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Crystal structure of campylobacter jejuni 5'-METHYLTHIOADENOSINE/S- adenosyl homocysteine nucleosidase (mtan)

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

PDB
6AYM
Type
protein
Length
458 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-METHYLTHIOADENOSINE/S-adenosylhomocysteine nucleosidase
EC
3.2.2.9
UniProt
A0A1E7P7U4
Pockets
5 · best druggability 0.69

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B5'-METHYLTHIOADENOSINE/S-adenosylhomocysteine nucleosidase (EC 3.2.2.9)protein22937% helix, 30% strandA0A1E7P7U4

Ligands and binding sites

  • EDO · 1,2-ethanediol · additive · 9 copies · chains A, B

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

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13220.690.8235empty
23080.690.8330empty
3680.620.9127EDO
4630.510.8624EDO
51610.480.7724EDO

Interfaces

1 interface between chains.

  • A–B · 1500 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 6AYM · Crystal structure of Campylobacter jejuni 5'-methylthioadenosine/S-adenosyl homocysteine… · the same entry in another collection · chain A against A, TM-score 1.00

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