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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:

2e8t

2.130 Å

X-ray

2007-01-23

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Geranylgeranyl pyrophosphate synthase
ID:GGPPS_YEAST
AC:Q12051
Organism:Saccharomyces cerevisiae
Reign:Eukaryota
TaxID:559292
EC Number:/


Chains:

Chain Name:Percentage of Residues
within binding site
B100 %


Ligand binding site composition:

B-Factor:41.084
Number of residues:17
Including
Standard Amino Acids: 16
Non Standard Amino Acids: 1
Water Molecules: 0
Cofactors:
Metals: MG

Cavity properties

LigandabilityVolume (Å3)
0.035455.625

% Hydrophobic% Polar
42.9657.04
According to VolSite

Ligand :
2e8t_2 Structure
HET Code: IPE
Formula: C5H9O7P2
Molecular weight: 243.068 g/mol
DrugBank ID: DB04714
Buried Surface Area:46.69 %
Polar Surface area: 141.4 Å2
Number of
H-Bond Acceptors: 7
H-Bond Donors: 0
Rings: 0
Aromatic rings: 0
Anionic atoms: 3
Cationic atoms: 0
Rule of Five Violation: 0
Rotatable Bonds: 6

Mass center Coordinates

XYZ
20.475127.595534.1516


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
O1BNZLYS- 383.15153.14H-Bond
(Protein Donor)
O1BNZLYS- 383.150Ionic
(Protein Cationic)
O3BNZLYS- 383.510Ionic
(Protein Cationic)
O1BNE2HIS- 733.09154.47H-Bond
(Protein Donor)
C4CD2LEU- 773.780Hydrophobic
O1ACZARG- 903.140Ionic
(Protein Cationic)
O1BCZARG- 903.340Ionic
(Protein Cationic)
O2BCZARG- 903.260Ionic
(Protein Cationic)
O2AOHTYR- 2103.12150.63H-Bond
(Protein Donor)
C2CE2TYR- 2103.510Hydrophobic