MolNFT v1 · #52849 · protein

Crystal structure of hepatitis C virus NS5B polymerase in complex with thienopyrrole-based finger-loop inhibitors

2WCX · RNA-directed RNA polymerase: “Crystal structure of hepatitis C virus NS5B polymerase in complex with thienopyrrole-based finger-loop…”. X-ray diffraction, 2 ligands (VGC, MN), 8 pockets (best druggability 0.70). MolNFT v1 #52849 on…

PDB: 2WCX
Type: protein
Length: 512 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: P26663
Ligands: VGC, MN
Pockets: 8 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 51% helix, 16% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RNA-directed RNA polymerase (EC 2.7.7.48)	protein	512	51% helix, 16% strand	P26663

Ligands and binding sites

VGC · 6-cyclohexyl-4-methyl-5-phenyl-4H-thieno[3,2-b]pyrrole-2-carboxylic acid · ligand · chains A
MN · Manganese (II) ion · metal · 2 copies · chains A

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

Pockets

8 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	650	0.70	0.78	66	MN
2	189	0.50	0.76	24	empty
3	109	0.44	0.77	17	VGC
4	66	0.39	0.79	14	empty
5	79	0.38	0.77	18	empty

Compared structures

2WCX · Crystal Structure of Hepatitis C Virus NS5B Polymerase in Complex with… · 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 P26663
Elsewhere: RCSB PDB 2WCX · PDBe 2WCX · UniProt P26663

GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.