Receptor
PDB id Resolution Class Description Source Keywords
2IYG 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE DARK STATE STRUCTURE OF THE BLUF DOMAIN OF THE RHODOBACTERIAL PROTEIN APPA RHODOBACTER SPHAEROIDES SIGNAL TRANSDUCTION
Ref.: CRYSTAL STRUCTURES OF THE APPA BLUF DOMAIN PHOTOREC PROVIDE INSIGHTS INTO BLUE LIGHT- MEDIATED SIGNAL TRANSDUCTION. J.MOL.BIOL. V. 362 717 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DTT B:1123;
 Invalid;
 none;
 submit data
154.251 C4 H10 O2 S2 C([C@...
DTU A:1123;
 Invalid;
 none;
 submit data
154.251 C4 H10 O2 S2 C([C@...
FMN A:1122;
B:1122;
 Valid;
Valid;
 none;
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
2IYG 2.3 Å NON-ENZYME: TRANSCRIPT_TRANSLATE DARK STATE STRUCTURE OF THE BLUF DOMAIN OF THE RHODOBACTERIAL PROTEIN APPA RHODOBACTER SPHAEROIDES SIGNAL TRANSDUCTION
Ref.: CRYSTAL STRUCTURES OF THE APPA BLUF DOMAIN PHOTOREC PROVIDE INSIGHTS INTO BLUE LIGHT- MEDIATED SIGNAL TRANSDUCTION. J.MOL.BIOL. V. 362 717 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 308 families.
1 2IYG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 266 families.
1 2IYG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1YRX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 2IYG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1YRX - 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 : 2IYG; Ligand: FMN; Similar sites found with APoc: 28
This union binding pocket(no: 1) in the query (biounit: 2iyg.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5MBC FMN 37.0968
2 5MBC FMN 37.0968
3 4YUS FMN 37.0968
4 3GFZ FMN 37.9032
5 3GFZ FMN 37.9032
6 2HFN FMN 38.7097
7 2HFN FMN 38.7097
8 2HFN FMN 38.7097
9 1X0P FAD 38.7097
10 2HFN FMN 38.7097
11 1X0P FAD 38.7097
12 1X0P FAD 38.7097
13 1X0P FAD 38.7097
14 2HFN FMN 38.7097
15 2HFN FMN 38.7097
16 2HFN FMN 38.7097
17 1X0P FAD 38.7097
18 2HFN FMN 38.7097
19 1X0P FAD 38.7097
20 1X0P FAD 38.7097
21 1X0P FAD 38.7097
22 1X0P FAD 38.7097
23 2HFN FMN 38.7097
24 2HFN FMN 38.7097
25 1X0P FAD 38.7097
26 2BYC FMN 45.9677
27 2BYC FMN 45.9677
28 6W6Z FMN 47.2222
Pocket No.: 2; Query (leader) PDB : 2IYG; 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: 2iyg.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2IYG; Ligand: FMN; Similar sites found with APoc: 28
This union binding pocket(no: 3) in the query (biounit: 2iyg.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 5MBC FMN 37.0968
2 5MBC FMN 37.0968
3 4YUS FMN 37.0968
4 3GFZ FMN 37.9032
5 3GFZ FMN 37.9032
6 2HFN FMN 38.7097
7 2HFN FMN 38.7097
8 2HFN FMN 38.7097
9 2HFN FMN 38.7097
10 2HFN FMN 38.7097
11 2HFN FMN 38.7097
12 2HFN FMN 38.7097
13 1X0P FAD 38.7097
14 2HFN FMN 38.7097
15 1X0P FAD 38.7097
16 1X0P FAD 38.7097
17 1X0P FAD 38.7097
18 1X0P FAD 38.7097
19 1X0P FAD 38.7097
20 2HFN FMN 38.7097
21 1X0P FAD 38.7097
22 1X0P FAD 38.7097
23 1X0P FAD 38.7097
24 1X0P FAD 38.7097
25 2HFN FMN 38.7097
26 2BYC FMN 45.9677
27 2BYC FMN 45.9677
28 6W6Z FMN 47.2222
Pocket No.: 4; Query (leader) PDB : 2IYG; 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: 4) in the query (biounit: 2iyg.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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