Receptor
PDB id Resolution Class Description Source Keywords
6QLJ 1.77 Å EC: 4.1.1.- CRYSTAL STRUCTURE OF F181Q UBIX IN COMPLEX WITH AN OXIDISED ADDUCT DERIVED FROM DMAP PSEUDOMONAS AERUGINOSA UBIX PRENYLTRANSFERASE FLAVIN BINDING TRANSFERASE
Ref.: THE UBIX FLAVIN PRENYLTRANSFERASE REACTION MECHANIS RESEMBLES CLASS I TERPENE CYCLASE CHEMISTRY. NAT COMMUN V. 10 2357 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
4LS A:301;
Valid;
none;
submit data
526.477 C22 H31 N4 O9 P Cc1cc...
NA A:302;
Part of Protein;
none;
submit data
22.99 Na [Na+]
PO4 A:303;
Invalid;
none;
submit data
94.971 O4 P [O-]P...
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: 4LS; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 4LS 1 1
2 HJN 0.815217 0.951219
3 9OU 0.594059 0.949367
4 9OC 0.576923 0.9375
5 FNR 0.525773 0.961538
6 4MJ 0.436508 0.904762
7 4LU 0.433628 0.894118
8 FMN 0.411215 0.875
9 9O9 0.40367 0.9125
10 T2P 0.401961 0.811765
11 T1P 0.401961 0.811765
12 T5P 0.401961 0.811765
13 T4P 0.401961 0.811765
Similar Ligands (3D)
Ligand no: 1; Ligand: 4LS; Similar ligands found: 0
No: Ligand Similarity coefficient
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
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