Receptor
PDB id Resolution Class Description Source Keywords
5CPS 1.8 Å EC: 2.4.1.25 DISPROPORTIONATING ENZYME 1 FROM ARABIDOPSIS - MALTOTRIOSE S ARABIDOPSIS THALIANA DISPROPORTIONATING ENZYME 1 4-ALPHA-GLUCANOTRANSFERASE GLYHYDROLASE FAMILY 77 STARCH DEGRADATION TRANSFERASE
Ref.: STRUCTURAL DISSECTION OF THE MALTODEXTRIN DISPROPOR CYCLE OF THE ARABIDOPSIS PLASTIDIAL DISPROPORTIONAT ENZYME 1 (DPE1). J.BIOL.CHEM. V. 290 29834 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:712;
B:614;
B:611;
B:613;
A:710;
A:717;
A:715;
B:610;
B:615;
B:616;
B:609;
A:711;
B:612;
A:714;
A:713;
A:716;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
GLC GLC GLC GLC GLC GLC GLC GLC GLC C:1;
Valid;
none;
submit data
1477.28 n/a O(CC1...
GLC GLC GLC GLC GLC GLC GLC GLC D:1;
Valid;
none;
submit data
1297.13 n/a OCC1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5CPS 1.8 Å EC: 2.4.1.25 DISPROPORTIONATING ENZYME 1 FROM ARABIDOPSIS - MALTOTRIOSE S ARABIDOPSIS THALIANA DISPROPORTIONATING ENZYME 1 4-ALPHA-GLUCANOTRANSFERASE GLYHYDROLASE FAMILY 77 STARCH DEGRADATION TRANSFERASE
Ref.: STRUCTURAL DISSECTION OF THE MALTODEXTRIN DISPROPOR CYCLE OF THE ARABIDOPSIS PLASTIDIAL DISPROPORTIONAT ENZYME 1 (DPE1). J.BIOL.CHEM. V. 290 29834 2015
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 6 families.
1 5CPS - GLC GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 5CSY - BGC GLC GLC n/a n/a
3 5CQ1 - GLC C6 H12 O6 C([C@@H]1[....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5CPS - GLC GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 5CSY - BGC GLC GLC n/a n/a
3 5CQ1 - GLC C6 H12 O6 C([C@@H]1[....
4 6LX2 - G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 5CPS - GLC GLC GLC GLC GLC GLC GLC GLC GLC n/a n/a
2 5CSY - BGC GLC GLC n/a n/a
3 5CQ1 - GLC C6 H12 O6 C([C@@H]1[....
4 6LX2 - G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 131
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC GLC GLC GLC 1 1
2 BMA BMA BMA BMA GLA 0.933333 1
3 GLC GLC GLC GLC GLC 0.769231 1
4 BGC GLC GLC GLC 0.769231 1
5 MAN BMA BMA BMA BMA BMA BMA 0.758621 1
6 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.758621 1
7 GLC GLC GLC GLC BGC GLC GLC 0.758621 1
8 BGC BGC BGC XYS BGC XYS BGC XYS BGC 0.726027 0.942857
9 BGC BGC BGC BGC BGC XYS 0.726027 0.942857
10 BGC BGC BGC BGC XYS BGC XYS BGC BGC 0.726027 0.942857
11 BGC GLC GLC 0.707692 1
12 BGC BGC BGC XYS BGC XYS 0.69863 0.942857
13 BGC BGC BGC BGC BGC BGC BGC BGC 0.656716 1
14 NAG GAL BGC GAL 0.64 0.733333
15 BGC BGC BGC XYS XYS GAL GAL 0.6375 0.942857
16 BGC BGC BGC XYS BGC XYS XYS 0.623377 0.942857
17 BGC BGC BGC XYS BGC XYS GAL 0.621951 0.942857
18 BMA BMA BMA BMA GLA BMA GLA 0.607595 0.916667
19 BGC GAL GLA 0.597015 1
20 BGC BGC BGC XYS BGC XYS XYS GAL 0.593023 0.942857
21 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.593023 0.942857
22 BGC GLA GAL 0.590164 1
23 BGC 5VQ GAL GLA 0.588235 0.891892
24 BGC BGC BGC XYS 0.584416 0.942857
25 BGC BGC XYS GAL 0.578947 0.942857
26 GLC EDO GLC 0.575758 0.942857
27 G2F SHG BGC BGC 0.565217 0.891892
28 BGC GAL NGA GAL 0.564103 0.733333
29 GLC NBU GAL GLA 0.56338 0.846154
30 BGC BGC XYS BGC XYS XYS GAL 0.551724 0.942857
31 MAN BMA BMA 0.542857 0.942857
32 BMA BMA BMA BMA 0.541667 0.941176
33 BMA MAN MAN 0.535211 1
34 GLC GLC AC1 0.535211 0.744186
35 BGC GAL NGA 0.532468 0.733333
36 BGC GLC AGL GLC GLC GLC 0.52381 0.717391
37 BGC GAL GLA NGA GAL 0.52381 0.733333
38 MGL GAL 0.515152 0.942857
39 G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D G4D 0.513889 0.970588
40 LMT 0.506667 0.785714
41 LMU 0.506667 0.785714
42 DMU 0.506667 0.785714
43 UMQ 0.506667 0.785714
44 BGC BGC XYS XYS GAL 0.505747 0.942857
45 6SA 0.5 0.733333
