Receptor
PDB id Resolution Class Description Source Keywords
6QLV 2.39 Å EC: 4.1.1.- CRYSTAL STRUCTURE OF W200H UBIX IN COMPLEX WITH A GERANYL-FM ADDUCT 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
ACT F:302;
C:302;
J:302;
G:302;
B:302;
H:303;
I:303;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
HZZ J:303;
I:302;
H:302;
G:301;
B:303;
C:301;
A:301;
K:301;
L:302;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
234.229 C10 H19 O4 P CC(=C...
NA J:304;
F:303;
G:304;
B:304;
D:301;
I:301;
C:304;
 Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
none;
none;
none;
none;
 submit data
22.99 Na [Na+]
PO4 D:303;
F:304;
E:302;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
94.971 O4 P [O-]P...
FMN L:301;
E:301;
K:302;
F:301;
H:301;
D:302;
J:301;
A:302;
B:301;
 Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
HJN G:303;
C:303;
I:304;
 Valid;
Valid;
Valid;
 none;
none;
none;
 submit data
594.594 C27 H39 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: HZZ; Similar ligands found: 28
No: Ligand ECFP6 Tc MDL keys Tc
1 HZZ 1 1
2 0K3 0.918919 0.945946
3 FJP 0.918919 0.972222
4 DSL 0.918919 0.945946
5 GPP 0.704545 0.921053
6 FPP 0.680851 0.897436
7 GRG 0.680851 0.897436
8 OTP 0.680851 0.875
9 VTP 0.680851 0.875
10 ZTP 0.680851 0.875
11 9GB 0.6 0.916667
12 FPQ 0.592593 0.777778
13 4LR 0.567568 0.857143
14 749 0.533333 0.794872
15 GST 0.5 0.804878
16 C0X 0.491525 0.695652
17 FFF 0.491228 0.833333
18 GGS 0.490566 0.785714
19 FPS 0.490566 0.785714
20 FHP 0.489796 0.794872
21 FDF 0.473684 0.809524
22 FGG 0.457627 0.833333
23 ELR 0.442623 0.853659
24 ELU 0.442623 0.853659
25 FPF 0.440678 0.833333
26 2CF 0.440678 0.833333
27 MGM 0.435484 0.686275
28 3E9 0.42623 0.853659
Ligand no: 2; Ligand: FMN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Ligand no: 3; Ligand: HJN; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 HJN 1 1
2 4LS 0.815217 0.951219
3 9OU 0.535714 0.903614
4 9OC 0.521739 0.892857
5 FNR 0.472222 0.914634
6 4LU 0.418033 0.896552
7 4MJ 0.40146 0.929412
Similar Ligands (3D)
Ligand no: 1; Ligand: HZZ; Similar ligands found: 17
No: Ligand Similarity coefficient
1 DXJ 0.9221
2 BOW 0.9079
3 OKP 0.9065
4 XBP 0.9008
5 AZ1 0.8994
6 CH5 0.8993
7 9OD 0.8858
8 RUB 0.8824
9 GC7 0.8814
10 U4G 0.8806
11 DKA 0.8795
12 11A 0.8703
13 3NM 0.8680
14 XS6 0.8663
15 8AC 0.8616
16 DAO 0.8590
17 PUW 0.8511
Ligand no: 2; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Ligand no: 3; Ligand: HJN; 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
APoc FAQ
Feedback