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 (2D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 18
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 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
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: 16
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 6T1T FAD 41.2121
7 6T1T NDP 41.2121
8 6T1T FMN 41.2121
9 6T1T FMN 41.2121
10 6T1T NDP 41.2121
11 6T1T FAD 41.2121
12 3FJO FMN 41.8182
13 6EFV FMN 41.8182
14 5GXU FMN 43.6364
15 1TLL FMN 46.6667
16 1TLL FMN 46.6667
Pocket No.: 2; Query (leader) PDB : 4H2D; Ligand: FMN; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 4h2d.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4OXX FMN 35.8025
2 6T1T FMN 41.2121
3 6T1T FAD 41.2121
4 6T1T NDP 41.2121
5 6EFV FMN 41.8182
6 3FJO FMN 41.8182
7 5GXU FMN 43.6364
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