MolNFT v1 · #107019 · protein

Crystal structure of N-terminus of roquin

4TXA · Roquin-1: “Crystal structure of N-terminus of roquin”. X-ray diffraction, 1 ligand (ZN), 5 pockets (best druggability 0.66). MolNFT v1 #107019 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4TXA
Type: protein
Length: 367 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Roquin-1
UniProt: Q4VGL6
Ligands: ZN
Pockets: 5 · best druggability 0.66

Structure

x-ray diffraction · 1 distinct chain · 56% helix, 5% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Roquin-1	protein	367	56% helix, 5% strand	Q4VGL6

Ligands and binding sites

ZN · Zinc ion · metal · 2 copies · chains A

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

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	70	0.66	0.93	17	empty
2	250	0.56	0.78	26	empty
3	155	0.49	0.78	22	empty
4	92	0.43	0.78	20	empty
5	66	0.40	0.79	17	empty

Compared structures

4TXA · Crystal structure of N-terminus of Roquin · 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 0.97

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 4TXA · PDBe 4TXA · UniProt Q4VGL6

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