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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:

4gts

2.450 Å

X-ray

2012-08-29

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Geranylgeranyl transferase type-2 subunit beta
ID:PGTB2_RAT
AC:Q08603
Organism:Rattus norvegicus
Reign:Eukaryota
TaxID:10116
EC Number:2.5.1.60


Chains:

Chain Name:Percentage of Residues
within binding site
A13 %
B87 %


Ligand binding site composition:

B-Factor:40.107
Number of residues:32
Including
Standard Amino Acids: 30
Non Standard Amino Acids: 1
Water Molecules: 1
Cofactors:
Metals: ZN

Cavity properties

LigandabilityVolume (Å3)
1.026536.625

% Hydrophobic% Polar
52.8347.17
According to VolSite

Ligand :
4gts_1 Structure
HET Code: 7TP
Formula: C33H32N4O6S
Molecular weight: 612.695 g/mol
DrugBank ID: -
Buried Surface Area:36.96 %
Polar Surface area: 126.49 Å2
Number of
H-Bond Acceptors: 7
H-Bond Donors: 1
Rings: 6
Aromatic rings: 5
Anionic atoms: 0
Cationic atoms: 0
Rule of Five Violation: 1
Rotatable Bonds: 9

Mass center Coordinates

XYZ
3.7654120.738527.7996


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
OAEOHTYR- 443.11133.64H-Bond
(Protein Donor)
CAQCD2LEU- 454.270Hydrophobic
CAXCD2LEU- 454.460Hydrophobic
CAVCD2LEU- 4540Hydrophobic
CAXCH2TRP- 524.140Hydrophobic
CAHCD2LEU- 964.440Hydrophobic
CAXCE2PHE- 2893.990Hydrophobic
CAZCZPHE- 2894.150Hydrophobic
CBHCBPHE- 2894.310Hydrophobic
NBAZN ZN- 4012.010Metal Acceptor
DuArZN ZN- 4013.1395.04Pi/Cation