scPDB - 2v74 entry

Protein Data Bank Entry:

PDB ID : 2v74

Resolution :2.700 Å

Experimental Method : X-ray

Deposition Date : 2007-07-26

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Histone-arginine methyltransferase CARM1
ID:	CARM1_MOUSE
AC:	Q9WVG6
Organism:	Mus musculus
Reign:	Eukaryota
TaxID:	10090
EC Number:	/

Chains:

Chain Name:	Percentage of Residues within binding site
B	100 %

Ligand binding site composition:

B-Factor:	47.235
Number of residues:	37
Including
Standard Amino Acids:	35
Non Standard Amino Acids:	0
Water Molecules:	2
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.572	273.375

% Hydrophobic	% Polar
53.09	46.91
According to VolSite

Ligand :

HET Code:	SAH
Formula:	C14H20N6O5S
Molecular weight:	384.411 g/mol
DrugBank ID:	DB01752
Buried Surface Area:	77.68 %
Polar Surface area:	212.38 Å2

Number of
H-Bond Acceptors:	10
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	1
Cationic atoms:	1
Rule of Five Violation:	1
Rotatable Bonds:	7

Mass center Coordinates

X	Y	Z
-13.6867	21.9616	-90.557

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
C2'	CE2	TYR- 150	4.34	0	Hydrophobic	false
C2'	CE2	PHE- 151	4.36	0	Hydrophobic	false
SD	CE1	TYR- 154	3.77	0	Hydrophobic	false
C2'	CB	TYR- 154	3.79	0	Hydrophobic	false
C3'	CD1	TYR- 154	3.48	0	Hydrophobic	false
O3'	NE2	GLN- 160	2.95	137.12	H-Bond (Protein Donor)	false
SD	SD	MET- 163	3.69	0	Hydrophobic	false
CB	CE	MET- 163	4.09	0	Hydrophobic	false
O	NH2	ARG- 169	2.97	140.57	H-Bond (Protein Donor)	false
O	NH1	ARG- 169	2.95	141.23	H-Bond (Protein Donor)	false
OXT	NH1	ARG- 169	2.84	143.88	H-Bond (Protein Donor)	false
O	CZ	ARG- 169	3.38	0	Ionic (Protein Cationic)	false
OXT	CZ	ARG- 169	3.61	0	Ionic (Protein Cationic)	false
N	O	GLY- 193	3.21	163.36	H-Bond (Ligand Donor)	false
O3'	OE2	GLU- 215	3.11	128.99	H-Bond (Ligand Donor)	false
O3'	OE1	GLU- 215	2.94	165.4	H-Bond (Ligand Donor)	false
O2'	OE2	GLU- 215	2.79	167.8	H-Bond (Ligand Donor)	false
N1	N	VAL- 243	3.27	155.92	H-Bond (Protein Donor)	false
N6	OE2	GLU- 244	2.92	138.96	H-Bond (Ligand Donor)	false
CG	CB	GLU- 258	4.28	0	Hydrophobic	false
C5'	SD	MET- 269	3.83	0	Hydrophobic	false
N	O	HOH- 2005	3.07	155.18	H-Bond (Ligand Donor)	false
O	O	HOH- 2006	2.65	179.96	H-Bond (Protein Donor)	false