scPDB - 4fz6 entry

Protein Data Bank Entry:

PDB ID : 4fz6

Resolution :1.850 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:	31.351
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.631	594.000

% Hydrophobic	% Polar
61.36	38.64
According to VolSite

Ligand :

HET Code:	0VG
Formula:	C22H22N6
Molecular weight:	370.450 g/mol
DrugBank ID:	-
Buried Surface Area:	49.63 %
Polar Surface area:	58.35 Å2

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

Mass center Coordinates

X	Y	Z
1.06061	0.103571	13.5871

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
C19	CD1	LEU- 377	4.43	0	Hydrophobic	false
C25	CB	LEU- 377	4.07	0	Hydrophobic	false
C18	CD2	LEU- 377	4.15	0	Hydrophobic	false
C15	CG1	VAL- 385	3.87	0	Hydrophobic	false
C25	CB	VAL- 385	4.01	0	Hydrophobic	false
C28	CG2	VAL- 385	3.4	0	Hydrophobic	false
C23	CE	MET- 448	4.45	0	Hydrophobic	false
C19	SD	MET- 450	3.85	0	Hydrophobic	false
N10	N	ALA- 451	3	162.34	H-Bond (Protein Donor)	false
N11	O	ALA- 451	3.32	138.8	H-Bond (Ligand Donor)	false
C22	CG	PRO- 455	4.06	0	Hydrophobic	false