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The crystal structure of the inorganic triphosphatase NE1496

Analyse The crystal structure of the inorganic triphosphatase NE1496 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 3TYP
Type: protein
Length: 296 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 1.9
Source: Nitrosomonas europaea
Molecule: Uncharacterized protein
UniProt: Q82UI9
Ligands: NA
Pockets: 2 · best druggability 0.42

Structure

x-ray diffraction · resolution 1.9 · 2 distinct chains · 19% helix, 43% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Uncharacterized protein	protein	146	20% helix, 44% strand	Q82UI9
B	Uncharacterized protein	protein	150	18% helix, 43% strand	Q82UI9

Ligands and binding sites

NA · Sodium ion · metal · 8 copies · chains A, B
EDO · 1,2-ethanediol · additive · 3 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	82	0.42	0.79	17	empty
2	83	0.37	0.76	20	empty

Interfaces

1 interface between chains.

A–B · 807 Å² buried · 10 hydrogen bonds · protein-protein

Compared structures

3TYP · The crystal structure of the inorganic triphosphatase NE1496 · the same entry in another collection · chain A against A, TM-score 1.00
Q82UI9 · AlphaFold monomer V2.0 prediction for inorganic triphosphatase (Q82UI9) · 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 Q82UI9
Elsewhere: RCSB PDB 3TYP · PDBe 3TYP · UniProt Q82UI9

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