MolNFT v1 · #138711 · protein

Crystal structure of type I inorganic pyrophosphatase from toxoplasma gondii.

5WRT · Soluble inorganic pyrophosphatase: “Crystal structure of type I inorganic pyrophosphatase from toxoplasma gondii.”. X-ray diffraction, 1 ligand (MG), 7 pockets (best druggability 0.54). MolNFT v1 #138711 on GenesisL1: 3D structure…

PDB: 5WRT
Type: protein
Length: 467 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Soluble inorganic pyrophosphatase
UniProt: Q4VUZ3
Ligands: MG
Pockets: 7 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 21% helix, 32% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Soluble inorganic pyrophosphatase	protein	235	21% helix, 31% strand	Q4VUZ3
B	Soluble inorganic pyrophosphatase	protein	232	21% helix, 32% strand	Q4VUZ3

Ligands and binding sites

MG · Magnesium ion · metal · 4 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

7 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	203	0.54	0.78	30	MG
2	122	0.52	0.81	22	MG
3	115	0.47	0.79	22	empty
4	84	0.46	0.81	22	empty
5	117	0.40	0.75	24	empty

Interfaces

1 interface between chains.

A–B · 957 Å² buried · 20 hydrogen bonds · protein-protein

Compared structures

5WRT · Crystal structure of type I inorganic pyrophosphatase from Toxoplasma gondii. · 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 Q4VUZ3
Elsewhere: RCSB PDB 5WRT · PDBe 5WRT · UniProt Q4VUZ3

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