scPDB - 4gto entry

Protein Data Bank Entry:

PDB ID : 4gto

Resolution :2.150 Å

Experimental Method : X-ray

Deposition Date : 2012-08-29

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	10 %
B	90 %

Ligand binding site composition:

B-Factor:	30.382
Number of residues:	40
Including
Standard Amino Acids:	37
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.863	1407.375

% Hydrophobic	% Polar
36.93	63.07
According to VolSite

Ligand :

HET Code:	7TO
Formula:	C30H28F3N5O6S2
Molecular weight:	675.698 g/mol
DrugBank ID:	-
Buried Surface Area:	44.44 %
Polar Surface area:	151.58 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	0
Rings:	5
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	3
Rotatable Bonds:	10

Mass center Coordinates

X	Y	Z
-17.2146	72.3677	3.80178

Binding mode :

What is Poseview ?

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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
CAA	SG	CYS- 95	4.4	0	Hydrophobic	false
FAI	CZ2	TRP- 102	4.14	0	Hydrophobic	false
FAH	CH2	TRP- 102	3.23	0	Hydrophobic	false
FAH	CD2	TYR- 154	3.55	0	Hydrophobic	false
OAE	NE	ARG- 202	3.14	155.29	H-Bond (Protein Donor)	false
FAJ	CB	ARG- 202	3.68	0	Hydrophobic	false
FAI	CD	ARG- 202	3.46	0	Hydrophobic	false
FAJ	CD2	TYR- 205	3.42	0	Hydrophobic	false
FAJ	SG	CYS- 206	3.37	0	Hydrophobic	false
FAJ	SG	CYS- 254	3.58	0	Hydrophobic	false
CAZ	CD1	TYR- 361	3.99	0	Hydrophobic	false
CBB	CZ	TYR- 361	4.1	0	Hydrophobic	false
CBF	CB	TYR- 361	3.41	0	Hydrophobic	false
NBC	ZN	ZN- 501	1.9	0	Metal Acceptor	false
DuAr	ZN	ZN- 501	3.02	88.38	Pi/Cation	false
OBE	O	HOH- 601	2.67	160.65	H-Bond (Protein Donor)	false