scPDB - 2gc8 entry

Protein Data Bank Entry:

PDB ID : 2gc8

Resolution :2.200 Å

Experimental Method : X-ray

Deposition Date : 2006-03-13

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Polyprotein
ID:	Q99AU2_9HEPC
AC:	Q99AU2
Organism:	Hepatitis C virus subtype 1b
Reign:	Viruses
TaxID:	31647
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
A	100 %

Ligand binding site composition:

B-Factor:	19.249
Number of residues:	25
Including
Standard Amino Acids:	23
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.686	1755.000

% Hydrophobic	% Polar
31.35	68.65
According to VolSite

Ligand :

HET Code:	885
Formula:	C12H14ClN2O4S
Molecular weight:	317.769 g/mol
DrugBank ID:	DB07273
Buried Surface Area:	51.18 %
Polar Surface area:	111.91 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	2
Aromatic rings:	1
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	3

Mass center Coordinates

X	Y	Z
10.2844	45.0151	51.5556

Binding mode :

What is Poseview ?

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Image generated by PoseView

Protein

Binding Site

Ligand

Interaction pattern

hydrophobic (CA)

aromatic (CZ)

hydrogen bond acceptor (O)

hydrogen bond acceptor/donor (OG)

hydrogen bond donor (N)

positively ionized (NZ)

negatively ionized (OD1)

metal (ZN)

Legend:

Represent the protein/ligand binding mode, centered on the ligand
Dashed lines represents hydrogen bonds and metal interactions
Green residue labels for amino acids with hydrophobic contacts (green lines) to the ligand

Image generated using PoseView by BioSolveIT

Ligand	Protein		Interaction
Atom	Atom	Residue	Distance (Å)	Angle (°)	Type
C1	CG	PRO- 197	4.24	0	Hydrophobic	false
CL	CD	ARG- 200	3.54	0	Hydrophobic	false
CL	CB	CYS- 366	3.37	0	Hydrophobic	false
C6	CB	CYS- 366	3.92	0	Hydrophobic	false
C1	CD2	LEU- 384	3.45	0	Hydrophobic	false
CL	CD2	LEU- 384	3.92	0	Hydrophobic	false
C3	CE	MET- 414	3.61	0	Hydrophobic	false
C1	CZ	TYR- 415	3.57	0	Hydrophobic	false
O4	NE2	GLN- 446	2.77	141.26	H-Bond (Protein Donor)	false
O1	N	TYR- 448	2.98	166.86	H-Bond (Protein Donor)	false
O4	N	GLY- 449	2.77	153.35	H-Bond (Protein Donor)	false