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 (2D)
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 16G 0.4375 0.786885
4 4QY 0.4375 0.786885
5 BMX 0.4375 0.786885
6 AHG 0.433962 0.672414
7 ABF 0.410714 0.655172
8 HSX 0.410714 0.655172
9 RP5 0.410714 0.655172
10 FDQ 0.4 0.689655
Similar Ligands (3D)
Ligand no: 1; Ligand: FGR; Similar ligands found: 7
No: Ligand Similarity coefficient
1 IR8 0.8912
2 PSU 0.8884
3 AIR 0.8841
4 UP6 0.8836
5 ICR 0.8809
6 IRN 0.8749
7 NMN 0.8633
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HS3; Ligand: FGR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2hs3.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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