Receptor
PDB id Resolution Class Description Source Keywords
5NUL 1.6 Å NON-ENZYME: TRANSPORT CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T SEMIQUINONE (150K) CLOSTRIDIUM BEIJERINCKII ELECTRON TRANSPORT FLAVOPROTEIN FMN
Ref.: CONTROL OF OXIDATION-REDUCTION POTENTIALS IN FLAVODOXIN FROM CLOSTRIDIUM BEIJERINCKII: THE ROLE OF CONFORMATION CHANGES. BIOCHEMISTRY V. 36 1259 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:139;
Valid;
none;
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
5NUL 1.6 Å NON-ENZYME: TRANSPORT CLOSTRIDIUM BEIJERINCKII FLAVODOXIN MUTANT: G57T SEMIQUINONE (150K) CLOSTRIDIUM BEIJERINCKII ELECTRON TRANSPORT FLAVOPROTEIN FMN
Ref.: CONTROL OF OXIDATION-REDUCTION POTENTIALS IN FLAVODOXIN FROM CLOSTRIDIUM BEIJERINCKII: THE ROLE OF CONFORMATION CHANGES. BIOCHEMISTRY V. 36 1259 1997
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5ULL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2FAX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 5NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1FLN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 6NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 2FDX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 5NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 2FOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1FLD - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1FLA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 5ULL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2FAX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 5NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 4NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 2FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1FLN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 6NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 2FDX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 5NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 2FOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1FLD - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1FLA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (52)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 3KAQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3KAP Kd = 0.1 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 5YOG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 1C7E Kd = 505 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WSB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3FX2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 5YOB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1J9E - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 1BU5 - RBF C17 H20 N4 O6 Cc1cc2c(cc....
10 1AKR Kd = 0.82 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 1AKW Kd = 2.6 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 5YOE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1C7F Kd = 0.3 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
14 1XT6 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 1XYV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 1AKQ Kd = 0.79 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 1WSW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 1AZL Kd = 2.4 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 5YOC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1AKU Kd = 746 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 2FX2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 5FX2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 1AKV Kd = 0.0026 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 1J8Q - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
25 1XYY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 1FX1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
27 1J9G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 1AKT Kd = 3.2 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 1I1O - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
30 1F4P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
31 4FX2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 6FT1 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
33 6FSG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
34 6FSI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
35 3NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
36 2FAX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
37 5NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 2FLV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
39 4NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
40 1FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
41 2FVX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
42 1FLN - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
43 6NUL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
44 2FDX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
45 5NLL - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
46 2FOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
47 1FLD - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
48 1FLA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
49 6GAQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50 4HEQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
51 3F6R - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
52 3F6S - 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 : 5NUL; 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: 1) in the query (biounit: 5nul.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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