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Receptor
PDB id Resolution Class Description Source Keywords
2ZID 2.2 Å EC: 3.2.1.70 CRYSTAL STRUCTURE OF DEXTRAN GLUCOSIDASE E236Q COMPLEX WITH ISOMALTOTRIOSE STREPTOCOCCUS MUTANS TIM BARREL (BETA/ALPHA)8-BARREL HYDROLASE
Ref.: SUBSTRATE RECOGNITION MECHANISM OF ALPHA-1,6-GLUCOSIDIC LINKAGE HYDROLYZING ENZYME, DEXTRAN GLUCOSIDASE FROM STREPTOCOCCUS MUTANS. J.MOL.BIOL. V. 378 911 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:880;
A:881;
A:882;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC GLC GLC A:877;
Valid;
none;
submit data
504.438 n/a O(CC1...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2ZID 2.2 Å EC: 3.2.1.70 CRYSTAL STRUCTURE OF DEXTRAN GLUCOSIDASE E236Q COMPLEX WITH ISOMALTOTRIOSE STREPTOCOCCUS MUTANS TIM BARREL (BETA/ALPHA)8-BARREL HYDROLASE
Ref.: SUBSTRATE RECOGNITION MECHANISM OF ALPHA-1,6-GLUCOSIDIC LINKAGE HYDROLYZING ENZYME, DEXTRAN GLUCOSIDASE FROM STREPTOCOCCUS MUTANS. J.MOL.BIOL. V. 378 911 2008
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZID - GLC GLC GLC n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2ZID - GLC GLC GLC n/a n/a
50% Homology Family (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5ZCE - MTT C24 H42 O21 C([C@@H]1[....
2 5ZCC - MAL C12 H22 O11 C([C@@H]1[....
3 5ZCD - MLR C18 H32 O16 C([C@@H]1[....
4 4GI6 - GLC C6 H12 O6 C([C@@H]1[....
5 2PWD Ki = 40 uM NOJ C6 H13 N O4 C1[C@@H]([....
6 2PWG Ki = 15 uM CTS C8 H15 N O4 C1C[N@]2C[....
7 2PWF - BGC C6 H12 O6 C([C@@H]1[....
8 2PWE - SUC C12 H22 O11 C([C@@H]1[....
9 5BRP - PNG C12 H15 N O8 c1cc(ccc1[....
10 5WCZ - NOJ C6 H13 N O4 C1[C@@H]([....
11 4M56 - GLO C6 H12 O6 C([C@H]([C....
12 3GBE Ki = 10 uM NOJ C6 H13 N O4 C1[C@@H]([....
13 3AXH - GLC GLC n/a n/a
14 3AXI - GLC C6 H12 O6 C([C@@H]1[....
15 3A4A - GLC C6 H12 O6 C([C@@H]1[....
16 3WY1 - PRU C12 H18 O8 C[C@H](C[C....
17 3WY2 - BGC C6 H12 O6 C([C@@H]1[....
18 3WY4 - MAL C12 H22 O11 C([C@@H]1[....
19 4HOZ - GLC C6 H12 O6 C([C@@H]1[....
20 4HPH - SUC C12 H22 O11 C([C@@H]1[....
21 2ZID - GLC GLC GLC n/a n/a
22 5DO8 - BGC C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC GLC GLC; Similar ligands found: 170
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN MAN 1 1
2 BMA MAN MAN 1 1
3 GLC GLC GLC 1 1
4 GLC GLC GLC GLC BGC 1 1
5 GLC GLC GLC GLC GLC BGC 1 1
6 MAN BMA 0.953488 1
7 BMA MAN 0.953488 1
8 BMA GLA 0.953488 1
9 GLA GLC 0.953488 1
10 LAK 0.953488 1
11 GLA BGC 0.953488 1
12 MLB 0.953488 1
13 GAL GAL 0.953488 1
14 MAN MAN 0.953488 1
15 GLC BGC 0.953488 1
16 BGC GLA 0.953488 1
17 GLA BMA 0.953488 1
18 GLC GLC 0.953488 1
19 GAL GLC 0.953488 1
20 BGC GLC 0.953488 1
21 FUB AHR AHR 0.744681 0.857143
22 AHR AHR AHR AHR AHR AHR 0.744681 0.857143
23 MAN MAN BMA MAN 0.736842 1
24 MAN MAN MAN MAN 0.736842 1
25 AHR AHR 0.717391 0.857143
26 FUB AHR 0.717391 0.857143
27 MAN MMA 0.666667 0.942857
28 MAN BMA MAN 0.649123 1
29 GLC GLC GLC BGC 0.639344 1
30 M5S 0.612903 1
31 MAN BMA MAN MAN MAN 0.612903 1
32 MAN MAN MAN BMA MAN 0.58209 1
33 MAN MAN MAN MAN MAN MAN MAN 0.56338 1
34 STW 0.538462 0.891892
35 BMA BMA GLA BMA BMA 0.530303 1
36 MAN MMA MAN 0.52381 0.942857
37 RAF 0.523077 0.891892
38 MAN MAN MAN BMA MAN MAN MAN 0.506494 0.942857
39 NGB 0.492754 0.622642
40 BGC 0.488889 0.848485
41 GXL 0.488889 0.848485
42 GLC 0.488889 0.848485
43 GIV 0.488889 0.848485
44 MAN 0.488889 0.848485
45 BMA 0.488889 0.848485
46 WOO 0.488889 0.848485
47 GLA 0.488889 0.848485
48 GAL 0.488889 0.848485
49 ALL 0.488889 0.848485
50 AHR AHR AHR 0.483333 0.805556
51 SUC GLA 0.478873 0.891892
52 BMA MAN MAN MAN MAN 0.471429 1
53 4CQ 0.46875 0.970588
54 WZ2 0.463768 0.868421
55 NAG MAN MAN 0.459459 0.733333
56 B2G 0.45614 1
57 CBI 0.45614 1
58 LAT 0.45614 1
59 GLA GAL 0.45614 1
60 MAL 0.45614 1
61 GLA GLA 0.45614 1
62 BGC BMA 0.45614 1
63 GLC GAL 0.45614 1
64 BMA GAL 0.45614 1
65 BGC GAL 0.45614 1
66 MAB 0.45614 1
67 GAL BGC 0.45614 1
68 N9S 0.45614 1
69 CBK 0.45614 1
70 LBT 0.45614 1
71 RGG 0.454545 0.882353
72 NOJ BGC 0.451613 0.695652
73 DMJ MAN 0.451613 0.695652
74 WZ3 0.450704 0.916667
75 DEG 0.446429 0.769231
76 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.445783 0.6875
77 1GN ACY GAL ACY 1GN BGC GAL BGC 0.445783 0.6875
78 IFM MAN 0.444444 0.711111
79 EMZ 0.44 0.783784
80 M6P 0.433962 0.674419
81 M6D 0.433962 0.674419
82 BGP 0.433962 0.674419
83 G6P 0.433962 0.674419
84 BG6 0.433962 0.674419
85 A6P 0.433962 0.674419
86 DGD 0.433735 0.733333
87 GAL GAL SO4 0.432836 0.66
88 EBQ 0.431034 0.789474
89 MAN GLC 0.431034 1
90 M3M 0.431034 1
91 EBG 0.431034 0.837838
92 LB2 0.431034 1
93 NGR 0.431034 1
94 BGC BGC XYS BGC 0.426667 0.942857
95 BMA MAN BMA 0.42623 1
96 CTR 0.42623 1
97 CE5 0.42623 1
98 GLC BGC BGC BGC BGC 0.42623 1
99 MT7 0.42623 1
100 BMA BMA BMA 0.42623 1
101 MAN MAN BMA BMA BMA BMA 0.42623 1
102 BMA BMA BMA BMA BMA 0.42623 1
103 MTT 0.42623 1
104 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.42623 1
105 BGC BGC BGC BGC BGC 0.42623 1
106 MLR 0.42623 1
107 BGC GLC GLC 0.42623 1
108 BGC GLC GLC GLC GLC GLC GLC 0.42623 1
109 MAN BMA BMA BMA BMA 0.42623 1
110 GLA GAL BGC 0.42623 1
111 CE6 0.42623 1
112 MAN BMA BMA 0.42623 1
113 DXI 0.42623 1
114 GLC BGC BGC BGC 0.42623 1
115 CE8 0.42623 1
116 BGC GLC GLC GLC GLC 0.42623 1
117 GLC BGC BGC 0.42623 1
118 B4G 0.42623 1
119 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
120 MAN BMA BMA BMA BMA BMA 0.42623 1
121 CEY 0.42623 1
122 GLA GAL GLC 0.42623 1
123 BGC BGC BGC BGC BGC BGC 0.42623 1
124 CT3 0.42623 1
125 BGC GLC GLC GLC 0.42623 1
126 GLC GLC BGC 0.42623 1
127 GLC BGC BGC BGC BGC BGC 0.42623 1
128 GLC BGC GLC 0.42623 1
129 BGC BGC GLC 0.42623 1
130 CEX 0.42623 1
131 BGC BGC BGC 0.42623 1
132 GAL GAL GAL 0.42623 1
133 BGC BGC BGC BGC 0.42623 1
134 GLC GLC GLC GLC GLC 0.42623 1
135 BGC BGC BGC GLC 0.42623 1
136 GLC GAL GAL 0.42623 1
137 CTT 0.42623 1
138 BMA BMA BMA BMA BMA BMA 0.42623 1