46 G2F BGC BGC BGC BGC BGC 0.5 0.868421
47 BGC GAL GLA NGA 0.494118 0.733333
48 6UZ 0.487179 0.846154
49 BGC GLC GLC GLC GLC 0.485294 1
50 BGC GLC GLC GLC GLC GLC 0.485294 1
51 BGC GAL NAG NAG GAL GAL 0.483871 0.6875
52 GLC GLC GLC G6D ACI GLC GLC 0.483516 0.733333
53 BGC BGC BGC BGC 0.481013 1
54 GLC GLC GLC 0.480519 0.942857
55 ARE 0.478723 0.733333
56 AAO 0.478723 0.733333
57 BGC BGC BGC XYS XYS GAL 0.477778 0.916667
58 BGC GAL NAG GAL 0.47619 0.733333
59 BGC GAL FUC GLA 0.47561 0.970588
60 GLC GLC XYS XYS 0.474359 0.914286
61 FRU BGC BGC BGC 0.473684 0.868421
62 BGC XGP 0.472222 0.785714
63 BGC BGC GLC BGC XYS BGC XYS XYS 0.46988 0.916667
64 GLC GAL BGC FUC 0.467532 0.970588
65 G3I 0.467532 0.767442
66 G2I 0.467532 0.767442
67 BGC OXZ BGC 0.467532 0.6875
68 BGC GAL FUC 0.467532 0.970588
69 GLC GLC FRU 0.463415 0.868421
70 GLC GLC G6D GLC ACI GLC 0.463158 0.702128
71 GLC GLC AC1 GLC GLC GLC 0.463158 0.702128
72 GLC GLC AGL HMC GLC 0.463158 0.702128
73 GAL GLA 0.462687 1
74 MAN MAN BMA 0.460526 0.942857
75 CM5 0.457831 0.891892
76 FUC GAL 0.457143 0.941176
77 XYS GLC GLC 0.455696 0.970588
78 GLC GAL EMB GAL MEC 0.452632 0.622642
79 MA4 0.452381 0.891892
80 MAN MAN MAN 0.451219 0.970588
81 LAG 0.45 0.6
82 LSE 0.45 0.6875
83 MAN MAN MAN MAN MAN MAN MAN 0.448276 1
84 AHR AHR AHR AHR 0.447761 0.857143
85 AHR AHR AHR AHR AHR AHR 0.447761 0.857143
86 AHR AHR AHR AHR AHR 0.447761 0.857143
87 AHR AHR 0.446154 0.857143
88 GPM GLC 0.445946 0.767442
89 GLC GLC G6D ADH GLC GLC 0.444444 0.717391
90 SOR GLC GLC 0.443038 0.970588
91 GLC GLC AGL HMC 0.442105 0.717391
92 MMA MAN MAN 0.441558 0.942857
93 NAG GAL 0.44 0.733333
94 GLC BGC G6D ACI 0.43956 0.733333
95 TXT 0.438202 0.767442
96 BQZ 0.4375 0.909091
97 QV4 0.43617 0.733333
98 BGC GAL NAG 0.435294 0.733333
99 BGC SGA 0.434211 0.66
100 GLC GLC GLC SGC PO4 GLC 0.431579 0.66
101 GLC BGC BGC BGC 0.430556 1
102 BGC BGC BGC 0.430556 1
103 BGC BGC BGC BGC BGC BGC BGC 0.430556 1
104 BGC Z9D 0.430556 0.970588
105 BGC BGC BGC BGC BGC 0.430556 1
106 BGC BGC BGC BGC BGC BGC 0.430556 1
107 NBG BGC BGC XYS BGC XYS XYS 0.430108 0.702128
108 RCB 0.428571 0.622642
109 GAL GLC GLD ACI 0.426966 0.733333
110 BGC FUC GAL 0.423077 0.970588
111 GLC BGC FUC GAL 0.423077 0.970588
112 NAG NAG MAN MAN MAN 0.42268 0.6875
113 BGC 4MU BGC BGC BGC 0.422222 0.767442
114 GLC GLC G6D ACI 0.421053 0.702128
115 BGC GLC AC1 0.42 0.702128
116 GLO GLC GLC GLC 0.418605 0.942857
117 GLC BGC BGC 0.414634 0.942857
118 GAL NAG GAL 0.411765 0.733333
119 BGC 4MU BGC 0.411111 0.767442
120 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.41 0.733333
121 10M 0.409639 0.733333
122 H1M MAN MAN 0.409639 0.868421
123 MAN BMA MAN MAN MAN MAN MAN 0.408602 0.942857
124 C4W NAG FUC BMA 0.408163 0.634615
125 BMA MAN NAG 0.406977 0.733333
126 NAG BMA MAN MAN MAN MAN 0.40625 0.733333
127 MBG GLA 0.405797 0.942857
128 GAL SO4 GAL 0.405063 0.66
129 NPJ 0.404762 0.622642
130 ACG 0.4 0.695652
131 MAN NAG GAL 0.4 0.733333
Ligand no: 2; Ligand: GLC GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC GLC GLC GLC 1 1
3 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
4 GLC GLC GLC GLC 0.510638 0.939394
Similar Ligands (3D)
Ligand no: 1; Ligand: GLC GLC GLC GLC GLC GLC GLC GLC GLC; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: GLC GLC GLC GLC GLC GLC GLC GLC; 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 : 5CPS; Ligand: GLC GLC GLC GLC GLC GLC GLC 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: 5cps.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5CPS; Ligand: GLC GLC GLC GLC GLC GLC 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: 2) in the query (biounit: 5cps.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback