Logo scPDB

sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

Logo CNRS Logo Unistra
Protein Data Bank Entry:

3qar

2.650 Å

X-ray

2011-01-11

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit gamma isoform
ID:PK3CG_HUMAN
AC:P48736
Organism:Homo sapiens
Reign:Eukaryota
TaxID:9606
EC Number:2.7.1.153


Chains:

Chain Name:Percentage of Residues
within binding site
A100 %


Ligand binding site composition:

B-Factor:60.500
Number of residues:32
Including
Standard Amino Acids: 31
Non Standard Amino Acids: 0
Water Molecules: 1
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
0.581857.250

% Hydrophobic% Polar
45.2854.72
According to VolSite

Ligand :
3qar_1 Structure
HET Code: QAR
Formula: C14H13N9
Molecular weight: 307.313 g/mol
DrugBank ID: -
Buried Surface Area:66.49 %
Polar Surface area: 123.22 Å2
Number of
H-Bond Acceptors: 7
H-Bond Donors: 3
Rings: 4
Aromatic rings: 4
Anionic atoms: 0
Cationic atoms: 0
Rule of Five Violation: 0
Rotatable Bonds: 3

Mass center Coordinates

XYZ
22.342514.255722.0406


Binding mode :
What is Poseview ?
  • 2D View
  • 3D View
Binding mode
BioSolveIT 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
BioSolveIT


LigandProteinInteraction
AtomAtomResidueDistance
(Å)
Angle (°)Type
C4CD1ILE- 8314.150Hydrophobic
N8OD2ASP- 8363.27157.16H-Bond
(Ligand Donor)
C11CGTYR- 8673.330Hydrophobic
C11CG2ILE- 8794.040Hydrophobic
N1NVAL- 8823.14160.99H-Bond
(Protein Donor)
C11CG2VAL- 8824.10Hydrophobic
N7OVAL- 8822.92152.5H-Bond
(Ligand Donor)
C8CG2THR- 8874.180Hydrophobic
C4SDMET- 9534.040Hydrophobic
C7CEMET- 9533.540Hydrophobic
C11CE1PHE- 9613.90Hydrophobic
C4CD1ILE- 9633.950Hydrophobic
C11CG2ILE- 9634.010Hydrophobic
N8OD2ASP- 9643.34120.97H-Bond
(Ligand Donor)