Receptor
PDB id Resolution Class Description Source Keywords
5lji 2.07 Å NON-ENZYME: OTHER STREPTOCOCCUS PNEUMONIA TIGR4 FLAVODOXIN: STRUCTURAL AND BIO CHARACTERIZATION OF A NOVEL DRUG TARGET STREPTOCOCCUS PNEUMONIAE FLAVODOXIN PROTEIN STABILITY FMN BINDING DRUG TARGET STREPTOCOCCUS PNEUMONIAE OXIDOREDUCTASE
Ref.: STREPTOCOCCUS PNEUMONIAE TIGR4 FLAVODOXIN: STRUCTUR BIOPHYSICAL CHARACTERIZATION OF A NOVEL DRUG TARGET PLOS ONE V. 11 61020 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA C:202;
C:206;
C:204;
A:203;
C:205;
A:202;
C:203;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
FMN A:201;
C:201;
Valid;
Valid;
none;
none;
Kd = 83 nM
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5LJI 2.07 Å NON-ENZYME: OTHER STREPTOCOCCUS PNEUMONIA TIGR4 FLAVODOXIN: STRUCTURAL AND BIO CHARACTERIZATION OF A NOVEL DRUG TARGET STREPTOCOCCUS PNEUMONIAE FLAVODOXIN PROTEIN STABILITY FMN BINDING DRUG TARGET STREPTOCOCCUS PNEUMONIAE OXIDOREDUCTASE
Ref.: STREPTOCOCCUS PNEUMONIAE TIGR4 FLAVODOXIN: STRUCTUR BIOPHYSICAL CHARACTERIZATION OF A NOVEL DRUG TARGET PLOS ONE V. 11 61020 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 5LJI Kd = 83 nM 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 1331 families.
1 5LJI Kd = 83 nM 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 1144 families.
1 5LJI Kd = 83 nM 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 : 5LJI; Ligand: FMN; Similar sites found with APoc: 9
This union binding pocket(no: 1) in the query (biounit: 5lji.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4N82 FMN 34.4595
2 4N82 FMN 34.4595
3 3F6R FMN 43.2432
4 3F6R FMN 43.2432
5 3F6R FMN 43.2432
6 3F6R FMN 43.2432
7 6LI0 FMN 45.2703
8 4HEQ FMN 49.3151
9 4HEQ FMN 49.3151
Pocket No.: 2; Query (leader) PDB : 5LJI; Ligand: FMN; Similar sites found with APoc: 9
This union binding pocket(no: 2) in the query (biounit: 5lji.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4N82 FMN 34.4595
2 4N82 FMN 34.4595
3 3F6R FMN 43.2432
4 3F6R FMN 43.2432
5 3F6R FMN 43.2432
6 3F6R FMN 43.2432
7 6LI0 FMN 45.2703
8 4HEQ FMN 49.3151
9 4HEQ FMN 49.3151
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