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MolNFT v1 · #71728 · protein

Crystal structure of streptococcus pneumoniae MTA/SAH nucleosidase in complex with 8-aminoadenine

3MMS · 5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase: “Crystal structure of streptococcus pneumoniae MTA/SAH nucleosidase in complex with 8-aminoadenine”. X-ray diffraction, 1 ligand (Q88), 1 pocket (best druggability 0.63).…

PDB
3MMS
Type
protein
Length
225 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase
EC
3.2.2.16
UniProt
Q8DQ16
Ligands
Q88
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 36% helix, 30% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-methylthioadenosine / S-adenosylhomocysteine nucleosidase (EC 3.2.2.16)protein22536% helix, 30% strandQ8DQ16

Ligands and binding sites

  • Q88 · 9H-purine-6,8-diamine · ligand · 2 copies · chains A
  • GOL · Glycerol · additive · 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
1780.630.9018Q88

Compared structures

  • 3MMS · Crystal structure of Streptococcus pneumoniae MTA/SAH nucleosidase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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