MolNFT v1 · #31053 · protein
Purine nucleoside phosphorylase from calf spleen
2AI2: “Purine nucleoside phosphorylase from calf spleen”. X-ray diffraction, 3 ligands (P1D, MG, ZN), 2 pockets (best druggability 0.59). MolNFT v1 #31053 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 2AI2
- Type
- protein
- Length
- 274 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
- P55859
- Ligands
- P1D, MG, ZN
- Pockets
- 2 · best druggability 0.59
Structure
x-ray diffraction · 1 distinct chain · 36% helix, 24% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Purine nucleoside phosphorylase (EC 2.4.2.1) | protein | 274 | 36% helix, 24% strand | P55859 |
Ligands and binding sites
- P1D · ((2s,3as,4r,6s)-4-(hydroxymethyl)-6-(4-oxo-4,5-dihydro-3H-pyrrolo[3,2-d]pyrimidin-7-yl)-tetrahydrofuro[3,4-d][1,3]dioxo L-2-yl)methylphosphonic acid · ligand · chains A
- MG · Magnesium ion · metal · chains A
- ZN · Zinc ion · metal · chains A
- 144 · Tris-hydroxymethyl-methyl-ammonium · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 222 | 0.59 | 0.80 | 32 | P1D |
| 2 | 50 | 0.24 | 0.72 | 12 | empty |
Compared structures
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 P55859
- Elsewhere: RCSB PDB 2AI2 · PDBe 2AI2 · UniProt P55859
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