Receptor
PDB id Resolution Class Description Source Keywords
1czl 1.8 Å NON-ENZYME: TRANSPORT COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYST NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS. SYNECHOCOCCUS ELONGATUS FLAVODOXIN FMN BINDING REDOX POTENTIAL ELECTRON TRANSPORT
Ref.: COMPARISONS OF WILD-TYPE AND MUTANT FLAVODOXINS FRO ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE POTENTIALS. J.MOL.BIOL. V. 294 725 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:170;
Valid;
none;
Ka = 1400000000 M^-1
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1CZR 1.9 Å NON-ENZYME: TRANSPORT COMPARISONS OF WILD TYPE AND MUTANT FLAVODOXINS FROM ANACYST NIDULANS. STRUCTURAL DETERMINANTS OF THE REDOX POTENTIALS. SYNECHOCOCCUS ELONGATUS FLAVODOXIN REDOX POTENTIAL FMN BINDING ELECTRON TRANSPORT
Ref.: COMPARISONS OF WILD-TYPE AND MUTANT FLAVODOXINS FRO ANACYSTIS NIDULANS. STRUCTURAL DETERMINANTS OF THE POTENTIALS. J.MOL.BIOL. V. 294 725 1999
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1D04 Ka = 38000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1CZL Ka = 1400000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1CZH Ka = 3500000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 1CZO Ka = 35000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 3ESY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1OBV Kd = 1.04 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1RCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2V5V Kd = 4.8 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1OBO Kd = 6.72 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 3ESX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 3ESZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2V5U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 5LJP Ka = 83000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 1D04 Ka = 38000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1CZL Ka = 1400000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1CZH Ka = 3500000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZO Ka = 35000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (29)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 2WC1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3ESY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1OBV Kd = 1.04 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1RCF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 2V5V Kd = 4.8 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1OBO Kd = 6.72 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 3ESX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 3ESZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2V5U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 5LJP Ka = 83000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6OHL Kd = 34 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 6OHK Kd = 9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 2FCR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 5K9B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1D04 Ka = 38000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 1CZL Ka = 1400000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 1CZH Ka = 3500000000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 1CZO Ka = 35000 M^-1 FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 2BMV - BEN C7 H8 N2 [H]/N=C(c1....
28 1FUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 1AG9 Kd = 1 nM 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 : 1CZR; Ligand: FMN; Similar sites found with APoc: 29
This union binding pocket(no: 1) in the query (biounit: 1czr.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1BVY FMN 4.14201
2 6EFV FMN 8.87574
3 4H2D FMN 9.69697
4 5GXU FMN 10.0592
5 5VEG FMN 24.8521
6 5VEG FMN 24.8521
7 5VEG FMN 24.8521
8 4OXX FMN 29.6296
9 6T1T FMN 30.7692
10 6T1T FAD 30.7692
11 6T1T NDP 30.7692
12 6T1T FMN 30.7692
13 6T1T FAD 30.7692
14 6T1T NDP 30.7692
15 3FJO FMN 37.2781
16 5FA6 FAD 37.8698
17 5FA6 NAP 37.8698
18 5FA6 FMN 37.8698
19 1B1C FMN 37.8698
20 5FA6 FMN 37.8698
21 5FA6 FAD 37.8698
22 5FA6 NAP 37.8698
23 6LI0 FMN 40.8284
24 4HEQ FMN 45.2055
25 4HEQ FMN 45.2055
26 6GAQ FMN 46.1039
27 6GAQ FMN 46.1039
28 6GAQ FMN 46.1039
29 6GAQ FMN 46.1039
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