Receptor
PDB id Resolution Class Description Source Keywords
4N82 1.88 Å EC: 1.-.-.- X-RAY CRYSTAL STRUCTURE OF STREPTOCOCCUS SANGUINIS NRDIOX STREPTOCOCCUS SANGUINIS FLAVOPROTEIN RIBONUCLEOTIDE REDUCTASE OXIDATION-REDUCTIONMONONUCLEOTIDE OXIDOREDUCTASE
Ref.: STREPTOCOCCUS SANGUINIS CLASS IB RIBONUCLEOTIDE RED HIGH ACTIVITY WITH BOTH IRON AND MANGANESE COFACTOR STRUCTURAL INSIGHTS. J.BIOL.CHEM. V. 289 6259 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:201;
B:201;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
SO4 B:202;
A:202;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4N82 1.88 Å EC: 1.-.-.- X-RAY CRYSTAL STRUCTURE OF STREPTOCOCCUS SANGUINIS NRDIOX STREPTOCOCCUS SANGUINIS FLAVOPROTEIN RIBONUCLEOTIDE REDUCTASE OXIDATION-REDUCTIONMONONUCLEOTIDE OXIDOREDUCTASE
Ref.: STREPTOCOCCUS SANGUINIS CLASS IB RIBONUCLEOTIDE RED HIGH ACTIVITY WITH BOTH IRON AND MANGANESE COFACTOR STRUCTURAL INSIGHTS. J.BIOL.CHEM. V. 289 6259 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 4N82 - 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 337 families.
1 4N82 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 6EBQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 4N82 - 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 : 4N82; Ligand: FMN; Similar sites found with APoc: 11
This union binding pocket(no: 1) in the query (biounit: 4n82.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2FCR FMN 4.04624
2 6GAQ FMN 9.09091
3 6GAQ FMN 9.09091
4 6GAQ FMN 9.09091
5 6GAQ FMN 9.09091
6 2WC1 FMN 11.7978
7 6FSG FMN 18.3673
8 5LJI FMN 34.4595
9 5LJI FMN 34.4595
10 6OHK FMN 37.0588
11 1RLJ FMN 45.3237
Pocket No.: 2; Query (leader) PDB : 4N82; Ligand: FMN; Similar sites found with APoc: 10
This union binding pocket(no: 2) in the query (biounit: 4n82.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 2FCR FMN 4.04624
2 6GAQ FMN 9.09091
3 6GAQ FMN 9.09091
4 6GAQ FMN 9.09091
5 6GAQ FMN 9.09091
6 2WC1 FMN 11.7978
7 5LJI FMN 34.4595
8 5LJI FMN 34.4595
9 6OHK FMN 37.0588
10 1RLJ FMN 45.3237
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