MolNFT v1 · #123999 · protein
Joint X-RAY/NEUTRON structure of mtan complex with P-clph-thio-dadme- imma
5K1Z · Aminodeoxyfutalosine nucleosidase: “Joint X-RAY/NEUTRON structure of mtan complex with P-clph-thio-dadme- imma”. Neutron diffraction; x-ray diffraction, 1 ligand (4CT), 1 pocket (best druggability 0.61). MolNFT v1 #123999 on…
- PDB
- 5K1Z
- Type
- protein
- Length
- 229 residues
- Chains
- 1
- Method
- neutron diffraction; x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aminodeoxyfutalosine nucleosidase
- EC
- 3.2.2.30, 3.2.2.9
- UniProt
- Q9ZMY2
- Ligands
- 4CT
- Pockets
- 1 · best druggability 0.61
Structure
neutron diffraction; x-ray diffraction · 1 distinct chain · 39% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aminodeoxyfutalosine nucleosidase (EC 3.2.2.30, 3.2.2.9) | protein | 229 | 39% helix, 29% strand | Q9ZMY2 |
Ligands and binding sites
- 4CT · (3R,4S)-1-[(4-amino-5H-pyrrolo[3,2-d]pyrimidin-7-yl) methyl]-4-{[(4-chlorophenyl) sulfanyl]methyl}pyrrolidin-3-ol · 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.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 93 | 0.61 | 0.88 | 19 | 4CT |
Compared structures
- 5K1Z · Joint X-ray/neutron structure of MTAN complex with p-ClPh-Thio-DADMe-ImmA · 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
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 5K1Z · PDBe 5K1Z · UniProt Q9ZMY2
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