Receptor
PDB id Resolution Class Description Source Keywords
3N39 2.5 Å EC: 1.17.4.1 RIBONUCLEOTIDE REDUCTASE DIMANGANESE(II)-NRDF FROM ESCHERICH COMPLEX WITH NRDI ESCHERICHIA COLI RIBONUCLEOTIDE REDUCTASE FOUR-HELIX BUNDLE DIMANGANESE CLUFLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR ACTIVATION OF CLASS IB RIBONUC REDUCTASE. SCIENCE V. 329 1526 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN C:134;
D:134;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
MN A:320;
A:321;
B:320;
B:321;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3N39 2.5 Å EC: 1.17.4.1 RIBONUCLEOTIDE REDUCTASE DIMANGANESE(II)-NRDF FROM ESCHERICH COMPLEX WITH NRDI ESCHERICHIA COLI RIBONUCLEOTIDE REDUCTASE FOUR-HELIX BUNDLE DIMANGANESE CLUFLAVOPROTEIN OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR ACTIVATION OF CLASS IB RIBONUC REDUCTASE. SCIENCE V. 329 1526 2010
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 3N39 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3N3A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3N3B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3N39 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3N3A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3N3B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 3N39 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 3N3A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3N3B - 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 : 3N39; 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: 3n39.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3N39; 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: 3n39.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
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