scPDB - 2euf entry

Protein Data Bank Entry:

PDB ID : 2euf

Resolution :3.000 Å

Experimental Method : X-ray

Deposition Date : 2005-10-28

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Cyclin-dependent kinase 6
ID:	CDK6_HUMAN
AC:	Q00534
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.22

Chains:

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

Ligand binding site composition:

B-Factor:	52.984
Number of residues:	32
Including
Standard Amino Acids:	32
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.905	465.750

% Hydrophobic	% Polar
48.55	51.45
According to VolSite

Ligand :

HET Code:	LQQ
Formula:	C24H30N7O2
Molecular weight:	448.541 g/mol
DrugBank ID:	DB09073
Buried Surface Area:	61.37 %
Polar Surface area:	107.93 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	2
Rings:	5
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
30.3	21.9716	60.2735

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
C18	CG2	ILE- 19	4.1	0	Hydrophobic	false
C21	CG2	ILE- 19	4.17	0	Hydrophobic	false
C20	CB	ILE- 19	4.02	0	Hydrophobic	false
C14	CB	VAL- 27	3.97	0	Hydrophobic	false
C05	CB	ALA- 41	4.14	0	Hydrophobic	false
C01	CD	LYS- 43	3.83	0	Hydrophobic	false
C05	CB	VAL- 77	4.21	0	Hydrophobic	false
C01	CE1	PHE- 98	3.29	0	Hydrophobic	false
C05	CB	PHE- 98	3.46	0	Hydrophobic	false
N01	N	VAL- 101	3.21	145.33	H-Bond (Protein Donor)	false
N04	O	VAL- 101	2.72	172.89	H-Bond (Ligand Donor)	false
C19	CB	ASP- 104	4	0	Hydrophobic	false
C24	CB	THR- 107	4.48	0	Hydrophobic	false
C05	CD1	LEU- 152	4.47	0	Hydrophobic	false
C06	CD1	LEU- 152	3.27	0	Hydrophobic	false
C20	CD2	LEU- 152	4.37	0	Hydrophobic	false
C06	CB	ALA- 162	4.46	0	Hydrophobic	false
O01	N	ASP- 163	2.71	146.13	H-Bond (Protein Donor)	false