scPDB - 3ksq entry

Protein Data Bank Entry:

PDB ID : 3ksq

Resolution :2.100 Å

Experimental Method : X-ray

Deposition Date : 2009-11-23

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Protein farnesyltransferase subunit beta
ID:	FNTB_RAT
AC:	Q02293
Organism:	Rattus norvegicus
Reign:	Eukaryota
TaxID:	10116
EC Number:	2.5.1.58

Chains:

Chain Name:	Percentage of Residues within binding site
A	19 %
B	81 %

Ligand binding site composition:

B-Factor:	35.641
Number of residues:	30
Including
Standard Amino Acids:	29
Non Standard Amino Acids:	1
Water Molecules:	0
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.586	901.125

% Hydrophobic	% Polar
41.20	58.80
According to VolSite

Ligand :

HET Code:	Z96
Formula:	C28H33ClN5O3
Molecular weight:	523.046 g/mol
DrugBank ID:	-
Buried Surface Area:	50.21 %
Polar Surface area:	84.92 Å2

Number of
H-Bond Acceptors:	5
H-Bond Donors:	2
Rings:	5
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
187.365	129.559	33.5458

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
C22	CZ	TYR- 93	4.33	0	Hydrophobic	false
C26	CE2	TYR- 93	3.71	0	Hydrophobic	false
C26	SG	CYS- 95	3.62	0	Hydrophobic	false
C24	SG	CYS- 95	3.96	0	Hydrophobic	false
C26	CD1	LEU- 96	3.82	0	Hydrophobic	false
CL	CB	LYS- 164	4.32	0	Hydrophobic	false
CL	CD1	TYR- 166	4	0	Hydrophobic	false
C22	CB	ASP- 359	3.67	0	Hydrophobic	false
C4	CE1	TYR- 361	3.28	0	Hydrophobic	false
N3	ZN	ZN- 2001	2.14	0	Metal Acceptor	false
DuAr	ZN	ZN- 2001	3.25	82.35	Pi/Cation	false