Receptor
PDB id Resolution Class Description Source Keywords
4MOP 2.3 Å EC: 1.1.3.10 PYRANOSE 2-OXIDASE V546C MUTANT WITH 3-FLUORINATED GALACTOSE TRAMETES OCHRACEA GMC OXIDOREDUCTASE PHBH FOLD HOMOTETRAMER FAD-BINDING SUCOMPLEX FLAVINYLATION INTRACELLULAR OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR BINDING OF FLUORINATED GLUCOSE GALACTOSE TO TRAMETES MULTICOLOR PYRANOSE 2-OXIDASE WITH IMPROVED GALACTOSE CONVERSION. PLOS ONE V. 9 86736 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
12P B:803;
B:804;
A:803;
D:803;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
546.646 C24 H50 O13 C(COC...
2H5 C:703;
D:802;
B:802;
A:802;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
182.147 C6 H11 F O5 C([C@...
FDA B:801;
D:801;
C:702;
A:801;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
787.566 C27 H35 N9 O15 P2 Cc1cc...
MES C:701;
A:804;
Invalid;
Invalid;
none;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4MOP 2.3 Å EC: 1.1.3.10 PYRANOSE 2-OXIDASE V546C MUTANT WITH 3-FLUORINATED GALACTOSE TRAMETES OCHRACEA GMC OXIDOREDUCTASE PHBH FOLD HOMOTETRAMER FAD-BINDING SUCOMPLEX FLAVINYLATION INTRACELLULAR OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR BINDING OF FLUORINATED GLUCOSE GALACTOSE TO TRAMETES MULTICOLOR PYRANOSE 2-OXIDASE WITH IMPROVED GALACTOSE CONVERSION. PLOS ONE V. 9 86736 2014
Members (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4MOK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3K4L - SHG C6 H11 F O5 C([C@@H]1[....
3 4MOL - 2FG C6 H11 F O5 C([C@@H]1[....
4 2IGO - SHG C6 H11 F O5 C([C@@H]1[....
5 4MOS - 2FG C6 H11 F O5 C([C@@H]1[....
6 4MOJ - G2F C6 H11 F O5 C([C@@H]1[....
7 4MOR - 2H5 C6 H11 F O5 C([C@@H]1[....
8 4MOI - G3F C6 H11 F O5 C([C@@H]1[....
9 3LSI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 4MOQ - 2FG C6 H11 F O5 C([C@@H]1[....
11 4MOH - SHG C6 H11 F O5 C([C@@H]1[....
12 3LSH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 4MOP - 2H5 C6 H11 F O5 C([C@@H]1[....
14 2F5V - KBG C6 H10 O6 C([C@@H]1[....
15 4MOG - G3F C6 H11 F O5 C([C@@H]1[....
16 3K4M - SHG C6 H11 F O5 C([C@@H]1[....
17 4MOO - GAF C6 H11 F O5 C([C@@H]1[....
18 2IGN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 4MOF - G2F C6 H11 F O5 C([C@@H]1[....
20 3PL8 - G3F C6 H11 F O5 C([C@@H]1[....
21 3K4C - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 4MOE - G3F C6 H11 F O5 C([C@@H]1[....
23 3LSM - GLC C6 H12 O6 C([C@@H]1[....
24 4MOM - 2H5 C6 H11 F O5 C([C@@H]1[....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 4MOK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3K4L - SHG C6 H11 F O5 C([C@@H]1[....
3 4MOL - 2FG C6 H11 F O5 C([C@@H]1[....
4 2IGO - SHG C6 H11 F O5 C([C@@H]1[....
5 4MOS - 2FG C6 H11 F O5 C([C@@H]1[....
6 4MOJ - G2F C6 H11 F O5 C([C@@H]1[....
7 4MOR - 2H5 C6 H11 F O5 C([C@@H]1[....
8 4MOI - G3F C6 H11 F O5 C([C@@H]1[....
9 3LSI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 4MOQ - 2FG C6 H11 F O5 C([C@@H]1[....
