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Apo crystal structure of HCV NS5B genotype 2A JFH-1 isolate with beta hairpin loop deletion

Analyse Apo crystal structure of HCV NS5B genotype 2A JFH-1 isolate with beta hairpin… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4E76
Type: protein
Length: 544 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v2 / PDB Bank
Contract: 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
Owner: 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
Resolution: 2.5
Source: Hepatitis C virus
Molecule: RNA-directed RNA polymerase
EC: 2.7.7.48
UniProt: Q99IB8
Ligands: SO4
Pockets: 6 · best druggability 0.62

Structure

x-ray diffraction · resolution 2.5 · 1 distinct chain · 49% helix, 14% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RNA-directed RNA polymerase (EC 2.7.7.48)	protein	544	49% helix, 14% strand	Q99IB8

Ligands and binding sites

SO4 · Sulfate ion · ion · 7 copies · chains A
EDO · 1,2-ethanediol · additive · chains A

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

Pockets

6 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	441	0.62	0.76	51	SO4, EDO
2	109	0.43	0.77	21	SO4
3	117	0.40	0.75	29	empty
4	88	0.34	0.74	19	empty
5	72	0.30	0.73	17	empty

Compared structures

4E76 · Apo crystal structure of HCV NS5B genotype 2A jfh-1 isolate with beta hairpin loop… · 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 Q99IB8
Elsewhere: RCSB PDB 4E76 · PDBe 4E76 · UniProt Q99IB8

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