scPDB - 2kaw entry

Protein Data Bank Entry:

PDB ID : 2kaw

Resolution : Å

Experimental Method : NMR

Deposition Date : 2008-11-17

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Segment polarity protein dishevelled homolog DVL-1
ID:	DVL1_MOUSE
AC:	P51141
Organism:	Mus musculus
Reign:	Eukaryota
TaxID:	10090
EC Number:	/

Chains:

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

Ligand binding site composition:

B-Factor:	0.000
Number of residues:	22
Including
Standard Amino Acids:	22
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.483	236.250

% Hydrophobic	% Polar
62.86	37.14
According to VolSite

Ligand :

HET Code:	SUZ
Formula:	C20H16FO3S
Molecular weight:	355.403 g/mol
DrugBank ID:	-
Buried Surface Area:	49.54 %
Polar Surface area:	76.41 Å2

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

Mass center Coordinates

X	Y	Z
-0.28704	-3.89808	-7.5146

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
C11	CB	LEU- 15	3.85	0	Hydrophobic	false
O2	N	LEU- 15	2.85	152.94	H-Bond (Protein Donor)	false
O3	N	GLY- 16	2.84	138.07	H-Bond (Protein Donor)	false
C11	CG1	ILE- 17	4.11	0	Hydrophobic	false
O3	N	ILE- 17	3.48	146.59	H-Bond (Protein Donor)	false
C6	CB	SER- 18	3.68	0	Hydrophobic	false
C19	CB	ILE- 19	3.96	0	Hydrophobic	false
C20	CG1	VAL- 71	4.41	0	Hydrophobic	false
C1	CG1	VAL- 71	3.82	0	Hydrophobic	false
F	CG	LEU- 74	3.45	0	Hydrophobic	false
F	CB	ARG- 75	3.72	0	Hydrophobic	false
O1	NH1	ARG- 75	2.8	129.56	H-Bond (Protein Donor)	false
F	CG2	VAL- 78	3.63	0	Hydrophobic	false