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Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4- carbonitrile, H32 crystal form

Analyse Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3EJ2
Type: protein
Length: 182 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inorganic pyrophosphatase
EC: 3.6.1.1
UniProt: Q3JUV5
Ligands: 928
Pockets: 1 · best druggability 0.53

Structure

x-ray diffraction · 1 distinct chain · 21% helix, 34% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Inorganic pyrophosphatase (EC 3.6.1.1)	protein	182	21% helix, 34% strand	Q3JUV5

Ligands and binding sites

928 · 5-amino-1-(4-chlorophenyl)-1H-pyrazole-4-carbonitrile · ligand · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	156	0.53	0.80	28	empty

Compared structures

3EJ2 · Crystal structure of inorganic pyrophosphatase from burkholderia pseudomallei with bound… · 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 Q3JUV5
Elsewhere: RCSB PDB 3EJ2 · PDBe 3EJ2 · UniProt Q3JUV5

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