Receptor
PDB id Resolution Class Description Source Keywords
1WOP 2 Å EC: 2.1.2.10 CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM THERMOTOGA MARITIMA AMINOMETHYLTRANSFERASE T-PROTEIN FOLINIC ACID
Ref.: CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM: COFACTOR BINDING, INSIGHTS INTO H-PROTEIN RECOGNITION, AND MOLECULAR BASIS FOR UNDERSTANDING NONKETOTIC HYPERGLYCINEMIA J.BIOL.CHEM. V. 279 50514 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FFO A:2887;
A:2888;
 Valid;
Valid;
 none;
none;
 submit data
473.439 C20 H23 N7 O7 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1WOR 1.95 Å EC: 2.1.2.10 CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM THERMOTOGA MARITIMA AMINOMETHYLTRANSFERASE T-PROTEIN DIHYDROLIPOIC ACID
Ref.: CRYSTAL STRUCTURE OF T-PROTEIN OF THE GLYCINE CLEAVAGE SYSTEM: COFACTOR BINDING, INSIGHTS INTO H-PROTEIN RECOGNITION, AND MOLECULAR BASIS FOR UNDERSTANDING NONKETOTIC HYPERGLYCINEMIA J.BIOL.CHEM. V. 279 50514 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WOR - RED C8 H16 O2 S2 C(CCC(=O)O....
2 1WOO - THG C19 H23 N7 O6 c1cc(ccc1C....
3 1WOP - FFO C20 H23 N7 O7 c1cc(ccc1C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WOR - RED C8 H16 O2 S2 C(CCC(=O)O....
2 1WOO - THG C19 H23 N7 O6 c1cc(ccc1C....
3 1WOP - FFO C20 H23 N7 O7 c1cc(ccc1C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1WOR - RED C8 H16 O2 S2 C(CCC(=O)O....
2 1WOO - THG C19 H23 N7 O6 c1cc(ccc1C....
3 1WOP - FFO C20 H23 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: FFO; Similar ligands found: 27
No: Ligand ECFP6 Tc MDL keys Tc
1 FFO 1 1
2 C2F 0.739583 0.957747
3 FON 0.683168 1
4 THG 0.617647 0.926471
5 1YJ 0.617647 0.926471
6 MEF 0.550459 0.881579
7 TLL 0.530435 0.931507
8 1YA 0.508929 0.970588
9 THF 0.504505 0.943662
10 THH 0.495495 0.8
11 FGD 0.472222 0.785714
12 9L9 0.456311 0.855072
13 DHF 0.45045 0.926471
14 3TZ 0.440678 0.723684
15 83A 0.438596 0.77027
16 GUE 0.432203 0.917808
17 GHC 0.429825 0.6625
18 DZF 0.429825 0.788732
19 FOL 0.429825 0.802817
20 29C 0.428571 0.780822
21 29D 0.428571 0.780822
22 28Z 0.428571 0.780822
23 MHF 0.416667 0.881579
24 GHW 0.412281 0.670886
25 DDF 0.401709 0.847222
26 21V 0.401709 0.847222
27 TMF 0.4 0.866667
Similar Ligands (3D)
Ligand no: 1; Ligand: FFO; Similar ligands found: 1
No: Ligand Similarity coefficient
1 MTX 0.8934
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1WOR; Ligand: RED; 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: 1wor.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
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