MolNFT v1 · #104682 · protein

X-ray structure of the roq domain from murine roquin-1

4QI0: “X-ray structure of the roq domain from murine roquin-1”. X-ray diffraction, 2 pockets (best druggability 0.42). MolNFT v1 #104682 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4QI0
Type: protein
Length: 315 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Roquin-1
UniProt: Q4VGL6
Pockets: 2 · best druggability 0.42

Structure

x-ray diffraction · 2 distinct chains · 61% helix, 9% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Roquin-1	protein	153	62% helix, 10% strand	Q4VGL6
B	Roquin-1	protein	162	59% helix, 7% strand	Q4VGL6

Ligands and binding sites

EDO · 1,2-ethanediol · additive · 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, 0 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	139	0.42	0.75	22	empty
2	62	0.30	0.75	15	empty

Interfaces

1 interface between chains.

A–B · 917 Å² buried · 19 hydrogen bonds · protein-protein

Compared structures

4QI0 · X-ray structure of the ROQ domain from murine Roquin-1 · the same entry in another collection · chain A against A, TM-score 1.00
Q4VGL6 · AlphaFold monomer V2.0 prediction for roquin-1 (Q4VGL6) · a predicted model of the same protein · chain A against A, TM-score 0.98

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 Q4VGL6
Elsewhere: RCSB PDB 4QI0 · PDBe 4QI0 · UniProt Q4VGL6

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