Receptor
PDB id Resolution Class Description Source Keywords
1QD1 1.7 Å EC: 2.1.2.5 THE CRYSTAL STRUCTURE OF THE FORMIMINOTRANSFERASE DOMAIN OF FORMIMINOTRANSFERASE-CYCLODEAMINASE. SUS SCROFA FUNCTIONAL DIMER ALPHA-BETA-BETA-ALPHA SANDWICH ELECTROSTACHARGED SUBSTRATE TUNNEL TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF THE FORMIMINOTRANSFERASE D FORMIMINOTRANSFERASE-CYCLODEAMINASE: IMPLICATIONS F SUBSTRATE CHANNELING IN A BIFUNCTIONAL ENZYME. STRUCTURE FOLD.DES. V. 8 35 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FON A:330;
B:2330;
Valid;
Valid;
none;
none;
submit data
473.439 C20 H23 N7 O7 c1cc(...
GOL A:480;
B:2480;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1QD1 1.7 Å EC: 2.1.2.5 THE CRYSTAL STRUCTURE OF THE FORMIMINOTRANSFERASE DOMAIN OF FORMIMINOTRANSFERASE-CYCLODEAMINASE. SUS SCROFA FUNCTIONAL DIMER ALPHA-BETA-BETA-ALPHA SANDWICH ELECTROSTACHARGED SUBSTRATE TUNNEL TRANSFERASE
Ref.: THE CRYSTAL STRUCTURE OF THE FORMIMINOTRANSFERASE D FORMIMINOTRANSFERASE-CYCLODEAMINASE: IMPLICATIONS F SUBSTRATE CHANNELING IN A BIFUNCTIONAL ENZYME. STRUCTURE FOLD.DES. V. 8 35 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QD1 - FON C20 H23 N7 O7 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 1 families.
1 1QD1 - FON C20 H23 N7 O7 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 1 families.
1 1QD1 - FON C20 H23 N7 O7 c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FON; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 FON 1 1
2 FFO 0.683168 1
3 TLL 0.663551 0.931507
4 C2F 0.550459 0.957747
5 THF 0.536364 0.943662
6 MHF 0.535714 0.881579
7 DHF 0.523364 0.926471
8 1YJ 0.518182 0.926471
9 THG 0.518182 0.926471
10 THH 0.486726 0.8
11 21V 0.469027 0.847222
12 DDF 0.469027 0.847222
13 DZF 0.447368 0.788732
14 FOL 0.447368 0.802817
15 TMF 0.428571 0.866667
16 9L9 0.420561 0.855072
17 LYA 0.415929 0.72973
18 MEF 0.413223 0.881579
19 1YA 0.413223 0.970588
20 83A 0.40678 0.77027
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1QD1; Ligand: FON; Similar sites found: 33
This union binding pocket(no: 1) in the query (biounit: 1qd1.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4X5S AZM 0.02095 0.41353 1.72414
2 1Y7P RIP 0.0009081 0.40006 1.79372
3 4WOE ADP 0.00584 0.44335 1.84615
4 3E8N ATP 0.013 0.40221 1.84615
5 4D4U FUC NDG GAL FUC 0.003251 0.45756 1.90476
6 4ZS4 ATP 0.01075 0.40045 1.9544
7 5HCY 60D 0.003317 0.42676 2.46154
8 5D9G GLU ASN LEU TYR PHE GLN 0.007377 0.43133 2.84553
9 4X17 SIA SIA 0.02351 0.40566 3.67647
10 5T96 79J 0.0219 0.41188 3.69231
11 3ZJX BOG 0.02533 0.41112 3.80623
12 2ZTG A5A 0.01292 0.40011 4.30769
13 4B7E OGA 0.03266 0.40268 4.61538
14 5IXG OTP 0.01581 0.40026 4.73373
15 5AIG VPR 0.02226 0.40687 4.8
16 1DZK PRZ 0.01513 0.40374 5.09554
17 5C5T AKG 0.01329 0.41832 5.26316
18 4MNP SLB 0.01708 0.40485 5.44872
19 2OFD NGA 0.02445 0.41292 5.6338
20 2A1L PCW 0.01071 0.40585 5.92593
21 4Z28 BTN 0.02065 0.40457 5.97015
22 4Z2S NAG 0.03209 0.40609 6.33803
23 4Z2S NDG 0.03209 0.40609 6.33803
24 1WUB OTP 0.002688 0.43068 6.74157
25 4ZU4 4TG 0.008863 0.40417 8.10811
26 5NBW 8SK 0.01521 0.4073 8.41121
27 5KO1 6UY 0.004347 0.42535 9.18728
28 2B4B B33 0.02676 0.40366 11.6959
29 5FWE OGA 0.02912 0.40575 12
30 5FU3 BGC BGC BGC 0.0309 0.40475 13.2075
31 4ONT SIA GAL BGC 0.0214 0.41785 13.9535
32 4RYV ZEA 0.00204 0.45443 20.6452
33 2CDO GAL AAL GAL AAL GAL AAL 0.02336 0.40268 26.875
Pocket No.: 2; Query (leader) PDB : 1QD1; Ligand: FON; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1qd1.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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