Receptor
PDB id Resolution Class Description Source Keywords
1E3Z 1.93 Å EC: 3.2.1.1 ACARBOSE COMPLEX OF CHIMAERIC AMYLASE FROM B. AMYLOLIQUEFACI LICHENIFORMIS AT 1.93A BACILLUS AMYLOLIQUEFACIENS HYDROLASE AMYLASE FAMILY 13 ACARBOSE COMPLEX
Ref.: STRUCTURAL ANALYSIS OF A CHIMERIC BACTERIAL ALPHA-A HIGH RESOLUTION ANALYSIS OF NATIVE AND LIGAND COMPL BIOCHEMISTRY V. 39 9099 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:501;
A:502;
A:503;
A:504;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
NA A:505;
Part of Protein;
none;
submit data
22.99 Na [Na+]
GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI D:1;
Valid;
none;
submit data
1579.54 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1E3Z 1.93 Å EC: 3.2.1.1 ACARBOSE COMPLEX OF CHIMAERIC AMYLASE FROM B. AMYLOLIQUEFACI LICHENIFORMIS AT 1.93A BACILLUS AMYLOLIQUEFACIENS HYDROLASE AMYLASE FAMILY 13 ACARBOSE COMPLEX
Ref.: STRUCTURAL ANALYSIS OF A CHIMERIC BACTERIAL ALPHA-A HIGH RESOLUTION ANALYSIS OF NATIVE AND LIGAND COMPL BIOCHEMISTRY V. 39 9099 2000
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 1E3Z - GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI n/a n/a
2 1E40 - GLC GLC GLC n/a n/a
70% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 15 families.
1 6TOZ - GLC GLC AC1 n/a n/a
2 6TOY - MLI C3 H2 O4 C(C(=O)[O-....
3 6TP0 - MLI C3 H2 O4 C(C(=O)[O-....
4 6TP2 - MLI C3 H2 O4 C(C(=O)[O-....
5 6TP1 - MLI C3 H2 O4 C(C(=O)[O-....
6 2GJP - GLC C6 H12 O6 C([C@@H]1[....
7 1W9X - BGC GLC AC1 GLC GLC GLC AC1 n/a n/a
8 6GXV - GLC GLC n/a n/a
9 1E3Z - GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI n/a n/a
10 1E40 - GLC GLC GLC n/a n/a
11 2D3N - GLC C6 H12 O6 C([C@@H]1[....
12 2D3L - GLC C6 H12 O6 C([C@@H]1[....
13 1WPC - GLC GLC n/a n/a
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 12 families.
1 6TOZ - GLC GLC AC1 n/a n/a
2 6TOY - MLI C3 H2 O4 C(C(=O)[O-....
3 6TP0 - MLI C3 H2 O4 C(C(=O)[O-....
4 6TP2 - MLI C3 H2 O4 C(C(=O)[O-....
5 6TP1 - MLI C3 H2 O4 C(C(=O)[O-....
6 2GJP - GLC C6 H12 O6 C([C@@H]1[....
7 1W9X - BGC GLC AC1 GLC GLC GLC AC1 n/a n/a
8 6GXV - GLC GLC n/a n/a
9 1E3Z - GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI n/a n/a
10 1E40 - GLC GLC GLC n/a n/a
11 2D3N - GLC C6 H12 O6 C([C@@H]1[....
12 2D3L - GLC C6 H12 O6 C([C@@H]1[....
13 1WPC - GLC GLC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI; Similar ligands found: 38
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI 1 1
2 GLC GLC G6D GLC ACI G6D ACI 1 1
3 GLC AC1 GLC AC1 1 1
4 GLC GLC GLC GLC GLC GLC AC1 0.890244 0.959184
5 GLC GLC GLC AC1 0.890244 0.959184
6 GLC GLC G6D GLC ACI GLC 0.831461 0.959184
7 GLC GLC AC1 GLC GLC GLC 0.831461 0.959184
8 GLC GLC AGL HMC GLC 0.831461 0.959184
9 BGC GLC GLD GLC ACI GLD GLC ACI G6D 0.831461 0.979592
10 BGC GLC AGL GLC HMC AGL 0.813187 0.979592
11 GLC GLC G6D ACI 0.786517 0.959184
12 BGC GLC DAF GLC GLC GLC DAF 0.73 0.960784
13 BGC GLC AC1 GLC AC1 0.73 0.960784
14 BGC GLC AC1 0.676768 0.959184
15 7SA 0.571429 0.959184
16 GAL GLC GLD ACI 0.525253 0.843137
17 BGC GLC AGL GLC GLC GLC 0.52 0.826923
18 ARE 0.495413 0.918367
19 AAO 0.495413 0.918367
20 ACG 0.490909 0.918367
21 GLC GLC GLC G6D ACI GLC GLC 0.485981 0.843137
22 BGC GLC AC1 GLC GLC GLC AC1 0.485981 0.882353
23 BGC G6D GLC ACI G6D ACI 0.485981 0.882353
24 GLC GLC GLC DAF DAF 0.485981 0.882353
25 GLC AC1 0.477273 0.857143
26 BGC DAF 0.474747 0.843137
27 GLC GLC AGL HMC 0.463636 0.862745
28 GLC GLC AC1 0.461538 0.857143
29 GLC BGC G6D ACI 0.448598 0.843137
30 ABC 0.435897 0.918367
31 QV4 0.432432 0.918367
32 GLC AGL HMC 0.428571 0.862745
33 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.41573 0.673469
34 MAN BMA BMA BMA BMA BMA BMA 0.41573 0.673469
35 GLC GLC GLC GLC BGC GLC GLC 0.41573 0.673469
36 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.414894 0.66
37 GLC GLC G6D ADH GLC GLC 0.41 0.938776
38 6SA 0.403226 0.918367
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1E3Z; Ligand: GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI; 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: 1e3z.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
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