scPDB - 3v5w entry

Protein Data Bank Entry:

PDB ID : 3v5w

Resolution :2.070 Å

Experimental Method : X-ray

Deposition Date : 2011-12-17

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Beta-adrenergic receptor kinase 1
ID:	ARBK1_HUMAN
AC:	P25098
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.15

Chains:

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

Ligand binding site composition:

B-Factor:	60.742
Number of residues:	36
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.508	587.250

% Hydrophobic	% Polar
46.55	53.45
According to VolSite

Ligand :

HET Code:	8PR
Formula:	C19H21FNO3
Molecular weight:	330.373 g/mol
DrugBank ID:	DB00715
Buried Surface Area:	78 %
Polar Surface area:	44.3 Å2

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

Mass center Coordinates

X	Y	Z
15.6501	-11.4198	52.5875

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
CAG	CD1	ILE- 197	3.89	0	Hydrophobic	false
CAL	CG1	VAL- 205	4.47	0	Hydrophobic	false
CAS	CG2	VAL- 205	3.72	0	Hydrophobic	false
CAU	CG1	VAL- 205	3.51	0	Hydrophobic	false
CAC	CG2	VAL- 205	3.44	0	Hydrophobic	false
CAL	CB	ALA- 218	3.48	0	Hydrophobic	false
CAU	CB	ALA- 218	4.32	0	Hydrophobic	false
FAA	CG	LYS- 220	4.19	0	Hydrophobic	false
CAR	CD2	LEU- 222	4.43	0	Hydrophobic	false
CAL	CG1	VAL- 255	3.48	0	Hydrophobic	false
CAL	CD1	LEU- 271	4.29	0	Hydrophobic	false
CAL	CG	MET- 274	4.11	0	Hydrophobic	false
CAU	CB	MET- 274	4.07	0	Hydrophobic	false
OAP	N	MET- 274	3.44	138.19	H-Bond (Protein Donor)	false
NAN	OD1	ASP- 278	3.01	161.89	H-Bond (Ligand Donor)	false
NAN	OD1	ASP- 278	3.01	0	Ionic (Ligand Cationic)	false
CAM	CD2	LEU- 324	4.12	0	Hydrophobic	false
CAH	CG	LEU- 324	4.07	0	Hydrophobic	false
CAD	CD1	LEU- 324	3.67	0	Hydrophobic	false
CAD	CB	ALA- 480	4.1	0	Hydrophobic	false
CAJ	CB	ALA- 482	3.96	0	Hydrophobic	false