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Receptor
PDB id Resolution Class Description Source Keywords
1E3Z 1.93 Å EC: 3.2.1.1 ACARBOSE COMPLEX OF CHIMAERIC AMYLASE FROM B. AMYLOLIQUEFACIENS AND B. LICHENIFORMIS AT 1.93A BACILLUS AMYLOLIQUEFACIENS HYDROLASE AMYLASE FAMILY 13 ACARBOSE COMPLEX
Ref.: STRUCTURAL ANALYSIS OF A CHIMERIC BACTERIAL ALPHA-AMYLASE. HIGH RESOLUTION ANALYSIS OF NATIVE AND LIGAND COMPLEXES BIOCHEMISTRY V. 39 9099 2000
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC A:801;
Valid;
none;
submit data
1579.54 n/a O(C1C...
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+]
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. AMYLOLIQUEFACIENS AND B. LICHENIFORMIS AT 1.93A BACILLUS AMYLOLIQUEFACIENS HYDROLASE AMYLASE FAMILY 13 ACARBOSE COMPLEX
Ref.: STRUCTURAL ANALYSIS OF A CHIMERIC BACTERIAL ALPHA-AMYLASE. HIGH RESOLUTION ANALYSIS OF NATIVE AND LIGAND COMPLEXES 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 14 families.
1 1E3Z - ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC n/a n/a
2 1E40 - GLC GLC GLC 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: ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC; Similar ligands found: 87
No: Ligand ECFP6 Tc MDL keys Tc
1 HSD G6D GLC HSD G6D GLC GLC 1 1
2 HSD G6D GLC HSD G6D GLC BGC 1 1
3 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 1 1
4 ACI G6D GLC ACI G6D GLC GLC 1 1
5 ACR GLC GLC GLC GLC 0.890244 0.959184
6 ACR GLC 0.890244 0.959184
7 ACR GLC GLC GLC 0.831461 0.959184
8 GLC GLC ACI G6D GLC GLC 0.831461 0.959184
9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.831461 0.979592
10 GLC GLC AGL HMC GLC 0.831461 0.959184
11 GLC GLC DAF BGC 0.831461 0.959184
12 AGL GLC HMC AGL GLC BGC 0.813187 0.979592
13 GLC ACI G6D GLC 0.786517 0.959184
14 GLC ACI GLD GAL 0.786517 0.959184
15 BGC GLC DAF GLC GLC GLC DAF 0.73 0.960784
16 7SA 0.571429 0.959184
17 QPS 0.534653 0.918367
18 ACR 0.534653 0.918367
19 DAF GLC GLC 0.525253 0.843137
20 ACI GLD GLC GAL 0.525253 0.843137
21 DAF BGC GLC 0.525253 0.843137
22 AAO 0.495413 0.918367
23 ARE 0.495413 0.918367
24 ACG 0.490909 0.918367
25 AC1 GLC AC1 BGC 0.485981 0.882353
26 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.485981 0.882353
27 DAF GLC DAF GLC GLC 0.485981 0.882353
28 BGC GLC AC1 GLC GLC GLC AC1 0.485981 0.882353
29 GLC GLC G6D ACI GLC GLC GLC 0.485981 0.843137
30 ACI G6D GLC ACI G6D BGC 0.485981 0.882353
31 ACI GLD GLC ACI G6D BGC 0.485981 0.882353
32 3SA 0.485149 0.918367
33 DAF GLC 0.474747 0.843137
34 DAF BGC 0.474747 0.843137
35 GLC G6D ACI GLC 0.448598 0.843137
36 GLC ACI G6D BGC 0.448598 0.843137
37 GLC G6D ADH GLC 0.448598 0.843137
38 GLC ACI GLD GLC 0.448598 0.843137
39 ABC 0.435897 0.918367
40 QV4 0.432432 0.918367
41 HMC AGL GLC 0.428571 0.862745
42 BGC BGC BGC BGC BGC BGC 0.41573 0.673469
43 BGC GLC GLC GLC 0.41573 0.673469
44 GLC GLC BGC 0.41573 0.673469
45 CTT 0.41573 0.673469
