scPDB - 4fz7 entry

Protein Data Bank Entry:

PDB ID : 4fz7

Resolution :1.750 Å

Experimental Method : X-ray

Deposition Date : 2012-07-06

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Tyrosine-protein kinase SYK
ID:	KSYK_HUMAN
AC:	P43405
Organism:	Homo sapiens
Reign:	Eukaryota
TaxID:	9606
EC Number:	2.7.10.2

Chains:

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

Ligand binding site composition:

B-Factor:	24.811
Number of residues:	29
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	1
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.576	438.750

% Hydrophobic	% Polar
56.15	43.85
According to VolSite

Ligand :

HET Code:	0VH
Formula:	C18H26N7O
Molecular weight:	356.445 g/mol
DrugBank ID:	-
Buried Surface Area:	69.91 %
Polar Surface area:	133.46 Å2

Number of
H-Bond Acceptors:	6
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	1
Rule of Five Violation:	0
Rotatable Bonds:	6

Mass center Coordinates

X	Y	Z
1.71215	1.31181	13.5331

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
C3	CB	LEU- 377	4.28	0	Hydrophobic	false
C26	CB	LEU- 377	4.3	0	Hydrophobic	false
C2	CD1	LEU- 377	3.95	0	Hydrophobic	false
C24	CE1	PHE- 382	3.98	0	Hydrophobic	false
C26	CB	VAL- 385	4.08	0	Hydrophobic	false
C10	CG1	VAL- 385	4.14	0	Hydrophobic	false
C24	CG2	VAL- 385	4.01	0	Hydrophobic	false
C9	CB	ALA- 400	4.29	0	Hydrophobic	false
N17	O	GLU- 449	2.91	165.01	H-Bond (Ligand Donor)	false
C1	SD	MET- 450	3.87	0	Hydrophobic	false
O16	N	ALA- 451	2.85	177.62	H-Bond (Protein Donor)	false
C8	CG	PRO- 455	4.02	0	Hydrophobic	false
C21	CG	PRO- 455	3.74	0	Hydrophobic	false
N25	O	ARG- 498	2.83	168.6	H-Bond (Ligand Donor)	false
C1	CD1	LEU- 501	4.39	0	Hydrophobic	false
C9	CD1	LEU- 501	3.5	0	Hydrophobic	false
N18	OD1	ASP- 512	2.83	154.05	H-Bond (Ligand Donor)	false
N25	OD1	ASP- 512	3.26	123.6	H-Bond (Ligand Donor)	false
N25	OD2	ASP- 512	2.7	162.94	H-Bond (Ligand Donor)	false
N25	OD1	ASP- 512	3.26	0	Ionic (Ligand Cationic)	false
N25	OD2	ASP- 512	2.7	0	Ionic (Ligand Cationic)	false