MolNFT v1 · #74526 · protein
Crystal structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pcl-phenylthiodadmeimma
3OZC · S-methyl-5'-thioadenosine phosphorylase: “Crystal structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with pcl-phenylthiodadmeimma”. X-ray diffraction, 2 ligands (4CT, PO4), 3 pockets (best druggability 0.66).…
- PDB
- 3OZC
- Type
- protein
- Length
- 273 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- S-methyl-5'-thioadenosine phosphorylase
- EC
- 2.4.2.28
- UniProt
- Q13126
- Ligands
- 4CT, PO4
- Pockets
- 3 · best druggability 0.66
Structure
x-ray diffraction · 1 distinct chain · 32% helix, 26% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | S-methyl-5'-thioadenosine phosphorylase (EC 2.4.2.28) | protein | 273 | 32% helix, 26% strand | Q13126 |
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
- PO4 · Phosphate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 203 | 0.66 | 0.84 | 30 | 4CT, PO4 |
| 2 | 57 | 0.37 | 0.79 | 17 | empty |
| 3 | 69 | 0.34 | 0.76 | 14 | empty |
Compared structures
- 3OZC · Crystal Structure of human 5'-deoxy-5'-methyladenosine phosphorylase in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
- Q13126 · AlphaFold monomer V2.0 prediction for S-methyl-5'-thioadenosine phosphorylase (Q13126) · 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 Q13126
- Elsewhere: RCSB PDB 3OZC · PDBe 3OZC · UniProt Q13126
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