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 1443 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 1205 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 1039 families.
1 5LJI Kd = 83 nM 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 : 5LJI; Ligand: FMN; Similar sites found with APoc: 3
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 3F6R FMN 43.2432
3 4HEQ FMN 49.3151
Pocket No.: 2; Query (leader) PDB : 5LJI; 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: 5lji.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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