Receptor
PDB id Resolution Class Description Source Keywords
6QSA 1.7 Å EC: 2.7.11.1 CRYOGENIC TEMPERATURE STRUCTURE OF BLUE LIGHT-IRRADIATED ATP RECORDED AFTER AN ACCUMULATED DOSE OF 48 KGY ARABIDOPSIS THALIANA ROOM TEMPERATURE MACROMOLECULAR CRYSTALLOGRAPHY CRYO- CRYSTALLOGRAPHY SPECIFIC RADIATION DAMAGE TIME-RESOLVED CRYSTALLOGRAPHY PLANT PROTEIN
Ref.: SPECIFIC RADIATION DAMAGE IS A LESSER CONCERN AT RO TEMPERATURE. IUCRJ V. 6 665 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:1001;
 Valid;
 Atoms found MORE than expected: % Diff = 2;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6QQH 1.38 Å EC: 2.7.11.1 CRYOGENIC TEMPERATURE STRUCTURE OF THE GROUND STATE OF ATPHO RECORDED AFTER AN ACCUMULATED DOSE OF 2.68 MGY ARABIDOPSIS THALIANA ROOM TEMPERATURE MACROMOLECULAR CRYSTALLOGRAPHY CRYO- CRYSTALLOGRAPHY SPECIFIC RADIATION DAMAGE TIME-RESOLVED CRYSTALLOGRAPHY PLANT PROTEIN
Ref.: SPECIFIC RADIATION DAMAGE IS A LESSER CONCERN AT RO TEMPERATURE. IUCRJ V. 6 665 2019
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 133 families.
1 6QQJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6S45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6QQK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 6QSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 6QQH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 6QQI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 101 families.
1 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 6QQJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6S45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 6QQK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 6QSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 6QQH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 6QQI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 6GPU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 6GPV - LUM C12 H10 N4 O2 Cc1cc2c(cc....
50% Homology Family (39)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 6T74 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6GB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6GAY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 6GBV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 6GBA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2PR5 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1N9N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 2Z6C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 4EES - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 4EET - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 4NXE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 4EER - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 4NXG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 4NXF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 4EEP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 4EEU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 2V1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 2V0U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 6GG9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 6RHG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 6RHF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 5DKK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 6QQJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 6S45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 6QQK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 6QSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 6QQH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 6QQI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 6I25 - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
30 6I21 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
31 6I22 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 6I23 - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
33 6I24 - 5DD C18 H24 N3 O9 P Cc1cc2c(cc....
34 5SVV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
35 5SVW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
36 4R38 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
37 6GPU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 6GPV - LUM C12 H10 N4 O2 Cc1cc2c(cc....
39 2Z6D - 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 : 6QQH; Ligand: FMN; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 6qqh.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
1 4HIA FMN 45.3125
2 4HIA FMN 45.3125
3 4WUJ FMN 48.4375
4 4WUJ FMN 48.4375
5 4WUJ FMN 48.4375
6 4WUJ FMN 48.4375
7 4WUJ FMN 48.4375
8 4WUJ FMN 48.4375
9 4WUJ FMN 48.4375
10 4WUJ FMN 48.4375
11 3P7N FMN 50
12 3P7N FMN 50
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