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Receptor
PDB id Resolution Class Description Source Keywords
3LIH 2.2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF FRUCTOSYLTRANSFERASE (D191A) FROM A. JA COMPLEX WITH RAFFINOSE ASPERGILLUS JAPONICUS PROTEIN-OLIGOSACCHARIDE COMPLEX FIVE BLADED BETA-PROPELLER HYDROLASE
Ref.: CRYSTAL STRUCTURES OF ASPERGILLUS JAPONICUS FRUCTOSYLTRANSFERASE COMPLEX WITH DONOR/ACCEPTOR SU REVEAL COMPLETE SUBSITES IN THE ACTIVE SITE FOR CAT J.BIOL.CHEM. V. 285 23251 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
RAF A:654;
Valid;
none;
submit data
504.437 C18 H32 O16 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3LIH 2.2 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF FRUCTOSYLTRANSFERASE (D191A) FROM A. JA COMPLEX WITH RAFFINOSE ASPERGILLUS JAPONICUS PROTEIN-OLIGOSACCHARIDE COMPLEX FIVE BLADED BETA-PROPELLER HYDROLASE
Ref.: CRYSTAL STRUCTURES OF ASPERGILLUS JAPONICUS FRUCTOSYLTRANSFERASE COMPLEX WITH DONOR/ACCEPTOR SU REVEAL COMPLETE SUBSITES IN THE ACTIVE SITE FOR CAT J.BIOL.CHEM. V. 285 23251 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 269 families.
1 3LIH - RAF C18 H32 O16 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 237 families.
1 5XHA - FRU C6 H12 O6 C([C@@H]1[....
2 3LIH - RAF C18 H32 O16 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 5XHA - FRU C6 H12 O6 C([C@@H]1[....
2 3LIH - RAF C18 H32 O16 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: RAF; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 RAF 1 1
2 STW 0.982456 1
3 SUC 0.736842 0.972973
4 SWE 0.736842 0.972973
5 SUC GLA 0.710145 0.947368
6 SUP 0.594203 0.782609
7 MAN MMA 0.53125 0.846154
8 20S 0.52439 0.782609
9 GLC GLC GLC 0.523077 0.891892
10 GLC GLC GLC GLC BGC 0.523077 0.891892
11 BMA MAN MAN 0.523077 0.891892
12 MAN MAN MAN 0.523077 0.891892
13 GLC GLC GLC GLC GLC BGC 0.523077 0.891892
14 DQR 0.521127 0.947368
15 BGC GLA 0.515625 0.891892
16 GLA GLC 0.515625 0.891892
17 GLA BMA 0.515625 0.891892
18 BMA GLA 0.515625 0.891892
19 GLC GLC 0.515625 0.891892
20 MAN MAN 0.515625 0.891892
21 GLC BGC 0.515625 0.891892
22 MLB 0.515625 0.891892
23 MAN BMA 0.515625 0.891892
24 GAL GLC 0.515625 0.891892
25 BGC GLC 0.515625 0.891892
26 GAL GAL 0.515625 0.891892
27 LAK 0.515625 0.891892
28 GLA BGC 0.515625 0.891892
29 BMA MAN 0.515625 0.891892
30 NYT 0.486842 0.947368
31 FNY 0.486842 0.947368
32 GLC GLC GLC BGC 0.448718 0.891892
33 FUB AHR AHR 0.439394 0.864865
34 AHR AHR AHR AHR AHR AHR 0.439394 0.864865
35 AHR AHR 0.4375 0.864865
36 FUB AHR 0.4375 0.864865
37 MAN BMA MAN 0.426667 0.891892
38 MAN MAN BMA MAN 0.417722 0.891892
39 MAN MAN MAN MAN 0.417722 0.891892
40 MAN MMA MAN 0.415584 0.846154
41 WZ2 0.407407 0.785714
42 AGR 0.4 0.804348
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3LIH; Ligand: RAF; 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: 3lih.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3LIH; Ligand: RAF; 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: 3lih.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3LIH; Ligand: RAF; Similar sites found with APoc: 19
This union binding pocket(no: 3) in the query (biounit: 3lih.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4TVD GLC 1.26183
2 5JOX EDG 1.55039
3 6F1J EDG 1.84615
4 4N2R AHR 2.69461
5 4N2R FUB 2.69461
6 3VSS FRU 3.62903
7 2YFT DQR 3.94322
8 1PT2 SUC 4.69799
9 2ADD SUC 4.73186
10 2NNQ T4B 6.10687
11 3L5R 47X 7.37705
12 5GLN XYS 9.30233
13 5GLN XYP XYP XYP 9.30233
14 1W2T SUC GLA 11.1111
15 4MZU TYD 12.1795
16 3PIJ FRU 13.4981
17 3KF3 FRU 14.5383
18 1Y9G FRU 15.9306
19 5FMD NYT 49.8423
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