scPDB - 2vqz entry

Protein Data Bank Entry:

PDB ID : 2vqz

Resolution :2.300 Å

Experimental Method : X-ray

Deposition Date : 2008-03-21

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Polymerase basic protein 2
ID:	PB2_I75A3
AC:	P31345
Organism:	Influenza A virus
Reign:	Viruses
TaxID:	392809
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	53.909
Number of residues:	25
Including
Standard Amino Acids:	24
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.247	486.000

% Hydrophobic	% Polar
47.92	52.08
According to VolSite

Ligand :

HET Code:	MGT
Formula:	C11H16N5O14P3
Molecular weight:	535.191 g/mol
DrugBank ID:	DB03358
Buried Surface Area:	54.95 %
Polar Surface area:	324.22 Å2

Number of
H-Bond Acceptors:	18
H-Bond Donors:	4
Rings:	3
Aromatic rings:	0
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
29.8909	-2.89485	-62.1891

Binding mode :

What is Poseview ?

2D View
3D View

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
C4'	CD1	PHE- 323	3.42	0	Hydrophobic	false
O1G	CZ	ARG- 355	3.73	0	Ionic (Protein Cationic)	false
O2G	CZ	ARG- 355	3.17	0	Ionic (Protein Cationic)	false
O1G	NH1	ARG- 355	2.95	149.66	H-Bond (Protein Donor)	false
O1G	NE2	HIS- 357	3.47	156.64	H-Bond (Protein Donor)	false
DuAr	DuAr	HIS- 357	3.74	0	Aromatic Face/Face	false
N1	OE2	GLU- 361	3.35	132.97	H-Bond (Ligand Donor)	false
N1	OE1	GLU- 361	3.07	171.25	H-Bond (Ligand Donor)	false
N2	OE2	GLU- 361	2.96	153.28	H-Bond (Ligand Donor)	false
CM7	CE1	PHE- 404	3.78	0	Hydrophobic	false
CM7	CG	GLN- 406	4.32	0	Hydrophobic	false
CM7	CE	MET- 431	4.21	0	Hydrophobic	false
O2A	NE2	HIS- 432	3.4	146.9	H-Bond (Protein Donor)	false