scPDB - 1s63 entry

Protein Data Bank Entry:

PDB ID : 1s63

Resolution :1.900 Å

Experimental Method : X-ray

Deposition Date : 2004-01-22

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	14 %
B	86 %

Ligand binding site composition:

B-Factor:	12.249
Number of residues:	22
Including
Standard Amino Acids:	20
Non Standard Amino Acids:	1
Water Molecules:	1
Cofactors:
Metals:	ZN

Cavity properties

Ligandability	Volume (Å3)
0.768	1090.125

% Hydrophobic	% Polar
39.32	60.68
According to VolSite

Ligand :

HET Code:	778
Formula:	C22H21ClN5O
Molecular weight:	406.888 g/mol
DrugBank ID:	DB07227
Buried Surface Area:	57.21 %
Polar Surface area:	66.36 Å2

Number of
H-Bond Acceptors:	3
H-Bond Donors:	1
Rings:	4
Aromatic rings:	3
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	5

Mass center Coordinates

X	Y	Z
17.702	133.73	-1.46128

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
C21	CD2	LEU- 96	4.28	0	Hydrophobic	false
C27	CB	SER- 99	4.38	0	Hydrophobic	false
CL31	CH2	TRP- 102	3.58	0	Hydrophobic	false
CL31	CZ2	TRP- 106	3.98	0	Hydrophobic	false
N36	NH1	ARG- 202	3.43	131.27	H-Bond (Protein Donor)	false
CL31	CE1	TYR- 361	4.21	0	Hydrophobic	false
N18	ZN	ZN- 1001	2.01	0	Metal Acceptor	false
DuAr	ZN	ZN- 1001	3.17	83.02	Pi/Cation	false