MolNFT v1 · #174378 · protein

Crystal structure of human inorganic pyrophosphatase with metal ions

7BTN: “Crystal structure of human inorganic pyrophosphatase with metal ions”. X-ray diffraction, 1 ligand (MG), 2 pockets (best druggability 0.56). MolNFT v1 #174378 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 7BTN
Type: protein
Length: 275 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inorganic pyrophosphatase
EC: 3.6.1.1
UniProt: Q15181
Ligands: MG
Pockets: 2 · best druggability 0.56

Structure

x-ray diffraction · 1 distinct chain · 20% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Inorganic pyrophosphatase (EC 3.6.1.1)	protein	275	20% helix, 29% strand	Q15181

Ligands and binding sites

MG · Magnesium ion · metal · 2 copies · 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.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	245	0.56	0.78	37	MG
2	100	0.34	0.73	20	empty

Compared structures

7BTN · Crystal structure of human inorganic pyrophosphatase with metal ions · the same entry in another collection · chain A against A, TM-score 1.00
Q15181 · AlphaFold monomer V2.0 prediction for inorganic pyrophosphatase (Q15181) · a predicted model of the same protein · chain A against A, TM-score 0.96

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 Q15181
Elsewhere: RCSB PDB 7BTN · PDBe 7BTN · UniProt Q15181

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