scPDB - 1hrv entry

Protein Data Bank Entry:

PDB ID : 1hrv

Resolution :3.000 Å

Experimental Method : X-ray

Deposition Date : 1995-03-02

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_HRV14
AC:	P03303
Organism:	Human rhinovirus 14
Reign:	Viruses
TaxID:	12131
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
1	94 %
3	6 %

Ligand binding site composition:

B-Factor:	13.016
Number of residues:	35
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.899	705.375

% Hydrophobic	% Polar
67.46	32.54
According to VolSite

Ligand :

HET Code:	SDZ
Formula:	C24H34N3O2
Molecular weight:	396.546 g/mol
DrugBank ID:	DB08543
Buried Surface Area:	61.25 %
Polar Surface area:	50.03 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	2
Rings:	4
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	7

Mass center Coordinates

X	Y	Z
41.6978	1.30538	123.917

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
C24	CB	ALA- 24	3.23	0	Hydrophobic	false
C15	CD1	ILE- 104	3.68	0	Hydrophobic	false
C7	CD2	LEU- 106	3.31	0	Hydrophobic	false
C9	CB	LEU- 106	4.03	0	Hydrophobic	false
C7	CZ	PHE- 124	3.79	0	Hydrophobic	false
O1	OH	TYR- 128	2.86	151.27	H-Bond (Ligand Donor)	false
C12	CE2	TYR- 128	3.97	0	Hydrophobic	false
C20	CB	TYR- 152	3.67	0	Hydrophobic	false
C24	CB	PRO- 174	3.52	0	Hydrophobic	false
C25	CG	PRO- 174	4.1	0	Hydrophobic	false
C23	CG2	VAL- 176	3.92	0	Hydrophobic	false
C23	CZ	PHE- 186	3.42	0	Hydrophobic	false
C25	CE2	PHE- 186	3.68	0	Hydrophobic	false
C13	CG1	VAL- 188	3.63	0	Hydrophobic	false
C25	CG2	VAL- 188	4.44	0	Hydrophobic	false
C19	CG2	VAL- 188	3.77	0	Hydrophobic	false
C13	CG2	VAL- 191	4.03	0	Hydrophobic	false
C5	CB	TYR- 197	4.01	0	Hydrophobic	false
C7	CE2	TYR- 197	3.85	0	Hydrophobic	false
C4	SG	CYS- 199	4.38	0	Hydrophobic	false
C3	CD1	ILE- 215	3.94	0	Hydrophobic	false
C16	CE	MET- 224	4.24	0	Hydrophobic	false
C20	SD	MET- 224	4.48	0	Hydrophobic	false
C21	CE	MET- 224	4.04	0	Hydrophobic	false
C22	SD	MET- 224	3.51	0	Hydrophobic	false