scPDB - 1e90 entry

Protein Data Bank Entry:

PDB ID : 1e90

Resolution :2.700 Å

Experimental Method : X-ray

Deposition Date : 2000-10-03

Activity from ChEMBL: What is pChEMBL ?

	Min	Mean	Median	Standard Deviation	Max	Count
pChEMBL:

List of CHEMBLId :

Binding Site :

Uniprot Annotation

Name:	Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
ID:	PK3CG_PIG
AC:	O02697
Organism:	Sus scrofa
Reign:	Eukaryota
TaxID:	9823
EC Number:	2.7.1.153

Chains:

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

Ligand binding site composition:

B-Factor:	58.359
Number of residues:	28
Including
Standard Amino Acids:	28
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.607	678.375

% Hydrophobic	% Polar
49.75	50.25
According to VolSite

Ligand :

HET Code:	MYC
Formula:	C15H8O8
Molecular weight:	316.219 g/mol
DrugBank ID:	DB02375
Buried Surface Area:	64.97 %
Polar Surface area:	153.34 Å2

Number of
H-Bond Acceptors:	8
H-Bond Donors:	4
Rings:	3
Aromatic rings:	2
Anionic atoms:	2
Cationic atoms:	0
Rule of Five Violation:	0
Rotatable Bonds:	1

Mass center Coordinates

X	Y	Z
22.0507	61.5003	21.7804

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
C14	CD1	ILE- 831	3.9	0	Hydrophobic	false
C2	CD	LYS- 833	4.45	0	Hydrophobic	false
O13	NZ	LYS- 833	3.14	151.8	H-Bond (Protein Donor)	false
O30	NZ	LYS- 833	2.8	124.01	H-Bond (Protein Donor)	false
C1	CD2	LEU- 838	4.48	0	Hydrophobic	false
O29	OH	TYR- 867	2.9	142.34	H-Bond (Protein Donor)	false
C5	CG2	ILE- 879	3.55	0	Hydrophobic	false
C6	CD1	ILE- 879	3.85	0	Hydrophobic	false
C17	CD1	ILE- 881	4.12	0	Hydrophobic	false
C16	CB	VAL- 882	4.48	0	Hydrophobic	false
O24	O	VAL- 882	2.88	136.69	H-Bond (Ligand Donor)	false
O25	N	VAL- 882	2.71	161.36	H-Bond (Protein Donor)	false
C18	CE	MET- 953	3.51	0	Hydrophobic	false
C17	SD	MET- 953	3.69	0	Hydrophobic	false
C5	CB	ILE- 963	4.17	0	Hydrophobic	false
C15	CG2	ILE- 963	4.29	0	Hydrophobic	false
C2	CB	ASP- 964	4.45	0	Hydrophobic	false