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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 HSX 0.410714 0.655172
8 RP5 0.410714 0.655172
9 ABF 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 with APoc: 42
This union binding pocket(no: 1) in the query (biounit: 2hs3.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1ME8 RVP 0.994036
2 1PVN MZP 1.06383
3 5AHM IMP 1.25
4 5WXU FLC 1.87891
5 2AF6 FAD 1.93798
6 4Z87 5GP 2.66667
7 4ZY1 4U5 2.87356
8 6C0B MLI 2.87356
9 4UTG ANP 2.89017
10 2JHP GUN 2.98507
11 4IXH IMP 3.04709
12 4Z0G 5GP 3.38983
13 3WIR BGC 3.64842
14 2B8W ALF 5GP 3.65854
15 4U00 ADP 3.68852
16 4GA6 AMP 3.7037
17 1KSK URA 3.84615
18 4Z2S NDG 4.22535
19 4Z2S NAG 4.22535
20 2OFE NAG 4.22535
21 4IJ6 SEP 4.2654
22 4QM7 GTP 4.67836
23 2I3G NAP 5.39773
24 1UY4 XYP XYP XYP XYP 5.51724
25 3EJW PAV 5.71429
26 4TO8 FLC 5.82192
27 6BA2 7KM 6.1017
28 2PZE ATP 6.11354
29 4AF0 IMP 6.47482
30 1JJ7 ADP 6.53846
31 2AWN ADP 7.08661
32 5H68 AGS 7.35294
33 5FII PHE 7.84314
34 5UI2 SUC 7.88644
35 2CBZ ATP 8.43882
36 1GXU 2HP 8.79121
37 4EKQ NPO 9.09091
38 1A8U BEZ 9.74729
39 1R0X ATP 9.79021
40 1XS5 MET 10.7884
41 5EIN NAP 12.963
42 2B99 RDL 22.4359
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