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Apo crystal structure of HCV NS5B genotype 2A jfh-1 isolate with E86Q E87Q S15G C223H V321I and DELTA8 mutations

Analyse Apo crystal structure of HCV NS5B genotype 2A jfh-1 isolate with E86Q E87Q S15G… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB: 4WT9
Type: protein
Length: 544 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: Q99IB8
Ligands: CL
Pockets: 6 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 50% helix, 15% strand (DSSP).

Chain	Molecule	Type	Residues	Secondary structure	UniProt
A	RNA-directed RNA polymerase (EC 2.7.7.48)	protein	544	50% helix, 15% strand	Q99IB8

Ligands and binding sites

CL · Chloride ion · ion · chains A
EPE · 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid · additive · chains A
PG6 · 1-(2-methoxy-ethoxy)-2-{2-[2-(2-methoxy-ethoxy]-ethoxy}-ethane · 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	569	0.64	0.76	67	EPE
2	163	0.46	0.76	28	PG6
3	69	0.40	0.79	16	empty
4	79	0.33	0.74	16	empty
5	78	0.31	0.73	15	empty

Compared structures

4WT9 · Apo crystal structure of HCV NS5B genotype 2A jfh-1 isolate with E86Q E87Q S15G C223H… · the same entry in another collection · chain A against A, TM-score 1.00

Analyse

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Every structure of UniProt Q99IB8
Elsewhere: RCSB PDB 4WT9 · PDBe 4WT9 · UniProt Q99IB8

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