Receptor
PDB id Resolution Class Description Source Keywords
1FCB 2.4 Å EC: 1.1.2.3 MOLECULAR STRUCTURE OF FLAVOCYTOCHROME B2 AT 2.4 ANGSTROMS R SACCHAROMYCES CEREVISIAE OXIDOREDUCTASE (CH-OH(D)-CYTOCHROME(A))
Ref.: MOLECULAR STRUCTURE OF FLAVOCYTOCHROME B2 AT 2.4 A RESOLUTION. J.MOL.BIOL. V. 212 837 1990
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMN A:570;
B:570;
Valid;
Valid;
none;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
HEM A:560;
Part of Protein;
none;
submit data
616.487 C34 H32 Fe N4 O4 Cc1c2...
PYR B:580;
Valid;
none;
submit data
88.062 C3 H4 O3 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1KBI 2.3 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 FLAVOCYTOCHROME B2 ELECTRON TRANSFER 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 (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1KBI - PYR C3 H4 O3 CC(=O)C(=O....
2 1FCB - PYR C3 H4 O3 CC(=O)C(=O....
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
Ligand no: 2; Ligand: PYR; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 PYR 1 1
2 ACY 0.636364 0.636364
3 OXD 0.545455 0.642857
4 F50 0.428571 0.6
5 2KT 0.411765 0.733333
6 AAE 0.411765 0.625
7 KIV 0.411765 0.785714
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1KBI; Ligand: PYR; 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: 1kbi.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1KBI; Ligand: PYR; 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: 1kbi.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1KBI; 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: 1kbi.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1KBI; 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: 1kbi.bio1) has 28 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 1KBI; 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: 5) in the query (biounit: 1kbi.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1KBI; 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: 6) in the query (biounit: 1kbi.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
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