Receptor
PDB id Resolution Class Description Source Keywords
4H2D 1.8 Å EC: 1.6.-.- CRYSTAL STRUCTURE OF NDOR1 HOMO SAPIENS OXIDOREDUCTASE
Ref.: MOLECULAR VIEW OF AN ELECTRON TRANSFER PROCESS ESSE IRON-SULFUR PROTEIN BIOGENESIS. PROC.NATL.ACAD.SCI.USA V. 110 7136 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:200;
B:201;
Valid;
Valid;
none;
none;
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456.344 C17 H21 N4 O9 P Cc1cc...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4H2D 1.8 Å EC: 1.6.-.- CRYSTAL STRUCTURE OF NDOR1 HOMO SAPIENS OXIDOREDUCTASE
Ref.: MOLECULAR VIEW OF AN ELECTRON TRANSFER PROCESS ESSE IRON-SULFUR PROTEIN BIOGENESIS. PROC.NATL.ACAD.SCI.USA V. 110 7136 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4H2D - 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 2 families.
1 4H2D - 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 1 families.
1 4H2D - 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 : 4H2D; Ligand: FMN; Similar sites found with APoc: 8
This union binding pocket(no: 1) in the query (biounit: 4h2d.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1CZR FMN 9.69697
2 2WC1 FMN 25.4545
3 5K9B FMN 25.4545
4 4OXX FMN 35.8025
5 1BVY FMN 40.6061
6 3FJO FMN 41.8182
7 5GXU FMN 43.6364
8 1TLL FMN 46.6667
Pocket No.: 2; Query (leader) PDB : 4H2D; 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: 4h2d.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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