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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:

2a4z

2.900 Å

X-ray

2005-06-30

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:44.702
Number of residues:28
Including
Standard Amino Acids: 28
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
1.064648.000

% Hydrophobic% Polar
58.3341.67
According to VolSite

Ligand :
2a4z_1 Structure
HET Code: BYM
Formula: C11H4F2NO4S
Molecular weight: 284.216 g/mol
DrugBank ID: DB07503
Buried Surface Area:67.83 %
Polar Surface area: 92 Å2
Number of
H-Bond Acceptors: 5
H-Bond Donors: 0
Rings: 3
Aromatic rings: 1
Anionic atoms: 1
Cationic atoms: 0
Rule of Five Violation: 0
Rotatable Bonds: 1

Mass center Coordinates

XYZ
43.908114.220331.0954


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
F17CZ3TRP- 8123.540Hydrophobic
F17CD1ILE- 8313.820Hydrophobic
C8CD1ILE- 8314.260Hydrophobic
O7NZLYS- 8333.46126.47H-Bond
(Protein Donor)
C13CBTYR- 8674.260Hydrophobic
C16CG2ILE- 8793.580Hydrophobic
F17CG2ILE- 8813.760Hydrophobic
O12NVAL- 8823.08156.88H-Bond
(Protein Donor)
C13CG2VAL- 8824.090Hydrophobic
F19CBVAL- 8824.080Hydrophobic
F19CBALA- 8853.360Hydrophobic
F19CEMET- 9533.610Hydrophobic
C8SDMET- 9533.470Hydrophobic
F19CZPHE- 9614.40Hydrophobic
C11CD1ILE- 9633.820Hydrophobic
S4CD1ILE- 9634.340Hydrophobic
C15CG2ILE- 9633.750Hydrophobic