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Receptor
PDB id Resolution Class Description Source Keywords
1EJE 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF AN FMN-BINDING PROTEIN METHANOTHERMOBACTER THERMAUTOTROPHICUSORGANISM_TAXID: 145262 FMN-BINDING PROTEIN STRUCTURAL GENOMICS PSI PROTEIN STRUCINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGBINDING PROTEIN
Ref.: STRUCTURAL PROTEOMICS OF AN ARCHAEON. NAT.STRUCT.BIOL. V. 7 903 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:401;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
NI A:201;
A:202;
Part of Protein;
Part of Protein;
none;
none;
submit data
58.693 Ni [Ni+2...
SO4 A:301;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1EJE 2.2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF AN FMN-BINDING PROTEIN METHANOTHERMOBACTER THERMAUTOTROPHICUSORGANISM_TAXID: 145262 FMN-BINDING PROTEIN STRUCTURAL GENOMICS PSI PROTEIN STRUCINITIATIVE NORTHEAST STRUCTURAL GENOMICS CONSORTIUM NESGBINDING PROTEIN
Ref.: STRUCTURAL PROTEOMICS OF AN ARCHAEON. NAT.STRUCT.BIOL. V. 7 903 2000
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 1EJE - 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 391 families.
1 1EJE - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 1EJE - 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 : 1EJE; Ligand: FMN; Similar sites found with APoc: 10
This union binding pocket(no: 1) in the query (biounit: 1eje.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1CFV E3G 7.07965
2 4F07 FAD 8.85417
3 6AM8 TRP 9.375
4 1I0S FMN 28.9941
5 1I0S NAP 28.9941
6 1YOA FAD 31.4465
7 2ED4 FAD 32.2148
8 1USF NAP 34.8315
9 1USF FMN 34.8315
10 3BNK FMN 38.0208
Pocket No.: 2; Query (leader) PDB : 1EJE; 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: 1eje.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
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