Receptor
PDB id Resolution Class Description Source Keywords
2D3N 1.9 Å EC: 3.2.1.98 CRYSTAL STRUCTURE OF MALTOHEXAOSE-PRODUCING AMYLASE FROM BAC SP.707 COMPLEXED WITH MALTOHEXAOSE BACILLUS SP. PROTEIN-CARBOHYDRATE COMPLEX LIGAND BINDING MALTOHEXAOSE
Ref.: ROLE OF TRP140 AT SUBSITE -6 ON THE MALTOHEXAOSE PR OF MALTOHEXAOSE-PRODUCING AMYLASE FROM ALKALOPHILIC SP.707 PROTEIN SCI. V. 15 468 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:501;
A:502;
A:503;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC A:608;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC GLC A:611;
A:621;
Valid;
Valid;
none;
none;
submit data
358.296 n/a O1C(O...
GLC GLC GLC A:631;
A:641;
Valid;
Valid;
none;
none;
submit data
504.438 n/a O1C(O...
GLC GLC GLC GLC A:651;
Valid;
none;
submit data
666.579 n/a O(C1O...
GLC GLC GLC GLC GLC GLC A:601;
Valid;
none;
submit data
990.861 n/a O(C1O...
NA A:504;
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
2D3N 1.9 Å EC: 3.2.1.98 CRYSTAL STRUCTURE OF MALTOHEXAOSE-PRODUCING AMYLASE FROM BAC SP.707 COMPLEXED WITH MALTOHEXAOSE BACILLUS SP. PROTEIN-CARBOHYDRATE COMPLEX LIGAND BINDING MALTOHEXAOSE
Ref.: ROLE OF TRP140 AT SUBSITE -6 ON THE MALTOHEXAOSE PR OF MALTOHEXAOSE-PRODUCING AMYLASE FROM ALKALOPHILIC SP.707 PROTEIN SCI. V. 15 468 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2D3N - GLC C6 H12 O6 C([C@@H]1[....
2 2D3L - GLC C6 H12 O6 C([C@@H]1[....
3 1WPC - 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 11 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 10 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: GLC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Ligand no: 2; Ligand: GLC GLC; Similar ligands found: 7
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC 1 1
2 BGP 0.423077 0.707317
3 M6D 0.423077 0.707317
4 A6P 0.423077 0.707317
5 BG6 0.423077 0.707317
6 M6P 0.423077 0.707317
7 G6P 0.423077 0.707317
Ligand no: 3; Ligand: GLC GLC GLC; Similar ligands found: 169
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC BGC 1 1
2 GLC GLC GLC 1 1
3 MAN MAN MAN 1 1
4 GLC GLC GLC GLC BGC 1 1
5 MLB 0.953488 1
6 MAN BMA 0.953488 1
7 GLA GLC 0.953488 1
8 BMA GLA 0.953488 1
9 BGC GLA 0.953488 1
10 LAK 0.953488 1
11 GAL GAL 0.953488 1
12 GLA BGC 0.953488 1
13 GLA BMA 0.953488 1
14 AHR AHR AHR 0.744681 0.857143
15 FUB AHR AHR 0.744681 0.857143
16 MAN MAN MAN MAN 0.736842 1
17 MAN MAN BMA MAN 0.736842 1
18 FUB AHR 0.717391 0.857143
19 AHR AHR 0.717391 0.857143
20 GLC GLC GLC GLC 0.684211 1
21 MAN MMA 0.666667 0.942857
22 GLC GLC GLC GLC GLC GLC 0.661017 1
23 GLC GLC GLC BGC 0.639344 1
24 M5S 0.612903 1
