Receptor
PDB id Resolution Class Description Source Keywords
4EJ1 1.75 Å EC: 1.5.1.3 BINDING OF NB113 CAMELID ANTIBODY FRAGMENT WITH THE BINARY D COMPLEX ESCHERICHIA COLI FOLATE OXIDOREDUCTASE-IMMUNE SYSTEM COMPLEX
Ref.: MECHANISTIC ANALYSIS OF ALLOSTERIC AND NON-ALLOSTER EFFECTS ARISING FROM NANOBODY BINDING TO TWO EPITOP DIHYROFOLATE REDUCTASE OF ESCHERICHIA COLI. BIOCHIM.BIOPHYS.ACTA V.1834 2147 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PO4 A:202;
B:202;
A:204;
A:203;
B:204;
B:203;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
94.971 O4 P [O-]P...
FOL B:201;
A:201;
Valid;
Valid;
none;
none;
submit data
441.397 C19 H19 N7 O6 c1cc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4EJ1 1.75 Å EC: 1.5.1.3 BINDING OF NB113 CAMELID ANTIBODY FRAGMENT WITH THE BINARY D COMPLEX ESCHERICHIA COLI FOLATE OXIDOREDUCTASE-IMMUNE SYSTEM COMPLEX
Ref.: MECHANISTIC ANALYSIS OF ALLOSTERIC AND NON-ALLOSTER EFFECTS ARISING FROM NANOBODY BINDING TO TWO EPITOP DIHYROFOLATE REDUCTASE OF ESCHERICHIA COLI. BIOCHIM.BIOPHYS.ACTA V.1834 2147 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 4EJ1 - FOL C19 H19 N7 O6 c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 4EJ1 - FOL C19 H19 N7 O6 c1cc(ccc1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 4EJ1 - FOL C19 H19 N7 O6 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FOL; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 FOL 1 1
2 29D 0.617647 0.967742
3 29C 0.617647 0.967742
4 28Z 0.617647 0.967742
5 DZF 0.58 0.983333
6 04J 0.545455 0.885246
7 DHF 0.514563 0.863636
8 9L9 0.45 0.791045
9 3TZ 0.447368 0.863636
10 FON 0.447368 0.802817
11 THF 0.446429 0.780822
12 83A 0.445455 0.921875
13 TLL 0.436975 0.75
14 LYA 0.429907 0.875
15 FFO 0.429825 0.802817
16 THG 0.428571 0.863636
17 1YJ 0.428571 0.863636
18 C2F 0.421053 0.77027
19 MTX 0.410714 0.779412
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4EJ1; 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: 4ej1.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4EJ1; 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: 4ej1.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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