scPDB - 2izu entry

Protein Data Bank Entry:

PDB ID : 2izu

Resolution :1.850 Å

Experimental Method : X-ray

Deposition Date : 2006-07-26

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Casein kinase I isoform gamma-3
ID:	KC1G3_HUMAN
AC:	Q9Y6M4
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.1

Chains:

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

Ligand binding site composition:

B-Factor:	15.164
Number of residues:	36
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.030	570.375

% Hydrophobic	% Polar
46.75	53.25
According to VolSite

Ligand :

HET Code:	P01
Formula:	C19H25ClN6O
Molecular weight:	388.894 g/mol
DrugBank ID:	DB04751
Buried Surface Area:	60.59 %
Polar Surface area:	87.89 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	3
Rings:	3
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	7

Mass center Coordinates

X	Y	Z
-32.8274	23.1061	-25.9593

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
C3A	CB	ILE- 49	4.28	0	Hydrophobic	false
C2A	CD1	ILE- 49	3.74	0	Hydrophobic	false
C2A	CD2	LEU- 57	4.32	0	Hydrophobic	false
C12	CD1	LEU- 57	3.88	0	Hydrophobic	false
C26	CD2	LEU- 57	3.91	0	Hydrophobic	false
C12	CB	ALA- 70	4.16	0	Hydrophobic	false
C11	CB	PRO- 100	3.87	0	Hydrophobic	false
C11	CD2	LEU- 116	3.87	0	Hydrophobic	false
C12	CD1	LEU- 116	3.78	0	Hydrophobic	false
N6	O	LEU- 119	3.06	141.11	H-Bond (Ligand Donor)	false
N7	N	LEU- 119	3	154.17	H-Bond (Protein Donor)	false
C11	CD1	LEU- 119	4.1	0	Hydrophobic	false
CL1	CB	PRO- 121	4.27	0	Hydrophobic	false
C23	CB	SER- 122	4.17	0	Hydrophobic	false
O24	O	GLU- 166	2.64	169.9	H-Bond (Ligand Donor)	false
C23	CD1	LEU- 169	4.3	0	Hydrophobic	false
C11	CG2	ILE- 184	3.77	0	Hydrophobic	false
CL1	CB	PRO- 331	3.87	0	Hydrophobic	false
C6A	CB	PRO- 333	3.78	0	Hydrophobic	false