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Crystal structure of kunjin virus NS3 helicase

Analyse Crystal structure of kunjin virus NS3 helicase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2QEQ
Type: protein
Length: 806 residues
Chains: 2
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Flavivirin protease NS3 catalytic subunit
EC: 3.4.21.91
UniProt: P14335
Pockets: 12 · best druggability 0.82

Structure

x-ray diffraction · 2 distinct chains · 32% helix, 18% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Flavivirin protease NS3 catalytic subunit (EC 3.4.21.91)	protein	415	33% helix, 17% strand	P14335
B	Flavivirin protease NS3 catalytic subunit (EC 3.4.21.91)	protein	391	31% helix, 19% strand	P14335

Pockets

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

Pocket	Volume (Å³)	Druggability	Buriedness	Lining residues	Inside
1	918	0.82	0.84	80	empty
2	912	0.76	0.79	73	empty
3	1161	0.75	0.78	84	empty
4	204	0.73	0.89	34	empty
5	94	0.57	0.85	19	empty

Interfaces

1 interface between chains.

A–B · 844 Å² buried · 5 hydrogen bonds · protein-protein

Compared structures

2QEQ · Crystal structure of kunjin virus ns3 helicase · 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 P14335
Elsewhere: RCSB PDB 2QEQ · PDBe 2QEQ · UniProt P14335

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