25 MAN BMA MAN MAN MAN 0.612903 1
26 MAN MAN MAN BMA MAN 0.58209 1
27 BMA BMA GLA BMA BMA 0.530303 1
28 MAN MMA MAN 0.52381 0.942857
29 FRU GLC GLA 0.523077 0.891892
30 RAF 0.523077 0.891892
31 MAN MAN MAN BMA MAN MAN MAN 0.506494 0.942857
32 NGB 0.492754 0.622642
33 GLA 0.488889 0.848485
34 BGC 0.488889 0.848485
35 MAN 0.488889 0.848485
36 ALL 0.488889 0.848485
37 GIV 0.488889 0.848485
38 BMA 0.488889 0.848485
39 GXL 0.488889 0.848485
40 GLC 0.488889 0.848485
41 WOO 0.488889 0.848485
42 GAL 0.488889 0.848485
43 SUC GLA 0.478873 0.891892
44 MAN H1M MAN 0.478261 0.868421
45 BMA BMA MAN 0.474576 0.970588
46 4CQ 0.46875 0.970588
47 WZ2 0.463768 0.868421
48 NAG MAN BMA 0.459459 0.733333
49 NAG MAN MAN 0.459459 0.733333
50 GAL GLC 0.45614 1
51 BGC GLC 0.45614 1
52 CBI 0.45614 1
53 MAL 0.45614 1
54 LAT 0.45614 1
55 LBT 0.45614 1
56 BGC GAL 0.45614 1
57 N9S 0.45614 1
58 B2G 0.45614 1
59 MAL MAL 0.45614 0.970588
60 MAB 0.45614 1
61 BMA GAL 0.45614 1
62 GAL BGC 0.45614 1
63 GLC BGC 0.45614 1
64 GLA GAL 0.45614 1
65 CBK 0.45614 1
66 GLC GAL 0.45614 1
67 BGC BMA 0.45614 1
68 GLA GLA 0.45614 1
69 BMA BMA 0.45614 1
70 RGG 0.454545 0.882353
71 WZ3 0.450704 0.916667
72 DEG 0.446429 0.769231
73 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.445783 0.6875
74 1GN ACY GAL ACY 1GN BGC GAL BGC 0.445783 0.6875
75 DMJ MAN 0.444444 0.727273
76 BMA BMA BMA BMA BMA BMA MAN 0.444444 0.970588
77 MAN BMA BMA BMA BMA BMA 0.444444 0.970588
78 NAG BMA MAN MAN MAN MAN 0.444444 0.733333
79 NOJ BGC 0.444444 0.727273
80 GLC BGC BGC BGC XYS BGC XYS XYS 0.4375 0.916667
81 IFM MAN 0.4375 0.744186
82 M6D 0.433962 0.674419
83 G6P 0.433962 0.674419
84 BG6 0.433962 0.674419
85 M6P 0.433962 0.674419
86 A6P 0.433962 0.674419
87 BGP 0.433962 0.674419
88 DGD 0.433735 0.733333
89 LB2 0.431034 1
90 MAN GLC 0.431034 1
91 M3M 0.431034 1
92 EBQ 0.431034 0.837838
93 EBG 0.431034 0.837838
94 BGC BGC XYS BGC 0.426667 0.942857
95 CT3 0.42623 1
96 MLR 0.42623 1
97 GLC GLC BGC GLC GLC GLC GLC 0.42623 1
98 CEY 0.42623 1
99 GLC BGC GLC 0.42623 1
100 GLC GAL GAL 0.42623 1
101 GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
102 GLC GLC BGC 0.42623 1
103 GLC GLC GLC GLC GLC GLC GLC 0.42623 1
104 BGC GLC GLC GLC GLC 0.42623 1
105 MAN MAN BMA BMA BMA BMA 0.42623 1
106 B4G 0.42623 1
107 MAN BMA BMA BMA BMA 0.42623 1
108 CEX 0.42623 1
109 BMA BMA BMA BMA BMA 0.42623 1
110 DXI 0.42623 1
111 GLC BGC BGC BGC BGC BGC 0.42623 1
112 CTT 0.42623 1
113 CTR 0.42623 1
114 BMA BMA BMA 0.42623 1
115 GLC GLC GLC GLC GLC 0.42623 1
116 BGC GLC GLC 0.42623 1
117 GLC BGC BGC 0.42623 1
118 MAN BMA BMA 0.42623 1
119 MTT 0.42623 1
