Receptor
PDB id Resolution Class Description Source Keywords
1w9x 2.1 Å EC: 3.2.1.1 BACILLUS HALMAPALUS ALPHA AMYLASE BACILLUS HALMAPALUS HYDROLASE AMYLASE ACARBOSE BACILLUS GLYCOSIDE HYDROLASE
Ref.: STRUCTURE OF A BACILLUS HALMAPALUS FAMILY 13 ALPHA-BHA, IN COMPLEX WITH AN ACARBOSE-DERIVED NONASACCHA 2.1 A RESOLUTION ACTA CRYSTALLOGR.,SECT.D V. 61 190 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BGC GLC AC1 GLC GLC GLC AC1 B:1;
 Valid;
 none;
 submit data
1441.39 n/a O(C1C...
CA A:1486;
A:1487;
A:1488;
 Part of Protein;
Part of Protein;
Part of Protein;
 none;
none;
none;
 submit data
40.078 Ca [Ca+2...
NA A:1489;
 Part of Protein;
 none;
 submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GJP 1.9 Å EC: 3.2.1.1 STRUCTURE OF BACILLUS HALMAPALUS ALPHA-AMYLASE, CRYSTALLIZED SUBSTRATE ANALOGUE ACARBOSE AND MALTOSE BACILLUS HALMAPALUS ALPHA-AMYLASE MALTOSE BINDING SITE BACILLUS HALMAPALUS HY
Ref.: STRUCTURE OF BACILLUS HALMAPALUS ALPHA-AMYLASE CRYS WITH AND WITHOUT THE SUBSTRATE ANALOGUE ACARBOSE AN MALTOSE. ACTA CRYSTALLOGR.,SECT.F V. 62 849 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 19 families.
1 2GJP - GLC C6 H12 O6 C([C@@H]1[....
2 1W9X - BGC GLC AC1 GLC GLC GLC AC1 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: BGC GLC AC1 GLC GLC GLC AC1; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC GLC AC1 GLC GLC GLC AC1 1 1
2 GLC GLC GLC DAF DAF 1 1
3 BGC G6D GLC ACI G6D ACI 1 1
4 GAL GLC GLD ACI 0.896104 0.957447
5 GLC GLC GLC G6D ACI GLC GLC 0.855422 0.957447
6 BGC DAF 0.831169 0.957447
7 GLC BGC G6D ACI 0.807229 0.957447
8 BGC GLC DAF GLC GLC GLC DAF 0.714286 0.921569
9 BGC GLC AC1 GLC AC1 0.714286 0.921569
10 BGC GLC AGL GLC GLC GLC 0.56383 0.86
11 GLC GLC GLC GLC GLC GLC AC1 0.530612 0.843137
12 GLC GLC GLC AC1 0.530612 0.843137
13 TXT 0.515464 0.914894
14 GLC GLC AGL HMC GLC 0.504762 0.843137
15 GLC GLC AC1 GLC GLC GLC 0.504762 0.843137
16 GLC GLC G6D GLC ACI GLC 0.504762 0.843137
17 BGC GLC GLD GLC ACI GLD GLC ACI G6D 0.504762 0.862745
18 GLC GLC AC1 0.488372 0.893617
19 GLC GLC G6D GLC ACI G6D ACI 0.485981 0.882353
20 GLC AC1 GLC AC1 0.485981 0.882353
21 GLC GLC GLD GLC ACI GLD GLC ACI GLD ACI 0.485981 0.882353
22 BGC GLC AGL GLC HMC AGL 0.481481 0.862745
23 GLC GLC G6D ACI 0.466667 0.843137
24 GLC GLC GLC GLC BGC GLC GLC 0.457831 0.702128
25 MAN BMA BMA BMA BMA BMA BMA 0.457831 0.702128
26 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.457831 0.702128
27 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.454545 0.723404
28 BGC BGC BGC BGC BGC BGC BGC BGC 0.444444 0.702128
29 BGC GAL FUC 0.419355 0.723404
30 GLC GAL BGC FUC 0.419355 0.723404
31 BMA BMA BMA BMA 0.413043 0.666667
32 BGC GLC AC1 0.412281 0.843137
33 BGC GAL GLA 0.4 0.702128
34 BGC GAL FUC GLA 0.4 0.723404
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC GLC AC1 GLC GLC GLC AC1; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GAL GLC GLD GLC ACI GLC GLC GLD ACI 0.9761
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GJP; Ligand: GLC GLC; 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: 2gjp.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2GJP; Ligand: GLC; 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: 2gjp.bio1) has 3 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2GJP; Ligand: GLC; 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: 2gjp.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2GJP; Ligand: BGC GLC DAF GLC GLC GLC DAF; Similar sites found with APoc: 1
This union binding pocket(no: 4) in the query (biounit: 2gjp.bio1) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 4TVD BGC 8.65979
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