139 BMA Z4Y NAG 0.425 0.717391
140 BHG 0.423729 0.714286
141 GLC HEX 0.423729 0.714286
142 JZR 0.423729 0.714286
143 TRE 0.42 1
144 WZ5 0.418605 0.702128
145 KGM 0.416667 0.738095
146 B7G 0.416667 0.738095
147 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.41573 0.733333
148 2M4 0.413793 1
149 MMA 0.411765 0.857143
150 GYP 0.411765 0.857143
151 AMG 0.411765 0.857143
152 MBG 0.411765 0.857143
153 BGC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
154 GLC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
155 BGC BGC XYS BGC XYS BGC XYS 0.410256 0.942857
156 BNG 0.409836 0.738095
157 BOG 0.409836 0.738095
158 HSJ 0.409836 0.738095
159 XGP 0.407407 0.697674
160 G1P 0.407407 0.697674
161 GL1 0.407407 0.697674
162 M1P 0.407407 0.697674
163 6SA 0.40625 0.733333
164 NAG BMA MAN MAN MAN MAN MAN 0.405063 0.868421
165 SER MAN 0.403226 0.72093
166 GAL FUC 0.403226 0.941176
167 XYT 0.402985 0.767442
168 GAL BGC NAG GAL 0.402597 0.733333
169 BQZ 0.4 0.909091
170 GAL BGC BGC XYS 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2ZID; Ligand: GLC GLC GLC; Similar sites found with APoc: 61
This union binding pocket(no: 1) in the query (biounit: 2zid.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2FHF GLC GLC GLC GLC 2.02578
2 5DNU KKN 2.18182
3 5KF6 FAD 2.20994
4 5KF6 TFB 2.20994
5 4JJJ CBK 2.20994
6 6GN6 GLC 2.39411
7 4S3R 7SA 2.94659
8 3VSV XYP 2.94659
9 5CKS GAL 3.7037
10 1JDC GLC GLC GLC GLC 3.7296
11 3N9O OGA 3.78788
12 3N9Q OGA 3.78788
13 4UDK NDG 4.03458
14 4H6Q TFB 4.80769
15 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 5.52486
16 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 5.52486
17 1ESW ACR 5.6
18 3KLL MAL 5.89319
19 4BWL MN9 5.92105
20 5JBE GLC GLC GLC GLC GLC 6.07735
21 2GGX NPJ 7.5
22 5A5W GUO 7.50988
23 2GJP BGC GLC DAF GLC GLC GLC DAF 7.83505
24 2D3N GLC 8.04124
25 2D3N GLC GLC GLC GLC 8.04124
26 2D3N GLC GLC GLC GLC GLC GLC 8.04124
27 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 8.90269
28 4TVD BGC 9.2081
29 5GP0 GPP 10.0671
30 4W93 3L9 10.0806
31 2GDV BGC 10.119
32 1PIG AGL GLC HMC AGL GLC BGC 10.2823
33 1GJW MAL 10.3131
34 5TPV TYD 11.1111
35 1QFT HSM 11.4286
36 1UA7 ACI GLD GLC ACI G6D BGC 13.5071
37 6BS6 GLC GLC GLC GLC GLC GLC GLC 14.3646
38 6BS6 GLC GLC GLC GLC 14.3646
39 4U31 MVP 14.733
40 3BMW GLC GLC G6D ACI GLC GLC GLC 15.4696
41 5CGM MAL 15.6538
42 3CZG GLC 15.8379
43 8CGT TM6 15.8379
44 1G94 DAF GLC DAF GLC GLC 16.9643
45 1JG9 GLC 17.8637
46 3UER TUR 19.8895
47 3UER BTU 19.8895
48 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 23.7569
49 1QHO ABD 26.7035
50 1UH4 GLC GLC GLC 26.8877
51 3EDF ACX 27.4401
52 3EDF CE6 27.4401
53 1UKQ GLC ACI G6D GLC 28.9134
54 2CXG GLC G6D ACI GLC 29.0976
55 5A2B MAL 29.9799
56 3VM7 GLC 30.4878
57 1J0I GLC GLC GLC 30.9392
58 4E2O ACI G6D GLC ACI G6D BGC 31.7181
59 6A0J GLC GLC GLC GLC 32.6964
60 1VB9 GLC GLC GLC GLC GLC GLC 35.7274
61 1LWJ ACG 39.0424
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