120 BMA BMA BMA BMA BMA BMA 0.42623 1
121 BGC GLC GLC GLC GLC GLC GLC 0.42623 1
122 CE5 0.42623 1
123 BMA MAN BMA 0.42623 1
124 BGC GLC GLC GLC 0.42623 1
125 GLA GAL GLC 0.42623 1
126 GAL GAL GAL 0.42623 1
127 CE6 0.42623 1
128 GLC BGC BGC BGC BGC 0.42623 1
129 BGC BGC BGC BGC BGC BGC 0.42623 1
130 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.42623 1
131 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.42623 1
132 MT7 0.42623 1
133 BGC BGC BGC GLC 0.42623 1
134 CE8 0.42623 1
135 HEX GLC 0.423729 0.714286
136 BHG 0.423729 0.714286
137 GLC HEX 0.423729 0.714286
138 JZR 0.423729 0.714286
139 TRE 0.42 1
140 WZ5 0.418605 0.702128
141 GAL GAL SO4 0.41791 0.702128
142 KGM 0.416667 0.738095
143 B7G 0.416667 0.738095
144 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.41573 0.733333
145 BGC BGC 0.413793 1
146 2M4 0.413793 1
147 MAN MAN 0.413793 1
148 MMA 0.411765 0.857143
149 AMG 0.411765 0.857143
150 MBG 0.411765 0.857143
151 GYP 0.411765 0.857143
152 GLC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
153 BGC BGC BGC XYS BGC XYS XYS 0.410256 0.942857
154 BGC BGC XYS BGC XYS BGC XYS 0.410256 0.942857
155 SER MAN 0.409836 0.775
156 BOG 0.409836 0.738095
157 BNG 0.409836 0.738095
158 HSJ 0.409836 0.738095
159 GLC GLC XYS XYS 0.408451 0.914286
160 GL1 0.407407 0.697674
161 M1P 0.407407 0.697674
162 XGP 0.407407 0.697674
163 G1P 0.407407 0.697674
164 6SA 0.40625 0.733333
165 AXR BXY BXY BXX 0.405405 0.789474
166 NAG BMA MAN MAN MAN MAN MAN 0.405063 0.868421
167 GAL FUC 0.403226 0.941176
168 GAL BGC NAG GAL 0.402597 0.733333
169 GAL BGC BGC XYS 0.4 0.942857
Ligand no: 4; Ligand: GLC GLC GLC GLC; Similar ligands found: 190
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC 1 1
2 M5S 0.833333 1
3 MAN BMA MAN MAN MAN 0.833333 1
4 MAN MAN BMA MAN 0.730159 1
5 MAN MAN MAN MAN 0.730159 1
6 MAN MAN MAN 0.684211 1
7 GLC GLC GLC GLC GLC BGC 0.684211 1
8 GLC GLC GLC 0.684211 1
9 GLC GLC GLC GLC BGC 0.684211 1
10 GAL GAL 0.678571 1
11 GLA BGC 0.678571 1
12 BMA GLA 0.678571 1
13 GLA GLC 0.678571 1
14 MAN BMA 0.678571 1
15 LAK 0.678571 1
16 BGC GLA 0.678571 1
17 GLA BMA 0.678571 1
18 MLB 0.678571 1
19 GLC GLC GLC BGC 0.666667 1
20 M3M 0.631579 1
21 MAN GLC 0.631579 1
22 LB2 0.631579 1
23 MAN MMA MAN 0.630769 0.942857
24 GAL GAL SO4 0.615385 0.702128
25 GLC GLC GLC GLC GLC GLC 0.61194 1
26 MAN MAN MAN BMA MAN 0.589041 1
27 BGC BGC BGC BGC BGC 0.580645 1
28 BGC BGC BGC GLC BGC BGC 0.580645 1
29 BGC BGC BGC ASO BGC BGC ASO 0.580645 1
30 GLC BGC BGC BGC BGC BGC BGC 0.580645 1
31 GLC BGC BGC BGC 0.580645 1
32 BGC BGC BGC 0.580645 1
33 AHR AHR AHR 0.559322 0.857143
