface between chains.

  • A–B · 1647 Ų buried · 30 hydrogen bonds · protein-protein

Compared structures

  • 5ZF1 · Molecular structure of a novel 5,10-methylenetetrahydrofolate dehydrogenase from the… · the same entry in another collection · chain A against A, TM-score 1.00

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