scPDB - 2x7g entry

Protein Data Bank Entry:

PDB ID : 2x7g

Resolution :2.500 Å

Experimental Method : X-ray

Deposition Date : 2010-02-26

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	SRSF protein kinase 2
ID:	SRPK2_HUMAN
AC:	P78362
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.11.1

Chains:

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

Ligand binding site composition:

B-Factor:	25.119
Number of residues:	30
Including
Standard Amino Acids:	30
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.071	668.250

% Hydrophobic	% Polar
54.04	45.96
According to VolSite

Ligand :

HET Code:	PVB
Formula:	C20H24ClN6O3
Molecular weight:	431.896 g/mol
DrugBank ID:	DB02733
Buried Surface Area:	49.05 %
Polar Surface area:	128.01 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	3
Rings:	3
Aromatic rings:	3
Anionic atoms:	1
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
-25.1465	40.3098	-14.1471

Binding mode :

What is Poseview ?

2D View
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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
C14	CB	LEU- 98	4.49	0	Hydrophobic	false
C2A	CB	LEU- 98	3.8	0	Hydrophobic	false
C6A	CD2	LEU- 98	4.04	0	Hydrophobic	false
C16	CG2	VAL- 106	3.98	0	Hydrophobic	false
C14	CB	VAL- 106	4.35	0	Hydrophobic	false
C10	CG1	VAL- 106	4.44	0	Hydrophobic	false
C11	CG1	VAL- 157	4.36	0	Hydrophobic	false
C10	CD2	PHE- 177	3.72	0	Hydrophobic	false
N7	N	LEU- 180	2.95	167.38	H-Bond (Protein Donor)	false
N6	O	LEU- 180	3.03	142.42	H-Bond (Ligand Donor)	false
C11	CD1	LEU- 180	4.32	0	Hydrophobic	false
OX2	NE2	HIS- 182	2.61	137.06	H-Bond (Protein Donor)	false
C11	CD1	LEU- 232	3.68	0	Hydrophobic	false
CL1	CE2	TYR- 239	4.06	0	Hydrophobic	false
CL1	CE	MET- 243	3.7	0	Hydrophobic	false