scPDB - 4feq entry

Protein Data Bank Entry:

PDB ID : 4feq

Resolution :2.200 Å

Experimental Method : X-ray

Deposition Date : 2012-05-30

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 receptor TYRO3
ID:	TYRO3_MOUSE
AC:	P55144
Organism:	Mus musculus
Reign:	Eukaryota
TaxID:	10090
EC Number:	2.7.10.1

Chains:

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

Ligand binding site composition:

B-Factor:	55.292
Number of residues:	27
Including
Standard Amino Acids:	27
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
1.359	526.500

% Hydrophobic	% Polar
62.18	37.82
According to VolSite

Ligand :

HET Code:	0T8
Formula:	C24H33N7O2
Molecular weight:	451.565 g/mol
DrugBank ID:	-
Buried Surface Area:	47.64 %
Polar Surface area:	112.13 Å2

Number of
H-Bond Acceptors:	7
H-Bond Donors:	3
Rings:	4
Aromatic rings:	2
Anionic atoms:	0
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	11

Mass center Coordinates

X	Y	Z
8.45091	-12.0872	16.681

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
C7	CB	LEU- 514	4.11	0	Hydrophobic	false
C2	CD1	LEU- 514	3.88	0	Hydrophobic	false
C6	CG1	VAL- 522	4.15	0	Hydrophobic	false
C7	CB	VAL- 522	3.81	0	Hydrophobic	false
C14	CG1	VAL- 522	4.32	0	Hydrophobic	false
C14	CB	ALA- 538	3.97	0	Hydrophobic	false
C10	CD2	LEU- 593	4.17	0	Hydrophobic	false
C14	CB	LEU- 593	3.81	0	Hydrophobic	false
C18	CD2	LEU- 593	3.52	0	Hydrophobic	false
N5	O	PRO- 594	3.11	142.65	H-Bond (Ligand Donor)	false
N3	N	MET- 596	3.06	160.18	H-Bond (Protein Donor)	false
N4	O	MET- 596	3.31	144.74	H-Bond (Ligand Donor)	false
C12	CB	ASP- 600	4.15	0	Hydrophobic	false
C8	SD	MET- 652	3.93	0	Hydrophobic	false
C10	CE	MET- 652	3.73	0	Hydrophobic	false
C2	CE	MET- 652	4.03	0	Hydrophobic	false