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Structure of rotavirus NSP1 bound to irf-3

Analyse Structure of rotavirus NSP1 bound to irf-3 in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 5JER
Type: protein
Length: 976 residues
Chains: 8
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Rotavirus NSP1 peptide; Interferon regulatory factor 3
UniProt: Q14653
Pockets: 14 · best druggability 0.77

Structure

x-ray diffraction · 2 distinct chains · 22% helix, 29% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
B, D, F, H	Rotavirus NSP1 peptide	protein	10	0% helix, 10% strand	—
A, C, E, G	Interferon regulatory factor 3	protein	234	23% helix, 30% strand	Q14653

Pockets

14 pockets found on a 1 Å grid, 6 with a druggability of 0.5 or more.

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	800	0.77	0.81	113	empty
2	717	0.76	0.81	100	empty
3	291	0.58	0.78	42	empty
4	317	0.57	0.77	39	empty
5	103	0.55	0.84	20	empty

Interfaces

10 interfaces between chains.

C–G · 1186 Å² buried · 10 hydrogen bonds · protein-protein
A–E · 1170 Å² buried · 9 hydrogen bonds · protein-protein
H–G · 563 Å² buried · 5 hydrogen bonds · protein-protein
D–C · 562 Å² buried · 6 hydrogen bonds · protein-protein
F–E · 539 Å² buried · 3 hydrogen bonds · protein-protein

Compared structures

5JER · Structure of Rotavirus NSP1 bound to IRF-3 · the same entry in another collection · chain A against A, TM-score 1.00
Q14653 · AlphaFold monomer V2.0 prediction for interferon regulatory factor 3 (Q14653) · a predicted model of the same protein · chain A 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 Q14653
Elsewhere: RCSB PDB 5JER · PDBe 5JER · UniProt Q14653

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