-->
Receptor
PDB id Resolution Class Description Source Keywords
1JDC 1.9 Å EC: 3.2.1.60 MUTANT (E219Q) MALTOTETRAOSE-FORMING EXO-AMYLASE COCRYSTALLIZED WITH MALTOTETRAOSE (CRYSTAL TYPE 1) PSEUDOMONAS STUTZERI HYDROLASE MALTOTETRAOSE-FORMING EXO AMYLASE
Ref.: CRYSTAL STRUCTURES OF A MUTANT MALTOTETRAOSE-FORMING EXO-AMYLASE COCRYSTALLIZED WITH MALTOPENTAOSE. J.MOL.BIOL. V. 271 619 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:451;
A:452;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC GLC GLC GLC A:460;
Valid;
none;
submit data
648.564 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1JDC 1.9 Å EC: 3.2.1.60 MUTANT (E219Q) MALTOTETRAOSE-FORMING EXO-AMYLASE COCRYSTALLIZED WITH MALTOTETRAOSE (CRYSTAL TYPE 1) PSEUDOMONAS STUTZERI HYDROLASE MALTOTETRAOSE-FORMING EXO AMYLASE
Ref.: CRYSTAL STRUCTURES OF A MUTANT MALTOTETRAOSE-FORMING EXO-AMYLASE COCRYSTALLIZED WITH MALTOPENTAOSE. J.MOL.BIOL. V. 271 619 1997
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QI4 - MTT C24 H42 O21 C([C@@H]1[....
2 1JDC - GLC GLC GLC GLC n/a n/a
3 1QPK - MTT C24 H42 O21 C([C@@H]1[....
4 1QI3 - MTT C24 H42 O21 C([C@@H]1[....
5 1JDD - GLC GLC GLC GLC n/a n/a
6 1QI5 - MTT C24 H42 O21 C([C@@H]1[....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QI4 - MTT C24 H42 O21 C([C@@H]1[....
2 1JDC - GLC GLC GLC GLC n/a n/a
3 1QPK - MTT C24 H42 O21 C([C@@H]1[....
4 1QI3 - MTT C24 H42 O21 C([C@@H]1[....
5 1JDD - GLC GLC GLC GLC n/a n/a
6 1QI5 - MTT C24 H42 O21 C([C@@H]1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1QI4 - MTT C24 H42 O21 C([C@@H]1[....
2 1JDC - GLC GLC GLC GLC n/a n/a
3 1QPK - MTT C24 H42 O21 C([C@@H]1[....
4 1QI3 - MTT C24 H42 O21 C([C@@H]1[....
5 1JDD - GLC GLC GLC GLC n/a n/a
6 1QI5 - MTT C24 H42 O21 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC GLC; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC 1 1
2 RCD 0.510638 0.939394
3 BCD 0.510638 0.939394
4 GLC GLC GLC GLC GLC GLC 0.510638 0.939394
5 GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
6 GLC GLC GLC GLC GLC GLC GLC GLC 0.510638 0.939394
7 ACX 0.510638 0.939394
8 4PW 0.5 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1JDC; Ligand: GLC GLC GLC GLC; Similar sites found with APoc: 72
This union binding pocket(no: 1) in the query (biounit: 1jdc.bio1) has 23 residues
No: Leader PDB Ligand Sequence Similarity
1 2IMG MLT None
2 3CZG GLC 2.0979
3 3H5N ATP 2.26629
4 4S3R 7SA 2.331
5 1GJW MAL 2.5641
6 3RGQ 5P5 2.5641
7 6BYF CIT 2.94118
8 3AXI GLC 3.0303
9 4U31 MVP 3.2634
10 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 3.4965
11 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 3.4965
12 1PIG AGL GLC HMC AGL GLC BGC 3.7296
13 2ZID GLC GLC GLC 3.7296
14 2GDV BGC 4.16667
15 5ZCE MTT 4.1958
16 5BRP PNG 4.1958
17 3V0H I3P 4.42478
18 3UER TUR 4.4289
19 3UER BTU 4.4289
20 3AJ4 SEP 4.46429
21 3WY2 BGC 4.662
22 3F81 STT 4.91803
23 5A7V MAN 5.15464
24 6BS6 GLC GLC GLC GLC GLC GLC GLC 5.36131
25 1JG9 GLC 5.36131
26 6BS6 GLC GLC GLC GLC 5.36131
27 3KLL MAL 5.36131
28 2AOT 2PM 5.47945
29 5CGM MAL 6.06061
30 1D1Q 4NP 6.21118
31 4FUS CBI 6.52681
32 2FHF GLC GLC GLC GLC 6.75991
33 4TVD BGC 6.75991
34 1O9W NAG 6.77966
35 3KO0 TFP 6.93069
36 3LN9 FLC 7.19424
37 5DO8 BGC 7.22611
38 2OG2 MLI 7.92541
39 4JX1 CAH 7.9646
40 5WCZ NOJ 8.39161
41 1UH4 GLC GLC GLC 8.62471
42 3EDF ACX 8.85781
43 3EDF CE6 8.85781
44 1ESW ACR 8.85781
45 6A0J GLC GLC GLC GLC 9.12951
46 5JBE GLC GLC GLC GLC GLC 9.55711
47 1VB9 GLC GLC GLC GLC GLC GLC 12.1212
48 2PWG CTS 12.1212
49 2GJP BGC GLC DAF GLC GLC GLC DAF 13.2867
50 4HPH SUC 13.7529
51 2D3N GLC GLC GLC GLC GLC GLC 13.986
52 2D3N GLC GLC GLC GLC 13.986
53 2D3N GLC 13.986
54 3GBE NOJ 14.2191
55 4WOH 4NP 15.6627
56 4OIT MAN 15.9292
57 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 17.4825
58 4W93 3L9 20.2797
59 1G94 DAF GLC DAF GLC GLC 23.5431
60 4E2O ACI G6D GLC ACI G6D BGC 27.0396
61 1J0I GLC GLC GLC 27.2727
62 1LWJ ACG 27.5058
63 5A2B MAL 29.8368
64 1UKQ GLC ACI G6D GLC 29.8368
65 8CGT TM6 30.0699
66 2CXG GLC G6D ACI GLC 31.0023
67 2CXG GLC GLC 31.0023
68 1QHO ABD 31.2354
69 3BMW GLC GLC G6D ACI GLC GLC GLC 31.7016
70 1UA7 ACI GLD GLC ACI G6D BGC 36.7299
71 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 36.8298
72 3VM7 GLC 37.9953
APoc FAQ
Feedback