Receptor
PDB id Resolution Class Description Source Keywords
1AG9 1.8 Å NON-ENZYME: TRANSPORT FLAVODOXINS THAT ARE REQUIRED FOR ENZYME ACTIVATION: THE STRUCTURE OF OXIDIZED FLAVODOXIN FROM ESCHERICHIA COLI AT 1 .8 ANGSTROMS RESOLUTION. ESCHERICHIA COLI ELECTRON TRANSPORT REDUCTIVE ACTIVATION FLAVODOXIN ESCHERICHIA COLI
Ref.: A FLAVODOXIN THAT IS REQUIRED FOR ENZYME ACTIVATION: THE STRUCTURE OF OXIDIZED FLAVODOXIN FROM ESCHERICHIA COLI AT 1.8 A RESOLUTION. PROTEIN SCI. V. 6 2525 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BTB A:351;
B:301;
Invalid;
Invalid;
none;
none;
submit data
209.24 C8 H19 N O5 C(CO)...
CA A:200;
A:350;
B:1000;
B:300;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
CL A:405;
B:404;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
FMN A:177;
B:177;
Valid;
Valid;
none;
none;
Ki = 1 nM
456.344 C17 H21 N4 O9 P Cc1cc...
NA A:400;
A:401;
B:402;
B:403;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1AG9 1.8 Å NON-ENZYME: TRANSPORT FLAVODOXINS THAT ARE REQUIRED FOR ENZYME ACTIVATION: THE STRUCTURE OF OXIDIZED FLAVODOXIN FROM ESCHERICHIA COLI AT 1 .8 ANGSTROMS RESOLUTION. ESCHERICHIA COLI ELECTRON TRANSPORT REDUCTIVE ACTIVATION FLAVODOXIN ESCHERICHIA COLI
Ref.: A FLAVODOXIN THAT IS REQUIRED FOR ENZYME ACTIVATION: THE STRUCTURE OF OXIDIZED FLAVODOXIN FROM ESCHERICHIA COLI AT 1.8 A RESOLUTION. PROTEIN SCI. V. 6 2525 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 220 families.
1 1AG9 Ki = 1 nM 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 186 families.
1 1AG9 Ki = 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 1130 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 Kd = 0.38 mM 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 Kd = 1.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 1CZH Kd = 3.5 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 1CZO Kd = 0.35 mM 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 Ki = 1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FMN; Similar ligands found: 17
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 5DD 0.475248 0.972603
9 LFN 0.475 0.643836
10 C3F 0.473684 0.74359
11 CF4 0.463918 0.734177
12 FAY 0.446043 0.864198
13 FNR 0.444444 0.909091
14 RFL 0.442857 0.845238
15 4LS 0.411215 0.875
16 1VY 0.406593 0.769231
17 DLZ 0.404494 0.782051
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1AG9; Ligand: FMN; Similar sites found with APoc: 22
This union binding pocket(no: 1) in the query (biounit: 1ag9.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6EFV FMN 8
2 1B1C FMN 25.1429
3 1BVY FMN 26.8571
4 5VEG FMN 29.7143
5 5VEG FMN 29.7143
6 5VEG FMN 29.7143
7 4OXX FMN 32.716
8 5GXU FMN 33.7143
9 5FA6 FAD 36.5714
10 5FA6 NAP 36.5714
11 5FA6 FMN 36.5714
12 5FA6 FMN 36.5714
13 5FA6 NAP 36.5714
14 5FA6 FAD 36.5714
15 3FJO FMN 39.4286
16 6GAQ FMN 41.5584
17 6GAQ FMN 41.5584
18 6GAQ FMN 41.5584
19 6GAQ FMN 41.5584
20 4HEQ FMN 42.4658
21 4HEQ FMN 42.4658
22 6FSG FMN 42.8571
Pocket No.: 2; Query (leader) PDB : 1AG9; Ligand: FMN; Similar sites found with APoc: 23
This union binding pocket(no: 2) in the query (biounit: 1ag9.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 6EFV FMN 8
2 1RLJ FMN 17.9856
3 1B1C FMN 25.1429
4 1BVY FMN 26.8571
5 5VEG FMN 29.7143
6 5VEG FMN 29.7143
7 5VEG FMN 29.7143
8 4OXX FMN 32.716
9 5GXU FMN 33.7143
10 5FA6 FAD 36.5714
11 5FA6 FMN 36.5714
12 5FA6 NAP 36.5714
13 5FA6 NAP 36.5714
14 5FA6 FMN 36.5714
15 5FA6 FAD 36.5714
16 3FJO FMN 39.4286
17 6GAQ FMN 41.5584
18 6GAQ FMN 41.5584
19 6GAQ FMN 41.5584
20 6GAQ FMN 41.5584
21 4HEQ FMN 42.4658
22 4HEQ FMN 42.4658
23 6FSG FMN 42.8571
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