MolNFT v1 · #49878 · protein

Norepinephrine quinone conjugation to dj-1

2R1V: “Norepinephrine quinone conjugation to dj-1”. X-ray diffraction, 5 pockets (best druggability 0.54). MolNFT v1 #49878 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 2R1V
Type: protein
Length: 374 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Dj-1
UniProt: Q99497
Pockets: 5 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 42% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Dj-1	protein	187	43% helix, 21% strand	Q99497
B	Dj-1	protein	187	42% helix, 21% strand	Q99497

Pockets

5 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	150	0.54	0.80	22	empty
2	79	0.40	0.78	18	empty
3	52	0.39	0.81	13	empty
4	75	0.39	0.78	19	empty
5	52	0.39	0.81	13	empty

Interfaces

1 interface between chains.

A–B · 1416 Å² buried · 21 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 1 modified (nonstandard).

Compared structures

2R1V · Norepinephrine qui conjugation to DJ-1 · the same entry in another collection · chain A against A, TM-score 1.00
Q99497 · AlphaFold monomer V2.0 prediction for parkinson disease protein 7 (Q99497) · 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 Q99497
Elsewhere: RCSB PDB 2R1V · PDBe 2R1V · UniProt Q99497

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