MolNFT v1 · #91522 · protein
Crystal structure of 5'-METHYLTHIOADENOSINE/S-adenosylhomocysteine nucleosidase from helicobacter pylori with butyl-thio-dadme- immucillin-a
4FFS · MTA/SAH nucleosidase: “Crystal structure of 5'-METHYLTHIOADENOSINE/S-adenosylhomocysteine nucleosidase from helicobacter pylori with…”. X-ray diffraction, 2 ligands (BIG, CL), 1 pocket (best druggability 0.65). MolNFT v1 #91522 on…
- PDB
- 4FFS
- Type
- protein
- Length
- 232 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- MTA/SAH nucleosidase
- EC
- 3.2.2.9
- UniProt
- Q9ZMY2
- Ligands
- BIG, CL
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 31% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | MTA/SAH nucleosidase (EC 3.2.2.9) | protein | 232 | 38% helix, 31% strand | Q9ZMY2 |
Ligands and binding sites
- BIG · (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl) methyl]-4-[(butylsulfanyl)methyl]pyrrolidin-3-ol · ligand · chains A
- CL · Chloride ion · ion · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 93 | 0.65 | 0.90 | 19 | BIG |
Compared structures
- 4FFS · Crystal structure of 5'-methylthioadenosine/S-adenosylhomocysteine nucleosidase from… · 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 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt Q9ZMY2
- Elsewhere: RCSB PDB 4FFS · PDBe 4FFS · UniProt Q9ZMY2
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