34 FUB AHR AHR 0.559322 0.857143
35 MAN MMA 0.557377 0.942857
36 BGC BGC GLC 0.553846 1
37 WZ3 0.547945 0.916667
38 P3M 0.542857 0.767442
39 BMA BMA GLA BMA BMA 0.541667 1
40 FUB AHR 0.534483 0.857143
41 AHR AHR 0.534483 0.857143
42 NAG BMA MAN MAN MAN MAN 0.53012 0.733333
43 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.529412 0.6875
44 1GN ACY GAL ACY 1GN BGC GAL BGC 0.529412 0.6875
45 BMA MAN MAN 0.522388 1
46 MAN H1M MAN 0.513514 0.868421
47 MAN MAN MAN BMA MAN MAN MAN 0.5 0.942857
48 MAN MAN NAG MAN NAG 0.494382 0.6875
49 NAG NAG BMA MAN MAN 0.494382 0.6875
50 NAG MAN GAL MAN MAN NAG GAL 0.494382 0.6875
51 MAN MAN MAN MAN MAN MAN MAN MAN 0.494253 0.846154
52 BMA NGT MAN MAN 0.488372 0.66
53 CGC 0.485294 0.941176
54 BGC BGC XYS BGC 0.481013 0.942857
55 NAG BMA MAN MAN MAN MAN MAN 0.47561 0.868421
56 GLC BGC BGC BGC XYS BGC XYS XYS 0.470588 0.916667
57 GLC BGC BGC XYS BGC XYS XYS 0.463415 0.942857
58 BGC BGC BGC XYS BGC XYS XYS 0.463415 0.942857
59 BGC BGC XYS BGC XYS BGC XYS 0.463415 0.942857
60 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.462366 0.733333
61 GLA GAL GAL 0.457143 1
62 GLA GAL BGC 0.457143 1
63 NAG MAN MAN MAN NAG 0.453488 0.6875
64 RAF 0.453333 0.891892
65 FRU GLC GLA 0.453333 0.891892
66 B2G 0.453125 1
67 BGC BMA 0.453125 1
68 GLA GAL 0.453125 1
69 MAL MAL 0.453125 0.970588
70 GAL BGC 0.453125 1
71 GAL GLC 0.453125 1
72 GLC GAL 0.453125 1
73 BMA BMA 0.453125 1
74 BMA GAL 0.453125 1
75 GLC BGC 0.453125 1
76 N9S 0.453125 1
77 MAB 0.453125 1
78 CBI 0.453125 1
79 LAT 0.453125 1
80 GLA GLA 0.453125 1
81 BGC GLC 0.453125 1
82 CBK 0.453125 1
83 BGC GAL 0.453125 1
84 MAL 0.453125 1
85 LBT 0.453125 1
86 BGC BGC BGC BGC BGC BGC BGC BGC 0.452055 1
87 BGC BGC BGC BGC 0.452055 1
88 GLC GLC GLC GLC GLC GLC GLC GLC 0.447761 1
89 GLC BGC BGC 0.447761 1
90 BGC GLC GLC GLC GLC 0.447761 1
91 BMA MAN BMA 0.447761 1
92 MT7 0.447761 1
93 CEY 0.447761 1
94 GLC BGC BGC BGC BGC 0.447761 1
95 CT3 0.447761 1
96 GLC GAL GAL 0.447761 1
97 MAN BMA BMA BMA BMA 0.447761 1
98 BMA BMA BMA 0.447761 1
99 BMA BMA BMA BMA BMA 0.447761 1
100 CEX 0.447761 1
101 GLC GLC GLC GLC GLC 0.447761 1
102 B4G 0.447761 1
103 GLC BGC BGC BGC BGC BGC 0.447761 1
104 DXI 0.447761 1
105 CTR 0.447761 1
106 MLR 0.447761 1
107 GLC GLC GLC GLC GLC GLC GLC 0.447761 1
108 MAN MAN BMA BMA BMA BMA 0.447761 1
109 GLC GLC BGC 0.447761 1
110 CTT 0.447761 1
111 BGC GLC GLC 0.447761 1
112 BGC GLC GLC GLC 0.447761 1
113 GAL GAL GAL 0.447761 1
114 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.447761 1
115 MAN BMA BMA 0.447761 1
116 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.447761 1
