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MolNFT v1 · #59023 · protein

Crystal structure of staphylococcus aureus 5'- METHYLTHIOADENOSINE/S-adenosylhomocysteine nucleosidase in complex with formycin a

3BL6 · 5'-methylthioadenosine NUCLEOSIDASE/S- adenosylhomocysteine…: “Crystal structure of staphylococcus aureus 5'- METHYLTHIOADENOSINE/S-adenosylhomocysteine nucleosidase in…”. X-ray diffraction, 1 ligand (FMC), 1 pocket (best…

PDB
3BL6
Type
protein
Length
230 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
5'-methylthioadenosine NUCLEOSIDASE/S- adenosylhomocysteine nucleosidase
EC
3.2.2.9, 3.2.2.16
UniProt
Q99TQ0
Ligands
FMC
Pockets
1 · best druggability 0.64

Structure

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

ChainMoleculeTypeResiduesSecondary structureUniProt
A5'-methylthioadenosine NUCLEOSIDASE/S- adenosylhomocysteine nucleosidase (EC 3.2.2.9, 3.2.2.16)protein23037% helix, 30% strandQ99TQ0

Ligands and binding sites

  • FMC · (1S)-1-(7-amino-1H-pyrazolo[4,3-d]pyrimidin-3-yl)-1,4-anhydro-D-ribitol · 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
1790.640.9119FMC

Compared structures

  • 3BL6 · Crystal structure of Staphylococcus aureus 5'-methylthioadenosine/S-adenosylhomocysteine… · the same entry in another collection · chain A against A, TM-score 1.00
  • Q99TQ0 · AlphaFold monomer V2.0 prediction for 5'-METHYLTHIOADENOSINE/S-adenosylhomocysteine… · a predicted model of the same protein · chain A against A, TM-score 0.99

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