MolNFT v1 · #135737 · protein

Crystal structure of a nucleoside triphosphate diphosphohydrolase (ntpdase) from the legume trifolium repens in complex with adenine and phosphate

5U7W · Apyrase: “Crystal structure of a nucleoside triphosphate diphosphohydrolase (ntpdase) from the legume trifolium repens…”. X-ray diffraction, 2 ligands (ADE, PO4), 3 pockets (best druggability 0.58). MolNFT v1 #135737 on GenesisL1…

PDB: 5U7W
Type: protein
Length: 404 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Apyrase
EC: 3.6.1.5
UniProt: B9U139
Ligands: ADE, PO4
Pockets: 3 · best druggability 0.58

Structure

x-ray diffraction · 1 distinct chain · 38% helix, 25% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Apyrase (EC 3.6.1.5)	protein	404	38% helix, 25% strand	B9U139

Ligands and binding sites

ADE · Adenine · ligand · chains A
PO4 · Phosphate ion · ion · 2 copies · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	432	0.58	0.75	58	ADE, PO4
2	64	0.33	0.76	20	empty
3	57	0.30	0.75	13	empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

5U7W · Crystal structure of a nucleoside triphosphate diphosphohydrolase (NTPDase) from the… · 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 B9U139
Elsewhere: RCSB PDB 5U7W · PDBe 5U7W · UniProt B9U139

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.