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-AMYLASE, BHA, IN COMPLEX WITH AN ACARBOSE-DERIVED NONASACCHARIDE AT 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 A:1490;
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 14 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 (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GJP - GLC C6 H12 O6 C([C@@H]1[....
2 1W9X - BGC GLC AC1 GLC GLC GLC AC1 n/a n/a
3 1E3Z - ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC n/a n/a
4 1E40 - GLC GLC GLC n/a n/a
5 2D3N - GLC C6 H12 O6 C([C@@H]1[....
6 2D3L - GLC C6 H12 O6 C([C@@H]1[....
7 1WPC - GLC GLC n/a n/a
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2GJP - GLC C6 H12 O6 C([C@@H]1[....
2 1W9X - BGC GLC AC1 GLC GLC GLC AC1 n/a n/a
3 1E3Z - ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC n/a n/a
4 1E40 - GLC GLC GLC n/a n/a
5 2D3N - GLC C6 H12 O6 C([C@@H]1[....
6 2D3L - GLC C6 H12 O6 C([C@@H]1[....
7 1WPC - GLC GLC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC GLC AC1 GLC GLC GLC AC1; Similar ligands found: 102
No: Ligand ECFP6 Tc MDL keys Tc
1 ACI GLD GLC ACI G6D BGC 1 1
2 ACI G6D GLC ACI G6D BGC 1 1
3 AC1 GLC AC1 BGC 1 1
4 BGC GLC AC1 GLC GLC GLC AC1 1 1
5 ACI GLD GLC GLC GLC ACI GLD GLC GAL 1 1
6 DAF GLC DAF GLC GLC 1 1
7 ACI GLD GLC GAL 0.896104 0.957447
8 DAF BGC GLC 0.896104 0.957447
9 DAF GLC GLC 0.896104 0.957447
10 GLC GLC G6D ACI GLC GLC GLC 0.855422 0.957447
11 DAF BGC 0.831169 0.957447
12 DAF GLC 0.831169 0.957447
13 GLC ACI GLD GLC 0.807229 0.957447
14 GLC G6D ACI GLC 0.807229 0.957447
15 GLC G6D ADH GLC 0.807229 0.957447
16 GLC ACI G6D BGC 0.807229 0.957447
17 BGC GLC DAF GLC GLC GLC DAF 0.714286 0.921569
18 ACR GLC 0.530612 0.843137
19 ACR GLC GLC GLC GLC 0.530612 0.843137
20 GAC 0.515464 0.914894
21 TXT 0.515464 0.914894
22 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.504762 0.862745
23 GLC GLC AGL HMC GLC 0.504762 0.843137
24 GLC GLC ACI G6D GLC GLC 0.504762 0.843137
25 ACR GLC GLC GLC 0.504762 0.843137
26 GLC GLC DAF BGC 0.504762 0.843137
27 HSD G6D GLC HSD G6D GLC BGC 0.485981 0.882353
28 HSD G6D GLC HSD G6D GLC GLC 0.485981 0.882353
29 ACI G6D GLC ACI G6D GLC GLC 0.485981 0.882353
30 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.485981 0.882353
31 AGL GLC HMC AGL GLC BGC 0.481481 0.862745
32 GLC ACI G6D GLC 0.466667 0.843137
33 GLC ACI GLD GAL 0.466667 0.843137
34 BGC GLC GLC 0.457831 0.702128
35 GLC BGC BGC 0.457831 0.702128
36 MAN MAN BMA BMA BMA BMA 0.457831 0.702128
37 MAN BMA BMA BMA BMA BMA 0.457831 0.702128
38 GLC BGC BGC BGC BGC 0.457831 0.702128
39 CT3 0.457831 0.702128
40 GLA GAL BGC 0.457831 0.702128
41 BGC GLC GLC GLC 0.457831 0.702128
42 BGC BGC BGC 0.457831 0.702128
43 BMA BMA BMA BMA BMA BMA 0.457831 0.702128
44 GLC GLC BGC 0.457831 0.702128
45 CEY 0.457831 0.702128
46 BMA MAN BMA 0.457831 0.702128
47 BGC BGC BGC BGC BGC BGC 0.457831 0.702128
48 BGC BGC BGC BGC BGC 0.457831 0.702128
49 CTT 0.457831 0.702128
50 B4G 0.457831 0.702128
51 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.457831 0.702128
52 GLA GAL GLC 0.457831 0.702128
53 MT7 0.457831 0.702128
54 BGC BGC GLC 0.457831 0.702128
55 GLC GAL GAL 0.457831 0.702128
56 CEX 0.457831 0.702128
57 GLC GLC GLC GLC GLC 0.457831 0.702128
58 DXI 0.457831 0.702128
59 CE8 0.457831 0.702128
60 GLC BGC GLC 0.457831 0.702128
61 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.457831 0.702128
62 CE5 0.457831 0.702128
63 BGC GLC GLC GLC GLC 0.457831 0.702128
64 GAL GAL GAL 0.457831 0.702128
65 GLC BGC BGC BGC BGC BGC 0.457831 0.702128
66 BGC GLC GLC GLC GLC GLC GLC 0.457831 0.702128
67 CE6 0.457831 0.702128
68 MTT 0.457831 0.702128
69 BMA BMA BMA 0.457831 0.702128
70 MLR 0.457831 0.702128
71 MAN BMA BMA 0.457831 0.702128
72 BGC BGC BGC BGC 0.457831 0.702128
73 BGC BGC BGC GLC 0.457831 0.702128
74 CTR 0.457831 0.702128
75 MAN BMA BMA BMA BMA 0.457831 0.702128
76 BMA BMA BMA BMA BMA 0.457831 0.702128
77 GLC BGC BGC BGC 0.457831 0.702128
78 BGC BGC BGC BGC BGC BGC BGC BGC 0.444444 0.702128
79 GLC GAL FUC 0.419355 0.723404
80 FUC GAL GLC 0.419355 0.723404
81 8B7 0.419355 0.723404
82 BGC GAL FUC 0.419355 0.723404
83 LAT FUC 0.419355 0.723404
84 ABD 0.417476 0.82
85 BMA BMA BMA BMA 0.413043 0.666667
86 N9S 0.409639 0.702128
87 LBT 0.409639 0.702128
88 MAL 0.409639 0.702128
89 GAL BGC 0.409639 0.702128
90 GLA GAL 0.409639 0.702128
91 GLC GAL 0.409639 0.702128
92 BGC BMA 0.409639 0.702128
93 GLA GLA 0.409639 0.702128
94 BGC GAL 0.409639 0.702128
95 BMA GAL 0.409639 0.702128
96 CBI 0.409639 0.702128
97 LAT 0.409639 0.702128
98 CBK 0.409639 0.702128
99 MAB 0.409639 0.702128
100 B2G 0.409639 0.702128
101 GLA GAL GAL 0.4 0.702128
102 BGC GLA GAL FUC 0.4 0.723404
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GJP; Ligand: MAL; 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: BGC GLC DAF GLC GLC GLC DAF; Similar sites found with APoc: 1
This union binding pocket(no: 3) in the query (biounit: 2gjp.bio1) has 57 residues
No: Leader PDB Ligand Sequence Similarity
1 4TVD BGC 8.65979
Pocket No.: 4; 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: 4) in the query (biounit: 2gjp.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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