Receptor
PDB id Resolution Class Description Source Keywords
3a6r 1.2 Å NON-ENZYME: TRANSPORT E13Q MUTANT OF FMN-BINDING PROTEIN FROM DESULFOVIBRIO VULGAR (MIYAZAKI F) DESULFOVIBRIO VULGARIS ELECTRON TRANSPORT FLAVOPROTEIN FMN
Ref.: EFFECTS OF THE DISAPPEARANCE OF ONE CHARGE ON ULTRA FLUORESCENCE DYNAMICS OF THE FMN BINDING PROTEIN. J.PHYS.CHEM.B V. 114 6175 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:2002;
C:2001;
D:2003;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
35.453 Cl [Cl-]
FMN A:123;
B:123;
C:123;
D:123;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
Kd = 1.39 nM
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FLM 1.3 Å NON-ENZYME: TRANSPORT DIMER OF FMN-BINDING PROTEIN FROM DESULFOVIBRIO VULGARIS (MI DESULFOVIBRIO VULGARIS STR. -prime MIYAZAKI ORGANISM_TAXID: 883 FMN BINDING ELECTRON TRANSPORT
Ref.: HOW DO THE X-RAY STRUCTURE AND THE NMR STRUCTURE OF FMN-BINDING PROTEIN DIFFER? ACTA CRYSTALLOGR.,SECT.D V. 56 368 2000
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 3A20 Kd = 1.12 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1WLK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1FLM Kd = 0.43 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3A6Q Kd = 0.9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WLI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3A6R Kd = 1.39 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 175 families.
1 3A20 Kd = 1.12 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1WLK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1FLM Kd = 0.43 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3A6Q Kd = 0.9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WLI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3A6R Kd = 1.39 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 149 families.
1 3A20 Kd = 1.12 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 1WLK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1FLM Kd = 0.43 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3A6Q Kd = 0.9 nM FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1WLI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 3A6R Kd = 1.39 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 : 1FLM; 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: 1flm.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1FLM; 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: 2) in the query (biounit: 1flm.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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