Receptor
PDB id Resolution Class Description Source Keywords
1KBJ 2.5 Å EC: 1.1.2.3 CRYSTALLOGRAPHIC STUDY OF THE RECOMBINANT FLAVIN-BINDING DOM BAKER'S YEAST FLAVOCYTOCHROME B2: COMPARISON WITH THE INTACT YPE ENZYME SACCHAROMYCES CEREVISIAE FLAVIN-BINDING DOMAIN OF FLAVOCYTOCHROME B2 OXIDOREDUCTASE
Ref.: CRYSTALLOGRAPHIC STUDY OF THE RECOMBINANT FLAVIN-BI DOMAIN OF BAKER'S YEAST FLAVOCYTOCHROME B(2): COMPA WITH THE INTACT WILD-TYPE ENZYME. BIOCHEMISTRY V. 41 4264 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:600;
B:700;
Invalid;
Invalid;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
FMN A:570;
B:670;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KBJ 2.5 Å EC: 1.1.2.3 CRYSTALLOGRAPHIC STUDY OF THE RECOMBINANT FLAVIN-BINDING DOM BAKER'S YEAST FLAVOCYTOCHROME B2: COMPARISON WITH THE INTACT YPE ENZYME SACCHAROMYCES CEREVISIAE FLAVIN-BINDING DOMAIN OF FLAVOCYTOCHROME B2 OXIDOREDUCTASE
Ref.: CRYSTALLOGRAPHIC STUDY OF THE RECOMBINANT FLAVIN-BI DOMAIN OF BAKER'S YEAST FLAVOCYTOCHROME B(2): COMPA WITH THE INTACT WILD-TYPE ENZYME. BIOCHEMISTRY V. 41 4264 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KBJ - 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 1 families.
1 1KBI - PYR C3 H4 O3 CC(=O)C(=O....
2 1FCB - PYR C3 H4 O3 CC(=O)C(=O....
3 1KBJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1AL8 Ki = 4.8 uM DHP C14 H23 N O3 CCCCCCCCCC....
2 1GOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 3SGZ - HO6 C10 H8 N2 O2 S2 Cc1ccc(cc1....
4 1TB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 1P5B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 2A7N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 1HUV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 2A85 - HOC C8 H16 O3 CCCCCC[C@@....
9 3GIY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 1P4C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 2A7P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 1KBI - PYR C3 H4 O3 CC(=O)C(=O....
13 1FCB - PYR C3 H4 O3 CC(=O)C(=O....
14 6BFG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 2RDW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
16 2RDT Ki ~ 15 nM 2RD C15 H27 N3 O2 S CCCCCCCCCC....
17 2RDU - GLV C2 H2 O3 C(=O)C(=O)....
18 2J6X - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 4YL2 - PYR C3 H4 O3 CC(=O)C(=O....
20 2DU2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 2E77 - PYR C3 H4 O3 CC(=O)C(=O....
22 2ZFA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
23 4RJE - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
24 2NLI - LAC C3 H6 O3 C[C@H](C(=....
25 1KBJ - 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 : 1KBJ; Ligand: FMN; Similar sites found with APoc: 1
This union binding pocket(no: 1) in the query (biounit: 1kbj.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 6DVH FMN 44.1624
Pocket No.: 2; Query (leader) PDB : 1KBJ; 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: 1kbj.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1KBJ; 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: 3) in the query (biounit: 1kbj.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1KBJ; 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: 4) in the query (biounit: 1kbj.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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