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Joint X-RAY/NEUTRON structure of wild type mtan complexed with srh and adenine

Analyse Joint X-RAY/NEUTRON structure of wild type mtan complexed with srh and adenine in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5CCE
Type
protein
Length
230 residues
Chains
1
Method
neutron diffraction; x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-methylthioadenosine nucleosidase
EC
3.2.2.30, 3.2.2.9
UniProt
Q9ZMY2
Ligands
2WP, ADE
Pockets
1 · best druggability 0.61

Structure

neutron diffraction; x-ray diffraction · 1 distinct chain · 39% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-methylthioadenosine nucleosidase (EC 3.2.2.30, 3.2.2.9)protein23039% helix, 29% strandQ9ZMY2

Ligands and binding sites

  • 2WP · S-ribosylhomocysteine · ligand · chains A
  • ADE · Adenine · ligand · 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
1800.610.89202WP, ADE

Compared structures

  • 5CCE · Joint X-ray/neutron structure of wild type MTAN complexed with SRH and adenine · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9ZMY2 · AlphaFold monomer V2.0 prediction for aminodeoxyfutalosine nucleosidase (Q9ZMY2) · a predicted model of the same protein · chain A against A, TM-score 1.00

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