MolNFT v1 · #112437 · protein

Crystal structure of the roq domain of human roquin-2

4ZLC: “Crystal structure of the roq domain of human roquin-2”. X-ray diffraction, 3 pockets (best druggability 0.67). MolNFT v1 #112437 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 4ZLC
Type: protein
Length: 606 residues
Chains: 4
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Roquin-2
UniProt: Q9HBD1
Pockets: 3 · best druggability 0.67

Structure

x-ray diffraction · 4 distinct chains · 62% helix, 7% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Roquin-2	protein	155	62% helix, 6% strand	Q9HBD1
B	Roquin-2	protein	153	62% helix, 7% strand	Q9HBD1
C	Roquin-2	protein	147	62% helix, 7% strand	Q9HBD1
D	Roquin-2	protein	151	62% helix, 7% strand	Q9HBD1

Pockets

3 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	620	0.67	0.76	81	empty
2	50	0.29	0.76	14	empty
3	52	0.27	0.74	13	empty

Interfaces

5 interfaces between chains.

B–C · 995 Å² buried · 24 hydrogen bonds · protein-protein
A–D · 948 Å² buried · 21 hydrogen bonds · protein-protein
A–B · 503 Å² buried · 11 hydrogen bonds · protein-protein
A–C · 111 Å² buried · 0 hydrogen bonds · protein-protein
B–D · 68 Å² buried · 0 hydrogen bonds · protein-protein

Compared structures

4ZLC · Crystal structure of the ROQ domain of human Roquin-2 · the same entry in another collection · chain D against D, TM-score 1.00
Q9HBD1 · AlphaFold monomer V2.0 prediction for roquin-2 (Q9HBD1) · a predicted model of the same protein · chain C 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 Q9HBD1
Elsewhere: RCSB PDB 4ZLC · PDBe 4ZLC · UniProt Q9HBD1

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