Receptor
PDB id Resolution Class Description Source Keywords
4ZAX 1.61 Å EC: 4.1.1.- STRUCTURE OF UBIX IN COMPLEX WITH OXIDISED PRENYLATED FMN (R PSEUDOMONAS AERUGINOSA PRENYL TRANSFERASE FLAVIN BINDING UBIX TRANSFERASE
Ref.: UBIX IS A FLAVIN PRENYLTRANSFERASE REQUIRED FOR BAC UBIQUINONE BIOSYNTHESIS. NATURE V. 522 497 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SCN A:304;
A:303;
A:302;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
58.082 C N S C(#N)...
PO4 A:305;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
4LU A:301;
Valid;
none;
submit data
525.469 C22 H30 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ZAL 1.62 Å EC: 4.1.1.- STRUCTURE OF UBIX E49Q MUTANT IN COMPLEX WITH REDUCED FMN AN DIMETHYLALLYL MONOPHOSPHATE PSEUDOMONAS AERUGINOSA PRENYL TRANSFERASE UBIX FMN BINDING LYASE
Ref.: UBIX IS A FLAVIN PRENYLTRANSFERASE REQUIRED FOR BAC UBIQUINONE BIOSYNTHESIS. NATURE V. 522 497 2015
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4ZAW - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
2 6QLI - 4LR C5 H11 O4 P CC(=CCOP(=....
3 4ZAF Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
4 6QLL - 4LR C5 H11 O4 P CC(=CCOP(=....
5 3ZQU - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
6 4ZAY - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
7 4ZAG Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
8 4ZAV - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
9 6QLK - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
10 4ZAX - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
11 6QLJ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
12 4ZAL Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
13 6QLH - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
14 4ZAN Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
15 6QLV - HZZ C10 H19 O4 P CC(=CCC/C(....
16 4ZAZ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4ZAW - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
2 6QLI - 4LR C5 H11 O4 P CC(=CCOP(=....
3 4ZAF Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
4 6QLL - 4LR C5 H11 O4 P CC(=CCOP(=....
5 3ZQU - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
6 4ZAY - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
7 4ZAG Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
8 4ZAV - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
9 6QLK - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
10 4ZAX - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
11 6QLJ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
12 4ZAL Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
13 6QLH - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
14 4ZAN Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
15 6QLV - HZZ C10 H19 O4 P CC(=CCC/C(....
16 4ZAZ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
50% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4RHE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4ZAW - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
3 6QLI - 4LR C5 H11 O4 P CC(=CCOP(=....
4 4ZAF Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
5 6QLL - 4LR C5 H11 O4 P CC(=CCOP(=....
6 3ZQU - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
7 4ZAY - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
8 4ZAG Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
9 4ZAV - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
10 6QLK - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
11 4ZAX - 4LU C22 H30 N4 O9 P Cc1cc2c3c(....
12 6QLJ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
13 4ZAL Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
14 6QLH - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
15 4ZAN Kd = 12 uM 4LR C5 H11 O4 P CC(=CCOP(=....
16 6QLV - HZZ C10 H19 O4 P CC(=CCC/C(....
17 4ZAZ - 4LS C22 H31 N4 O9 P Cc1cc2c(cc....
18 6QLG - DMA C5 H12 O7 P2 CC(=CCO[P@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 4LU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 4LU 1 1
2 FNR 0.480769 0.903614
3 4MJ 0.460938 0.941176
4 FZZ 0.449153 0.953488
5 4LS 0.433628 0.894118
6 BYN 0.422764 0.987952
7 HJN 0.418033 0.896552
8 9OU 0.415254 0.892857
9 9OC 0.404959 0.904762
Similar Ligands (3D)
Ligand no: 1; Ligand: 4LU; Similar ligands found: 1
No: Ligand Similarity coefficient
1 FMN 0.8884
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZAL; Ligand: FNR; 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: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4ZAL; Ligand: FNR; 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: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4ZAL; Ligand: FNR; 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: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4ZAL; Ligand: FNR; 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: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4ZAL; Ligand: FNR; 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: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 7) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 8; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 8) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 9; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 9) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 10; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 10) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 11; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 11) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 12; Query (leader) PDB : 4ZAL; Ligand: FNR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 12) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 13; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 13) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 14; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 14) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 15; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 15) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 16; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 16) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 17; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 17) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 18; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 18) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 19; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 19) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 20; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 20) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 21; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 21) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 22; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 22) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 23; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 23) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 24; Query (leader) PDB : 4ZAL; Ligand: 4LR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 24) in the query (biounit: 4zal.bio1) has 90 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback