MolNFT v1 · #143691 · protein
Crystal structure of purine nucleoside phosphorylase isoform 2 from schistosoma mansoni in complex WITH3-(4-chlorophenyl)-5H,6H- IMIDAZO[2,1-B][1,3]THIAZOLE
6B71: “Crystal structure of purine nucleoside phosphorylase isoform 2 from schistosoma mansoni in complex…”. X-ray diffraction, 1 ligand (A5H), 1 pocket (best druggability 0.65). MolNFT v1 #143691 on GenesisL1: 3D structure, binding sites…
- PDB
- 6B71
- Type
- protein
- Length
- 281 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Purine nucleoside phosphorylase
- EC
- 2.4.2.1
- UniProt
- A0A0U3AGT1
- Ligands
- A5H
- Pockets
- 1 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Purine nucleoside phosphorylase (EC 2.4.2.1) | protein | 281 | 39% helix, 24% strand | A0A0U3AGT1 |
Ligands and binding sites
- A5H · 3-(4-chlorophenyl)-5,6-dihydroimidazo[2,1-B][1, 3]thiazole · ligand · chains A
- DMS · Dimethyl sulfoxide · additive · 5 copies · 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 | 326 | 0.65 | 0.80 | 42 | DMS |
Modifications
Observed in the structure: 1 modified (artifact).
Compared structures
- 6B71 · Crystal Structure of Purine Nucleoside Phosphorylase Isoform 2 from Schistosoma mansoni… · the same entry in another collection · 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 A0A0U3AGT1
- Elsewhere: RCSB PDB 6B71 · PDBe 6B71 · UniProt A0A0U3AGT1
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