Receptor
PDB id Resolution Class Description Source Keywords
1PJ7 2.1 Å EC: 1.5.3.10 STRUCTURE OF DIMETHYLGLYCINE OXIDASE OF ARTHROBACTER GLOBIFO COMPLEX WITH FOLINIC ACID ARTHROBACTER GLOBIFORMIS CHANNELLING FAD BINDING FOLINIC ACID FOLATE BINDING AMINOXIDATION OXIDOREDUCTASE
Ref.: CHANNELLING AND FORMATION OF 'ACTIVE' FORMALDEHYDE DIMETHYLGLYCINE OXIDASE. EMBO J. V. 22 4038 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FAD A:902;
 Invalid;
 none;
 submit data
785.55 C27 H33 N9 O15 P2 Cc1cc...
FFO A:2887;
 Valid;
 none;
 submit data
473.439 C20 H23 N7 O7 c1cc(...
NA A:2001;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1PJ6 1.65 Å EC: 1.5.3.10 CRYSTAL STRUCTURE OF DIMETHYLGLYCINE OXIDASE OF ARTHROBACTER GLOBIFORMIS IN COMPLEX WITH FOLIC ACID ARTHROBACTER GLOBIFORMIS CHANNELLING FOLATE BINDING FAD BINDING AMINE OXIDATION OXIDOREDUCTASE
Ref.: CHANNELLING AND FORMATION OF 'ACTIVE' FORMALDEHYDE DIMETHYLGLYCINE OXIDASE. EMBO J. V. 22 4038 2003
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3GSI - THG C19 H23 N7 O6 c1cc(ccc1C....
2 1PJ6 - FOL C19 H19 N7 O6 c1cc(ccc1C....
3 1PJ7 - 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 1 families.
1 3GSI - THG C19 H23 N7 O6 c1cc(ccc1C....
2 1PJ6 - FOL C19 H19 N7 O6 c1cc(ccc1C....
3 1PJ7 - 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 1 families.
1 3GSI - THG C19 H23 N7 O6 c1cc(ccc1C....
2 1PJ6 - FOL C19 H19 N7 O6 c1cc(ccc1C....
3 1PJ7 - 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 : 1PJ6; Ligand: FOL; 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: 1pj6.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1PJ6; Ligand: FOL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1pj6.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1PJ6; Ligand: FOL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1pj6.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1PJ6; Ligand: FOL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1pj6.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1PJ6; Ligand: FOL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1pj6.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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