scPDB - 1e8x entry

Protein Data Bank Entry:

PDB ID : 1e8x

Resolution :2.200 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:	49.080
Number of residues:	31
Including
Standard Amino Acids:	31
Non Standard Amino Acids:	0
Water Molecules:	0
Cofactors:
Metals:

Cavity properties

Ligandability	Volume (Å3)
0.839	550.125

% Hydrophobic	% Polar
55.21	44.79
According to VolSite

Ligand :

HET Code:	ATP
Formula:	C10H12N5O13P3
Molecular weight:	503.149 g/mol
DrugBank ID:	DB00171
Buried Surface Area:	57.02 %
Polar Surface area:	319.88 Å2

Number of
H-Bond Acceptors:	17
H-Bond Donors:	3
Rings:	3
Aromatic rings:	2
Anionic atoms:	4
Cationic atoms:	0
Rule of Five Violation:	2
Rotatable Bonds:	8

Mass center Coordinates

X	Y	Z
23.1884	64.457	20.4502

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
C4'	SD	MET- 804	4.38	0	Hydrophobic	false
C1'	SD	MET- 804	4.24	0	Hydrophobic	false
O3A	OG	SER- 806	2.99	151.52	H-Bond (Protein Donor)	false
C1'	CD1	ILE- 831	3.93	0	Hydrophobic	false
O1B	NZ	LYS- 833	3.79	0	Ionic (Protein Cationic)	false
O1A	NZ	LYS- 833	3.33	0	Ionic (Protein Cationic)	false
O2A	NZ	LYS- 833	3.47	0	Ionic (Protein Cationic)	false
O2A	NZ	LYS- 833	3.47	163.04	H-Bond (Protein Donor)	false
N1	N	VAL- 882	2.96	157.02	H-Bond (Protein Donor)	false
O3G	ND2	ASN- 951	3.15	127.88	H-Bond (Protein Donor)	false
C2'	CE	MET- 953	3.95	0	Hydrophobic	false
C5'	CD1	ILE- 963	4.21	0	Hydrophobic	false
C2'	CD1	ILE- 963	4.23	0	Hydrophobic	false