Receptor
PDB id Resolution Class Description Source Keywords
4YUS 1.8 Å EC: 4.6.1.1 CRYSTAL STRUCTURE OF PHOTOACTIVATED ADENYLYL CYCLASE OF A CYANOBACTERIAOSCILLATORIA ACUMINATA IN HEXAGONAL FORM OSCILLATORIA ACUMINATA PCC 6304 PHOTOACTIVATION ADENYLATE CYCLASE LYASE
Ref.: STRUCTURAL INSIGHT INTO PHOTOACTIVATION OF AN ADENY CYCLASE FROM A PHOTOSYNTHETIC CYANOBACTERIUM PROC.NATL.ACAD.SCI.USA V. 113 6659 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:401;
 Valid;
 none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4YUS 1.8 Å EC: 4.6.1.1 CRYSTAL STRUCTURE OF PHOTOACTIVATED ADENYLYL CYCLASE OF A CYANOBACTERIAOSCILLATORIA ACUMINATA IN HEXAGONAL FORM OSCILLATORIA ACUMINATA PCC 6304 PHOTOACTIVATION ADENYLATE CYCLASE LYASE
Ref.: STRUCTURAL INSIGHT INTO PHOTOACTIVATION OF AN ADENY CYCLASE FROM A PHOTOSYNTHETIC CYANOBACTERIUM PROC.NATL.ACAD.SCI.USA V. 113 6659 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4YUS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 4YUS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 223 families.
1 4YUS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 5MBC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5MBJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 5MBD - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 5NBY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 5M27 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 5MBK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 5MBH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 5MBE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 5M2A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; 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
Similar Ligands (3D)
Ligand no: 1; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4YUS; Ligand: FMN; Similar sites found with APoc: 34
This union binding pocket(no: 1) in the query (biounit: 4yus.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 3GFZ FMN 13.8743
2 3GFZ FMN 13.8743
3 2BYC FMN 35.0365
4 2BYC FMN 35.0365
5 1YRX FMN 36.3636
6 1YRX FMN 36.3636
7 1YRX FMN 36.3636
8 1YRX FMN 36.3636
9 1YRX FMN 36.3636
10 1YRX FMN 36.3636
11 1YRX FMN 36.3636
12 2IYG FMN 37.0968
13 2IYG FMN 37.0968
14 2HFN FMN 37.9085
15 2HFN FMN 37.9085
16 2HFN FMN 37.9085
17 2HFN FMN 37.9085
18 2HFN FMN 37.9085
19 2HFN FMN 37.9085
20 2HFN FMN 37.9085
21 2HFN FMN 37.9085
22 2HFN FMN 37.9085
23 2HFN FMN 37.9085
24 6W6Z FMN 39.1026
25 1X0P FAD 43.3566
26 1X0P FAD 43.3566
27 1X0P FAD 43.3566
28 1X0P FAD 43.3566
29 1X0P FAD 43.3566
30 1X0P FAD 43.3566
31 1X0P FAD 43.3566
32 1X0P FAD 43.3566
33 1X0P FAD 43.3566
34 1X0P FAD 43.3566
Pocket No.: 2; Query (leader) PDB : 4YUS; Ligand: FMN; 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: 4yus.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback