MolNFT v1 · #14759 · protein

Structure of inorganic pyrophosphatase mutant D65N

1MJX: “Structure of inorganic pyrophosphatase mutant D65N”. X-ray diffraction, 1 ligand (SO4), 4 pockets (best druggability 0.72). MolNFT v1 #14759 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 1MJX
Type: protein
Length: 350 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Inorganic pyrophosphatase
EC: 3.6.1.1
UniProt: P0A7A9
Ligands: SO4
Pockets: 4 · best druggability 0.72

Structure

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

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Inorganic pyrophosphatase (EC 3.6.1.1)	protein	175	21% helix, 34% strand	P0A7A9

Ligands and binding sites

SO4 · Sulfate ion · ion · 2 copies · chains A, B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	806	0.72	0.77	52	empty
2	267	0.59	0.79	40	SO4
3	243	0.53	0.77	34	SO4
4	55	0.35	0.79	19	empty

Interfaces

1 interface between chains.

A–B · 193 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

1MJX · Structure of inorganic pyrophosphatase mutant D65N · the same entry in another collection · chain A against A, TM-score 1.00
P0A7A9 · AlphaFold monomer V2.0 prediction for inorganic pyrophosphatase (P0A7A9) · a predicted model of the same protein · chain A against A, TM-score 0.99

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 P0A7A9
Elsewhere: RCSB PDB 1MJX · PDBe 1MJX · UniProt P0A7A9

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