MolNFT v1 · #89806 · protein

Crystal structure of drosophila melanogaster dj-1BETA

4E08 · Dj-1 beta: “Crystal structure of drosophila melanogaster dj-1BETA”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.34). MolNFT v1 #89806 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4E08
Type: protein
Length: 372 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dj-1 beta
UniProt: Q9VA37
Ligands: SO4
Pockets: 3 · best druggability 0.34

Structure

x-ray diffraction · 1 distinct chain · 41% helix, 22% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	Dj-1 beta	protein	186	41% helix, 22% strand	Q9VA37

Ligands and binding sites

SO4 · Sulfate ion · ion · chains A

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

Pockets

3 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	103	0.34	0.73	21	empty
2	62	0.30	0.75	16	empty
3	65	0.30	0.74	16	empty

Interfaces

1 interface between chains.

A–B · 1303 Å² buried · 18 hydrogen bonds · protein-protein

Compared structures

4E08 · Crystal structure of Drosophila melanogaster DJ-1beta · the same entry in another collection · chain A against A, TM-score 1.00
Q9VA37 · AlphaFold monomer V2.0 prediction for protein dj-1BETA (Q9VA37) · a predicted model of the same protein · 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 Q9VA37
Elsewhere: RCSB PDB 4E08 · PDBe 4E08 · UniProt Q9VA37

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