scPDB - 2hwh entry

Protein Data Bank Entry:

PDB ID : 2hwh

Resolution :2.300 Å

Experimental Method : X-ray

Deposition Date : 2006-08-01

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Genome polyprotein
ID:	POLG_HCVBK
AC:	P26663
Organism:	Hepatitis C virus genotype 1b
Reign:	Viruses
TaxID:	11105
EC Number:	2.7.7.48

Chains:

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

Ligand binding site composition:

B-Factor:	31.835
Number of residues:	21
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.982	388.125

% Hydrophobic	% Polar
62.61	37.39
According to VolSite

Ligand :

HET Code:	RNA
Formula:	C16H14N2O4S2
Molecular weight:	362.423 g/mol
DrugBank ID:	DB08481
Buried Surface Area:	50.7 %
Polar Surface area:	122.41 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	1
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	4

Mass center Coordinates

X	Y	Z
8.1795	33.8703	73.3318

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
C16	CD2	LEU- 419	3.81	0	Hydrophobic	false
C9	CD1	LEU- 419	3.76	0	Hydrophobic	false
C13	CB	ARG- 422	3.6	0	Hydrophobic	false
C13	CB	MET- 423	4.2	0	Hydrophobic	false
N1	N	SER- 476	2.94	133.52	H-Bond (Protein Donor)	false
O2	N	TYR- 477	2.6	147.33	H-Bond (Protein Donor)	false
C16	CG1	ILE- 482	3.66	0	Hydrophobic	false
C4	CB	LEU- 497	3.79	0	Hydrophobic	false
S	CD2	LEU- 497	4.07	0	Hydrophobic	false
C8	CD1	LEU- 497	3.98	0	Hydrophobic	false
O14	NH2	ARG- 501	2.86	163.15	H-Bond (Protein Donor)	false
C13	CD2	TRP- 528	3.63	0	Hydrophobic	false
C11	CB	TRP- 528	3.54	0	Hydrophobic	false