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sc-PDB

An Annotated Database of Druggable Binding Sites from the Protein DataBank

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Protein Data Bank Entry:

2chx

2.500 Å

X-ray

2006-03-16

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:43.452
Number of residues:31
Including
Standard Amino Acids: 31
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
0.911911.250

% Hydrophobic% Polar
48.5251.48
According to VolSite

Ligand :
2chx_1 Structure
HET Code: 090
Formula: C18H16N5O3
Molecular weight: 350.351 g/mol
DrugBank ID: -
Buried Surface Area:61.18 %
Polar Surface area: 93.23 Å2
Number of
H-Bond Acceptors: 5
H-Bond Donors: 2
Rings: 4
Aromatic rings: 4
Anionic atoms: 0
Cationic atoms: 1
Rule of Five Violation: 0
Rotatable Bonds: 4

Mass center Coordinates

XYZ
45.716812.585731.2556


Binding mode :
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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
CAYCH2TRP- 8123.730Hydrophobic
CAHCGTYR- 8673.610Hydrophobic
CAHCG2ILE- 8794.220Hydrophobic
CAWCD1ILE- 8794.090Hydrophobic
CADCG2ILE- 8814.070Hydrophobic
NAANVAL- 8822.87172.57H-Bond
(Protein Donor)
CADCBALA- 8854.090Hydrophobic
CAZCEMET- 9533.90Hydrophobic
CAESDMET- 9533.560Hydrophobic
CAICEMET- 9533.540Hydrophobic
CACCEMET- 9533.590Hydrophobic
CAHCE1PHE- 9614.270Hydrophobic
CAPCD1ILE- 9634.030Hydrophobic
CAZCD1ILE- 9634.490Hydrophobic
CAHCG2ILE- 96340Hydrophobic
CAWCBASP- 9643.930Hydrophobic