MolNFT v1 · #76746 · protein

Crystal structure of irf-3 dbd free form

3QU6 · IRF3 protein: “Crystal structure of irf-3 dbd free form”. X-ray diffraction, 3 ligands (ZN, NA, CL), 3 pockets (best druggability 0.66). MolNFT v1 #76746 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB: 3QU6
Type: protein
Length: 293 residues
Chains: 3
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: IRF3 protein
UniProt: Q7Z5G6
Ligands: ZN, NA, CL
Pockets: 3 · best druggability 0.66

Structure

x-ray diffraction · 2 distinct chains · 33% helix, 21% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A, B	IRF3 protein	protein	98	33% helix, 22% strand	Q7Z5G6
C	IRF3 protein	protein	97	33% helix, 20% strand	Q7Z5G6

Ligands and binding sites

ZN · Zinc ion · metal · 9 copies · chains A, C, B
NA · Sodium ion · metal · 3 copies · chains A, B
CL · Chloride ion · ion · 7 copies · chains A, B, C

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

Pockets

3 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	447	0.66	0.79	61	NA, CL
2	169	0.54	0.80	24	empty
3	65	0.38	0.78	19	empty

Interfaces

2 interfaces between chains.

A–B · 812 Å² buried · 21 hydrogen bonds · protein-protein
A–C · 420 Å² buried · 2 hydrogen bonds · protein-protein

Compared structures

3QU6 · Crystal structure of IRF-3 DBD free form · the same entry in another collection · 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 Q7Z5G6
Elsewhere: RCSB PDB 3QU6 · PDBe 3QU6 · UniProt Q7Z5G6

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