Receptor
PDB id Resolution Class Description Source Keywords
3UER 2.1 Å EC: 2.4.1.4 CRYSTAL STRUCTURE OF AMYLOSUCRASE FROM DEINOCOCCUS GEOTHERMA COMPLEX WITH TURANOSE DEINOCOCCUS GEOTHERMALIS ALPHA/BETA-BARREL CARBOHYDRATE TRANSFERASE GLUCOSYLTRANSFGLYCOSIDE HYDROLASE THERMOSTABILITY AMYLOSE SYNTHESIS SUISOMERIZATION
Ref.: STRUCTURAL INVESTIGATION OF THE THERMOSTABILITY AND SPECIFICITY OF AMYLOSUCRASE FROM THE BACTERIUM DEIN GEOTHERMALIS. J.BIOL.CHEM. V. 287 6642 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GLC Z9N B:1;
Valid;
none;
submit data
n/a n/a
GLC FRU C:1;
Valid;
none;
submit data
340.281 n/a O=CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UER 2.1 Å EC: 2.4.1.4 CRYSTAL STRUCTURE OF AMYLOSUCRASE FROM DEINOCOCCUS GEOTHERMA COMPLEX WITH TURANOSE DEINOCOCCUS GEOTHERMALIS ALPHA/BETA-BARREL CARBOHYDRATE TRANSFERASE GLUCOSYLTRANSFGLYCOSIDE HYDROLASE THERMOSTABILITY AMYLOSE SYNTHESIS SUISOMERIZATION
Ref.: STRUCTURAL INVESTIGATION OF THE THERMOSTABILITY AND SPECIFICITY OF AMYLOSUCRASE FROM THE BACTERIUM DEIN GEOTHERMALIS. J.BIOL.CHEM. V. 287 6642 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3UER - GLC FRU n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3UER - GLC FRU n/a n/a
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1MW3 - GLC FRU n/a n/a
2 1MW2 - GLC FRU n/a n/a
3 1MVY - GLC GLC GLC GLC n/a n/a
4 4FLS - GLC FRU n/a n/a
5 1MW0 - GLC GLC GLC GLC GLC GLC GLC n/a n/a
6 1JGI - GLC FRU n/a n/a
7 1ZS2 - GLC GLC GLC GLC n/a n/a
8 1JG9 - GLC C6 H12 O6 C([C@@H]1[....
9 3UEQ - FRU GLC n/a n/a
10 1MW1 - GLC FRU n/a n/a
11 5N7J - GLC FRU n/a n/a
12 3CZG - GLC C6 H12 O6 C([C@@H]1[....
13 3CZL - GLC C6 H12 O6 C([C@@H]1[....
14 3UER - GLC FRU n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC Z9N; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Ligand no: 2; Ligand: GLC FRU; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC FRU 1 1
2 GLC FRU GLA 0.761905 0.972973
3 FRU GLC GLA 0.5 0.921053
4 GLC FRU GLA GLA GLA 0.492958 0.921053
5 GLC FRU GLA GLA 0.492958 0.921053
6 GLC FRU FRU FRU 0.492958 0.921053
7 ZEE UEA FRU FRU FRU 0.492958 0.921053
8 GLC FRU FRU 0.457143 0.921053
9 ARA TT7 4GL 0.445783 0.744681
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC Z9N; Similar ligands found: 17
No: Ligand Similarity coefficient
1 GLC Z9N 1.0000
2 GLC FRU 0.9697
3 FRU GLC 0.9477
4 RZM 0.9357
5 NOJ GLC 0.9135
6 GLC 7LQ 0.9059
7 GLC IFM 0.9056
8 GLC DMJ 0.9045
9 BDF GLC 0.9031
10 DGO Z61 0.9011
11 TW7 GLC 0.8900
12 GDQ GLC 0.8889
13 MAN IFM 0.8847
14 7D1 MAN 0.8835
15 XYP GCU 0.8670
16 GLF B8D 0.8653
17 MYG 0.8603
Ligand no: 2; Ligand: GLC FRU; Similar ligands found: 23
No: Ligand Similarity coefficient
1 GLC Z9N 0.9697
2 MAN MAN 0.9233
3 FRU FRU 0.9109
4 MMA MAN 0.9053
5 RRY RRJ 0.9023
6 BDF GLC 0.9009
7 FRU GLC 0.8988
8 TW7 GLC 0.8931
9 GLC GLC 0.8902
10 GLA GLC 0.8842
11 ADA AQA 0.8838
12 GLC IFM 0.8831
13 4UO 0.8776
14 GLC 7LQ 0.8767
15 GAL GLA 0.8744
16 ADA ADA 0.8733
17 GLC DMJ 0.8705
18 B1T 0.8679
19 9E3 0.8670
20 GLA GLA 0.8647
21 RR7 GLC 0.8636
22 4P8 0.8619
23 CQW 0.8506
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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