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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:

1z1f

2.900 Å

X-ray

2005-03-03

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Resveratrol synthase
ID:Q9SLV5_ARAHY
AC:Q9SLV5
Organism:Arachis hypogaea
Reign:Eukaryota
TaxID:3818
EC Number:/


Chains:

Chain Name:Percentage of Residues
within binding site
A100 %


Ligand binding site composition:

B-Factor:16.878
Number of residues:31
Including
Standard Amino Acids: 31
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
1.447972.000

% Hydrophobic% Polar
62.5037.50
According to VolSite

Ligand :
1z1f_1 Structure
HET Code: STL
Formula: C14H12O3
Molecular weight: 228.243 g/mol
DrugBank ID: DB02709
Buried Surface Area:77.46 %
Polar Surface area: 60.69 Å2
Number of
H-Bond Acceptors: 3
H-Bond Donors: 3
Rings: 2
Aromatic rings: 2
Anionic atoms: 0
Cationic atoms: 0
Rule of Five Violation: 0
Rotatable Bonds: 2

Mass center Coordinates

XYZ
17.491833.792413.1194


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
C10CG2THR- 1324.340Hydrophobic
C4SGCYS- 1643.610Hydrophobic
C12CBGLU- 1923.750Hydrophobic
C12CG2THR- 1943.660Hydrophobic
C10CG2THR- 1973.890Hydrophobic
C14CBPHE- 2153.930Hydrophobic
O1OALA- 2162.76122.46H-Bond
(Ligand Donor)
C3CG2ILE- 2543.840Hydrophobic
C2CBPHE- 2654.050Hydrophobic
C3CD2LEU- 2674.180Hydrophobic
C14CBSER- 3383.430Hydrophobic
C2CGPRO- 3754.280Hydrophobic