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Dengue virus 4 NS3 helicase in complex with amppnp

Analyse Dengue virus 4 NS3 helicase in complex with amppnp in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 2JLR
Type: protein
Length: 439 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Serine protease subunit NS3
EC: 3.4.21.91
UniProt: Q2YHF0
Ligands: ANP, MN
Pockets: 3 · best druggability 0.83

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 19% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Serine protease subunit NS3 (EC 3.4.21.91)	protein	439	33% helix, 19% strand	Q2YHF0

Ligands and binding sites

ANP · Phosphoaminophosphonic acid-adenylate ester · ligand · chains A
MN · Manganese (II) ion · metal · chains A

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	1109	0.83	0.84	88	empty
2	150	0.55	0.82	33	MN, ANP
3	79	0.45	0.81	16	empty

Compared structures

2JLR · Dengue virus 4 NS3 helicase in complex with AMPPNP · 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 Q2YHF0
Elsewhere: RCSB PDB 2JLR · PDBe 2JLR · UniProt Q2YHF0

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