MolNFT v1 · #64000 · protein

Hepatitis C virus polymerase NS5B (CON1 1-570) with HCV-796 inhibitor

3FQL · RNA-directed RNA polymerase: “Hepatitis C virus polymerase NS5B (CON1 1-570) with HCV-796 inhibitor”. X-ray diffraction, 1 ligand (79Z), 5 pockets (best druggability 0.82). MolNFT v1 #64000 on GenesisL1: 3D structure, binding sites…

PDB: 3FQL
Type: protein
Length: 560 residues
Chains: 1
Method: x-ray diffraction
Collection: MolNFT v1 / PDB
Contract: 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner: 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule: RNA-directed RNA polymerase
EC: 2.7.7.48
UniProt: Q9WMX2
Ligands: 79Z
Pockets: 5 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 49% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RNA-directed RNA polymerase (EC 2.7.7.48)	protein	560	49% helix, 15% strand	Q9WMX2

Ligands and binding sites

79Z · 5-cyclopropyl-2-(4-fluorophenyl)-6-[(2-hydroxyethyl)(methylsulfonyl)amino]-N-methyl-1-benzofuran-3-carboxamide · ligand · chains A
GOL · Glycerol · additive · 2 copies · chains A

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

Pockets

5 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	1125	0.82	0.83	91	79Z
2	119	0.48	0.79	15	empty
3	75	0.37	0.77	18	empty
4	88	0.37	0.75	21	empty
5	58	0.31	0.76	14	empty

Compared structures

3FQL · Hepatitis C virus polymerase NS5B (CON1 1-570) with HCV-796 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 Q9WMX2
Elsewhere: RCSB PDB 3FQL · PDBe 3FQL · UniProt Q9WMX2

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