MolNFT v1 · #24717 · protein

Crystal structure of human pnp complexed with 8-azaguanine

1V41 · Purine nucleoside phosphorylase: “Crystal structure of human pnp complexed with 8-azaguanine”. X-ray diffraction, 2 ligands (AZG, SO4), 2 pockets (best druggability 0.57). MolNFT v1 #24717 on GenesisL1: 3D structure, binding sites…

PDB: 1V41
Type: protein
Length: 288 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: P00491
Ligands: AZG, SO4
Pockets: 2 · best druggability 0.57

Structure

x-ray diffraction · 1 distinct chain · 32% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
E	Purine nucleoside phosphorylase (EC 2.4.2.1)	protein	288	32% helix, 22% strand	P00491

Ligands and binding sites

AZG · 5-amino-1H-[1,2,3]triazolo[4,5-d]pyrimidin-7-ol · ligand · chains E
SO4 · Sulfate ion · ion · 4 copies · chains E

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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	170	0.57	0.81	38	SO4, AZG
2	68	0.32	0.75	20	SO4

Compared structures

1V41 · Crystal structure of human PNP complexed with 8-Azaguanine · the same entry in another collection · chain E against E, TM-score 1.00
P00491 · AlphaFold monomer V2.0 prediction for purine nucleoside phosphorylase (P00491) · a predicted model of the same protein · chain E against A, TM-score 0.95

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 P00491
Elsewhere: RCSB PDB 1V41 · PDBe 1V41 · UniProt P00491

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