scPDB - 2f0y entry

Protein Data Bank Entry:

PDB ID : 2f0y

Resolution :2.700 Å

Experimental Method : X-ray

Deposition Date : 2005-11-14

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_HUMAN
AC:	P49356
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.5.1.58

Chains:

Chain Name:	Percentage of Residues within binding site
A	11 %
B	89 %

Ligand binding site composition:

B-Factor:	54.500
Number of residues:	28
Including
Standard Amino Acids:	26
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.866	658.125

% Hydrophobic	% Polar
50.26	49.74
According to VolSite

Ligand :

HET Code:	3MN
Formula:	C28H25N5O2
Molecular weight:	463.530 g/mol
DrugBank ID:	-
Buried Surface Area:	55.53 %
Polar Surface area:	82.22 Å2

Number of
H-Bond Acceptors:	4
H-Bond Donors:	0
Rings:	5
Aromatic rings:	4
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	7

Mass center Coordinates

X	Y	Z
70.6036	20.1803	-0.628257

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
C28	CD2	LEU- 96	4.31	0	Hydrophobic	false
C15	CD1	LEU- 96	3.69	0	Hydrophobic	false
C26	CD2	LEU- 96	3.97	0	Hydrophobic	false
C20	CB	SER- 99	4.05	0	Hydrophobic	false
C27	CZ2	TRP- 102	3.31	0	Hydrophobic	false
C23	CB	ASP- 359	3.65	0	Hydrophobic	false
C12	CB	TYR- 361	3.27	0	Hydrophobic	false
N5	ZN	ZN- 501	2.26	0	Metal Acceptor	false
DuAr	ZN	ZN- 501	3.44	96.06	Pi/Cation	false