Receptor
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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:170;
Valid;
none;
Kd = 1 nM
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 209 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 Kd = 0.38 mM 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 Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 1CZO Kd = 0.35 mM 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 175 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 Kd = 0.38 mM 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 Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZO Kd = 0.35 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 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 2FCR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 5K9B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1D03 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1CZK Kd = 1.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1CZN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1D04 Kd = 0.38 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 1CZU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1OFV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 1CZL Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 1CZO Kd = 0.35 mM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 1CZR Kd = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 2BMV - BEN C7 H8 N2 [H]/N=C(c1....
26 1FUE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 1AG9 Ki = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 RS3 0.571429 0.831169
4 FAD 0.543307 0.876543
5 FAS 0.543307 0.876543
6 FAE 0.539062 0.865854
7 LFN 0.475 0.643836
8 C3F 0.473684 0.74359
9 CF4 0.463918 0.734177
10 FAY 0.446043 0.864198
11 FNR 0.444444 0.909091
12 RFL 0.442857 0.845238
13 4LS 0.411215 0.875
14 1VY 0.406593 0.769231
15 DLZ 0.404494 0.782051
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: 12
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 4H2D FMN 9.69697
3 5GXU FMN 10.0592
4 5VEG FMN 24.8521
5 4OXX FMN 29.6296
6 3FJO FMN 37.2781
7 1B1C FMN 37.8698
8 5FA6 FAD 37.8698
9 5FA6 FMN 37.8698
10 5FA6 NAP 37.8698
11 4HEQ FMN 45.2055
12 6GAQ FMN 46.1039
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