scPDB - 3e34 entry

Protein Data Bank Entry:

PDB ID : 3e34

Resolution :2.050 Å

Experimental Method : X-ray

Deposition Date : 2008-08-06

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Protein farnesyltransferase/geranylgeranyltransferase type-1 subunit alpha	Protein farnesyltransferase subunit beta
ID:	FNTA_RAT	FNTB_RAT
AC:	Q04631	Q02293
Organism:	Rattus norvegicus
Reign:	Eukaryota
TaxID:	10116
EC Number:	/	2.5.1.58

Chains:

Chain Name:	Percentage of Residues within binding site
A	26 %
B	74 %

Ligand binding site composition:

B-Factor:	18.080
Number of residues:	38
Including
Standard Amino Acids:	33
Non Standard Amino Acids:	1
Water Molecules:	4
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.923	752.625

% Hydrophobic	% Polar
44.39	55.61
According to VolSite

Ligand :

HET Code:	ED1
Formula:	C40H47N6O6S
Molecular weight:	739.903 g/mol
DrugBank ID:	-
Buried Surface Area:	52.8 %
Polar Surface area:	160.27 Å2

Number of
H-Bond Acceptors:	9
H-Bond Donors:	0
Rings:	5
Aromatic rings:	4
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	16

Mass center Coordinates

X	Y	Z
101.497	19.6657	32.7334

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
CBN	CD1	LEU- 96	4.16	0	Hydrophobic	false
CAP	CB	ALA- 151	4.05	0	Hydrophobic	false
CAO	CB	ALA- 151	3.5	0	Hydrophobic	false
CBZ	CB	LYS- 164	4.14	0	Hydrophobic	false
CAZ	CD1	TYR- 166	3.96	0	Hydrophobic	false
OAF	NH1	ARG- 202	3.18	169.15	H-Bond (Protein Donor)	false
CAR	CB	ASP- 359	4.2	0	Hydrophobic	false
NAE	N	TYR- 361	3.35	142.08	H-Bond (Protein Donor)	false
CBG	CZ	TYR- 361	4.47	0	Hydrophobic	false
CAM	CE1	TYR- 361	2.96	0	Hydrophobic	false
CBN	CB	TYR- 361	3.23	0	Hydrophobic	false
NBJ	ZN	ZN- 1001	2.19	0	Metal Acceptor	false
DuAr	ZN	ZN- 1001	3.3	98.82	Pi/Cation	false
OAI	O	HOH- 1550	2.63	162.91	H-Bond (Protein Donor)	false