11 4MOH - SHG C6 H11 F O5 C([C@@H]1[....
12 3LSH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 4MOP - 2H5 C6 H11 F O5 C([C@@H]1[....
14 2F5V - KBG C6 H10 O6 C([C@@H]1[....
15 4MOG - G3F C6 H11 F O5 C([C@@H]1[....
16 3K4M - SHG C6 H11 F O5 C([C@@H]1[....
17 4MOO - GAF C6 H11 F O5 C([C@@H]1[....
18 2IGN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 4MOF - G2F C6 H11 F O5 C([C@@H]1[....
20 3PL8 - G3F C6 H11 F O5 C([C@@H]1[....
21 3K4C - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 4MOE - G3F C6 H11 F O5 C([C@@H]1[....
23 3LSM - GLC C6 H12 O6 C([C@@H]1[....
24 4MOM - 2H5 C6 H11 F O5 C([C@@H]1[....
50% Homology Family (26)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4MOK - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
2 3K4L - SHG C6 H11 F O5 C([C@@H]1[....
3 4MOL - 2FG C6 H11 F O5 C([C@@H]1[....
4 2IGO - SHG C6 H11 F O5 C([C@@H]1[....
5 4MOS - 2FG C6 H11 F O5 C([C@@H]1[....
6 4MOJ - G2F C6 H11 F O5 C([C@@H]1[....
7 4MOR - 2H5 C6 H11 F O5 C([C@@H]1[....
8 4MOI - G3F C6 H11 F O5 C([C@@H]1[....
9 3LSI - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
10 4MOQ - 2FG C6 H11 F O5 C([C@@H]1[....
11 4MOH - SHG C6 H11 F O5 C([C@@H]1[....
12 3LSH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
13 4MOP - 2H5 C6 H11 F O5 C([C@@H]1[....
14 2F5V - KBG C6 H10 O6 C([C@@H]1[....
15 4MOG - G3F C6 H11 F O5 C([C@@H]1[....
16 3K4M - SHG C6 H11 F O5 C([C@@H]1[....
17 4MOO - GAF C6 H11 F O5 C([C@@H]1[....
18 2IGN - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
19 4MOF - G2F C6 H11 F O5 C([C@@H]1[....
20 3PL8 - G3F C6 H11 F O5 C([C@@H]1[....
21 3K4C - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
22 4MOE - G3F C6 H11 F O5 C([C@@H]1[....
23 3LSM - GLC C6 H12 O6 C([C@@H]1[....
24 4MOM - 2H5 C6 H11 F O5 C([C@@H]1[....
25 4MIG - G3F C6 H11 F O5 C([C@@H]1[....
26 4MIH - FAD C27 H33 N9 O15 P2 Cc1cc2c(cc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2H5; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 G3F 1 1
2 2H5 1 1
3 Z6J 0.483871 0.764706
4 RIB 0.483871 0.764706
5 FUB 0.483871 0.764706
6 AHR 0.483871 0.764706
7 32O 0.483871 0.764706
8 2FG 0.459459 1
9 GAF 0.459459 1
10 G2F 0.459459 1
11 SHG 0.459459 1
12 GIV 0.457143 0.875
13 GLA 0.457143 0.875
14 GLC 0.457143 0.875
15 BGC 0.457143 0.875
16 BMA 0.457143 0.875
17 GXL 0.457143 0.875
18 ALL 0.457143 0.875
19 GAL 0.457143 0.875
20 WOO 0.457143 0.875
21 MAN 0.457143 0.875
22 3MG 0.410256 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4MOP; Ligand: 2H5; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 4mop.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
1 3ICS ADP 2.04082
2 3ICT ADP 2.04082
3 2CDU ADP 5.0885
Pocket No.: 2; Query (leader) PDB : 4MOP; Ligand: 2H5; 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: 4mop.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4MOP; Ligand: 2H5; 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: 4mop.bio1) has 52 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4MOP; Ligand: 2H5; 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: 4mop.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback