Receptor
PDB id Resolution Class Description Source Keywords
2HS3 2.3 Å EC: 6.3.5.3 T. MARITIMA PURL COMPLEXED WITH FGAR THERMOTOGA MARITIMA BETA BARREL; ALPHA-BETA STRUCTURE LIGASE
Ref.: COMPLEXED STRUCTURES OF FORMYLGLYCINAMIDE RIBONUCLEOTIDE AMIDOTRANSFERASE FROM THERMOTOGA MARITIMA DESCRIBE A NOVEL ATP BINDING PROTEIN SUPERFAMILY BIOCHEMISTRY V. 45 14880 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FGR A:2166;
Valid;
none;
submit data
314.186 C8 H15 N2 O9 P C([C@...
PO4 A:905;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HS3 2.3 Å EC: 6.3.5.3 T. MARITIMA PURL COMPLEXED WITH FGAR THERMOTOGA MARITIMA BETA BARREL; ALPHA-BETA STRUCTURE LIGASE
Ref.: COMPLEXED STRUCTURES OF FORMYLGLYCINAMIDE RIBONUCLEOTIDE AMIDOTRANSFERASE FROM THERMOTOGA MARITIMA DESCRIBE A NOVEL ATP BINDING PROTEIN SUPERFAMILY BIOCHEMISTRY V. 45 14880 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2HS3 - FGR C8 H15 N2 O9 P C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2HS3 - FGR C8 H15 N2 O9 P C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 2HS3 - FGR C8 H15 N2 O9 P C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FGR; Similar ligands found: 10
No: Ligand ECFP6 Tc MDL keys Tc
1 FGR 1 1
2 GAR 0.516129 0.932203
3 4QY 0.4375 0.786885
4 16G 0.4375 0.786885
5 BMX 0.4375 0.786885
6 AHG 0.433962 0.672414
7 ABF 0.410714 0.655172
8 RP5 0.410714 0.655172
9 HSX 0.410714 0.655172
10 FDQ 0.4 0.689655
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HS3; Ligand: FGR; Similar sites found: 12
This union binding pocket(no: 1) in the query (biounit: 2hs3.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1ME8 RVP 0.01812 0.40368 0.994036
2 2B8W ALF 5GP 0.005358 0.41226 3.65854
3 4Z2S NAG 0.02279 0.40348 4.22535
4 4Z2S NDG 0.02279 0.40348 4.22535
5 1UY4 XYP XYP XYP XYP 0.02488 0.40559 5.51724
6 4TO8 FLC 0.01144 0.40389 5.82192
7 4AF0 IMP 0.003729 0.41748 6.47482
8 1JJ7 ADP 0.009315 0.42337 6.53846
9 2CBZ ATP 0.005916 0.43379 8.43882
10 1GXU 2HP 0.004237 0.46186 8.79121
11 1XS5 MET 0.01508 0.41179 10.7884
12 2B99 RDL 0.01157 0.40478 22.4359
Feedback