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Crystal structure of hepatitis C virus NS3 helicase with a novel inhibitor

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

PDB: 2ZJO
Type: protein
Length: 444 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: Genome polyprotein
EC: 3.4.21.98
UniProt: P29846
Ligands: BHT
Pockets: 4 · best druggability 0.55

Structure

x-ray diffraction · 1 distinct chain · 33% helix, 20% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	Genome polyprotein (EC 3.4.21.98)	protein	444	33% helix, 20% strand	P29846

Ligands and binding sites

BHT · N-[4-(bis{4-[(3-sulfophenyl)amino]phenyl}methylene)cyclohexa-2,5-dien-1-ylidene]-4-sulfobenzenaminium · ligand · chains A

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

Pockets

4 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	337	0.55	0.75	32	empty
2	83	0.34	0.75	18	empty
3	59	0.30	0.75	11	empty
4	63	0.27	0.73	21	empty

Compared structures

2ZJO · Crystal structure of hepatitis C virus NS3 helicase with a novel inhibitor · 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 P29846
Elsewhere: RCSB PDB 2ZJO · PDBe 2ZJO · UniProt P29846

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