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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:

1ftl

1.800 Å

X-ray

2000-09-12

Interactomes:
Molecular Function:
Binding Site :

Uniprot Annotation

Name:Glutamate receptor 2
ID:GRIA2_RAT
AC:P19491
Organism:Rattus norvegicus
Reign:Eukaryota
TaxID:10116
EC Number:/


Chains:

Chain Name:Percentage of Residues
within binding site
B100 %


Ligand binding site composition:

B-Factor:10.699
Number of residues:21
Including
Standard Amino Acids: 21
Non Standard Amino Acids: 0
Water Molecules: 0
Cofactors:
Metals:

Cavity properties

LigandabilityVolume (Å3)
0.422718.875

% Hydrophobic% Polar
41.3158.69
According to VolSite

Ligand :
1ftl_2 Structure
HET Code: DNQ
Formula: C8H2N4O6
Molecular weight: 250.125 g/mol
DrugBank ID: DB03759
Buried Surface Area:70.9 %
Polar Surface area: 150.49 Å2
Number of
H-Bond Acceptors: 8
H-Bond Donors: 0
Rings: 2
Aromatic rings: 0
Anionic atoms: 2
Cationic atoms: 2
Rule of Five Violation: 0
Rotatable Bonds: 2

Mass center Coordinates

XYZ
28.90095.6415639.0357


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
N1OPRO- 892.65163.6H-Bond
(Ligand Donor)
C5CBPRO- 894.20Hydrophobic
O1NTHR- 913.02161.57H-Bond
(Protein Donor)
O1NH1ARG- 962.71139.53H-Bond
(Protein Donor)
O1NH2ARG- 963.34121.81H-Bond
(Protein Donor)
O2NH2ARG- 962.92156.57H-Bond
(Protein Donor)