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Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with 5'-deoxy-5'-methylthioadenosine and sulfate at 1.7 a resolution

Analyse Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1CG6
Type
protein
Length
268 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Protein (5'-deoxy-5'-methylthioadenosine phosphorylase)
EC
2.4.2.28
UniProt
Q13126
Ligands
MTA, SO4
Pockets
3 · best druggability 0.67

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AProtein (5'-deoxy-5'-methylthioadenosine phosphorylase) (EC 2.4.2.28)protein26832% helix, 26% strandQ13126

Ligands and binding sites

  • MTA · 5'-deoxy-5'-methylthioadenosine · ligand · chains A
  • SO4 · Sulfate ion · ion · 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, 1 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12090.670.8528SO4, MTA
2950.370.7516empty
3540.350.7917empty

Compared structures

  • 1CG6 · Structure of human 5'-deoxy-5'-methylthioadenosine phosphorylase complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q13126 · AlphaFold monomer V2.0 prediction for S-methyl-5'-thioadenosine phosphorylase (Q13126) · a predicted model of the same protein · chain A against A, TM-score 0.99

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