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Crystal structure of a putative 5'-METHYLTHIOADENOSINE/S- adenosylhomocysteine nucleosidase from sulfurimonas denitrificans dsm 1251 (target nysgrc-029304 )

Analyse Crystal structure of a putative 5'-METHYLTHIOADENOSINE/S- adenosylhomocysteine… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4JWT
Type
protein
Length
245 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Methylthioadenosine nucleosidase
EC
3.2.2.16
UniProt
Q30QR2
Ligands
ADE
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AMethylthioadenosine nucleosidase (EC 3.2.2.16)protein24538% helix, 27% strandQ30QR2

Ligands and binding sites

  • ADE · Adenine · ligand · chains A
  • EDO · 1,2-ethanediol · 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
1650.630.9219ADE

Modifications

Observed in the structure: 10 modified (engineered).

Compared structures

  • 4JWT · Crystal structure of a putative 5'-methylthioadenosine/S-adenosylhomocysteine… · the same entry in another collection · chain A against A, TM-score 1.00

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