46 MAN BMA BMA BMA BMA BMA 0.41573 0.673469
47 BGC BGC BGC BGC BGC 0.41573 0.673469
48 MT7 0.41573 0.673469
49 CEY 0.41573 0.673469
50 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.41573 0.673469
51 BMA MAN BMA 0.41573 0.673469
52 B4G 0.41573 0.673469
53 GLC BGC BGC 0.41573 0.673469
54 GLA GAL GLC 0.41573 0.673469
55 CT3 0.41573 0.673469
56 GLA GAL BGC 0.41573 0.673469
57 CE6 0.41573 0.673469
58 BMA BMA BMA BMA BMA BMA 0.41573 0.673469
59 CEX 0.41573 0.673469
60 GLC GLC GLC GLC GLC 0.41573 0.673469
61 DXI 0.41573 0.673469
62 MTT 0.41573 0.673469
63 GLC BGC GLC 0.41573 0.673469
64 CE5 0.41573 0.673469
65 BGC BGC BGC BGC 0.41573 0.673469
66 GAL GAL GAL 0.41573 0.673469
67 CE8 0.41573 0.673469
68 BGC GLC GLC GLC GLC 0.41573 0.673469
69 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.41573 0.673469
70 CTR 0.41573 0.673469
71 BMA BMA BMA 0.41573 0.673469
72 GLC GAL GAL 0.41573 0.673469
73 GLC BGC BGC BGC BGC BGC 0.41573 0.673469
74 BGC GLC GLC 0.41573 0.673469
75 MAN MAN BMA BMA BMA BMA 0.41573 0.673469
76 GLC BGC BGC BGC BGC 0.41573 0.673469
77 BGC BGC GLC 0.41573 0.673469
78 BGC BGC BGC 0.41573 0.673469
79 BGC GLC GLC GLC GLC GLC GLC 0.41573 0.673469
80 MLR 0.41573 0.673469
81 MAN BMA BMA 0.41573 0.673469
82 BGC BGC BGC GLC 0.41573 0.673469
83 GLC BGC BGC BGC 0.41573 0.673469
84 MAN BMA BMA BMA BMA 0.41573 0.673469
85 BMA BMA BMA BMA BMA 0.41573 0.673469
86 IAB 0.40678 0.918367
87 6SA 0.403226 0.918367
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1E3Z; Ligand: ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC; Similar sites found with APoc: 48
This union binding pocket(no: 1) in the query (biounit: 1e3z.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1GJW MAL 2.07039
2 4UHL VFV 2.24215
3 3HAV SRY 2.34114
4 4M51 BEZ 3.0445
5 3W9F I3P 3.07692
6 3CZG GLC 3.10559
7 3KYG 5GP 5GP 3.96476
8 5NC9 8SZ 4.04858
9 5CGM MAL 4.14079
10 2GDV BGC 4.14079
11 2FHF GLC GLC GLC GLC 4.14079
12 5N1P 8GK 4.85437
13 2DVZ GLU 5.41401
14 1ESW ACR 5.59006
15 2WW2 SWA 5.7971
16 3MBC NAP 5.7971
17 3AXI GLC 8.07453
18 1C3M MAN MAN 8.16327
19 5WCZ NOJ 8.48861
20 3GBE NOJ 8.90269
21 2ZID GLC GLC GLC 8.90269
22 6BS6 GLC GLC GLC GLC GLC GLC GLC 8.90269
23 6BS6 GLC GLC GLC GLC 8.90269
24 2W92 NGT 9.10973
25 2PWG CTS 9.31677
26 4HPH SUC 9.31677
27 5JBE GLC GLC GLC GLC GLC 10.559
28 3UER TUR 13.5878
29 3UER BTU 13.5878
30 1VB9 GLC GLC GLC GLC GLC GLC 13.8716
31 3EDF ACX 14.0787
32 3EDF CE6 14.0787
33 3WY2 BGC 15.735
34 1JDC GLC GLC GLC GLC 17.4825
35 5BRP PNG 19.2547
36 5ZCE MTT 19.4617
37 5DO8 BGC 19.6687
38 3KLL MAL 22.5673
39 4TVD BGC 23.6025
40 3VM7 GLC 26.7081
41 1QHO ABD 29.1925
42 1J0I GLC GLC GLC 29.1925
43 6A0J GLC GLC GLC GLC 29.9363
44 1LWJ ACG 34.6939
45 8CGT TM6 35.8178
46 3BMW GLC GLC G6D ACI GLC GLC GLC 37.2671
47 1UKQ GLC ACI G6D GLC 37.6812
48 2CXG GLC G6D ACI GLC 40.9938
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