scPDB - 2r2l entry

Protein Data Bank Entry:

PDB ID : 2r2l

Resolution :2.230 Å

Experimental Method : X-ray

Deposition Date : 2007-08-27

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	14 %
B	86 %

Ligand binding site composition:

B-Factor:	32.587
Number of residues:	37
Including
Standard Amino Acids:	34
Non Standard Amino Acids:	1
Water Molecules:	2
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.711	779.625

% Hydrophobic	% Polar
46.75	53.25
According to VolSite

Ligand :

HET Code:	PB9
Formula:	C28H33N7O4S
Molecular weight:	563.671 g/mol
DrugBank ID:	-
Buried Surface Area:	55.63 %
Polar Surface area:	133.04 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	0
Rings:	5
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
187.112	127.855	32.6947

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
N65	ZN	ZN- 1	2.13	0	Metal Acceptor	false
DuAr	ZN	ZN- 1	3.29	77.82	Pi/Cation	false
C6	CD1	LEU- 96	3.91	0	Hydrophobic	false
C13	CH2	TRP- 106	4.11	0	Hydrophobic	false
C5	CH2	TRP- 106	3.47	0	Hydrophobic	false
C56	CE2	TYR- 131	3.61	0	Hydrophobic	false
C56	CB	HIS- 149	4.33	0	Hydrophobic	false
C56	CB	ALA- 151	4.18	0	Hydrophobic	false
C56	CG	PRO- 152	4.38	0	Hydrophobic	false
C1	CB	ASP- 359	4.09	0	Hydrophobic	false
C13	CD1	TYR- 361	3.71	0	Hydrophobic	false
C5	CB	TYR- 361	3.22	0	Hydrophobic	false
N19	N	TYR- 361	3.43	146.68	H-Bond (Protein Donor)	false