117 GLA GAL GLC 0.447761 1
118 BGC BGC BGC BGC BGC BGC 0.447761 1
119 CE6 0.447761 1
120 CE5 0.447761 1
121 CE8 0.447761 1
122 BGC BGC BGC GLC 0.447761 1
123 BMA BMA MAN 0.447761 0.970588
124 BGC GLC GLC GLC GLC GLC GLC 0.447761 1
125 GLC GLC BGC GLC GLC GLC GLC 0.447761 1
126 MTT 0.447761 1
127 GLC BGC GLC 0.447761 1
128 BMA BMA BMA BMA BMA BMA 0.447761 1
129 GLC GLC XYS XYS 0.447368 0.914286
130 BMA BMA BMA BMA BMA BMA MAN 0.442857 0.970588
131 MAN BMA BMA BMA BMA BMA 0.442857 0.970588
132 GLA EGA 0.441176 0.942857
133 M13 0.439394 0.942857
134 T6P 0.439394 0.767442
135 GAL MBG 0.439394 0.942857
136 MDM 0.439394 0.942857
137 GAL BGC NAG GAL 0.439024 0.733333
138 BGC BGC 0.4375 1
139 2M4 0.4375 1
140 MAN MAN 0.4375 1
141 6PZ ACY ACY BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.435897 0.611111
142 ACY ACY 6PZ BGC GAL 1GN ACY 1GN GAL GAL ACY BGC 0.435897 0.611111
143 M5G 0.435644 0.6875
144 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.434783 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL 0.434783 0.942857
146 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.434783 0.942857
147 GAL BGC BGC BGC XYS XYS 0.434783 0.942857
148 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.434783 0.942857
149 WZ5 0.434783 0.702128
150 GLC GLC BGC XYS BGC XYS 0.433735 0.942857
151 6PZ BGC GAL 1GN 1GN ACY GAL GAL ACY BGC 0.432203 0.611111
152 NGB 0.43038 0.622642
153 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.423529 0.942857
154 BGC BGC BGC XYS BGC BGC 0.423529 0.942857
155 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.423529 0.942857
156 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.422222 0.916667
157 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.422222 0.916667
158 BGC BGC XYS BGC XYS GAL 0.422222 0.916667
159 TRE 0.421053 1
160 GAL BGC BGC XYS 0.419753 0.942857
161 SUC GLA 0.419753 0.891892
162 LAT GLA 0.415385 1
163 MAL EDO 0.414286 0.942857
164 FUC BGC GAL 0.413333 0.970588
165 AML MAN MAN MAN MAN MAN MAN MAN MAN 0.413043 0.825
166 NAG GAL GAL NAG GAL 0.411765 0.6875
167 BMA MAN 0.411765 0.914286
168 MAN MAN MAN GLC 0.407895 1
169 AXR BXY BXY BXX 0.407407 0.789474
170 BGC BGC BGC XYS GAL 0.406977 0.942857
171 RGG 0.40625 0.882353
172 GAL FUC 0.405797 0.941176
173 U63 0.405797 0.891892
174 NAG NAG BMA MAN MAN MAN MAN 0.40566 0.634615
175 4CQ 0.405405 0.970588
176 WZ2 0.405063 0.868421
177 NAG MAN BMA 0.404762 0.733333
178 NAG MAN MAN 0.404762 0.733333
179 KDO MAN MAN MAN MAN MAN 0.403846 0.868421
180 NOJ BGC 0.402778 0.727273
181 DMJ MAN 0.402778 0.727273
182 GLA GAL FUC 0.4 0.970588
183 NAG GAL 0.4 0.733333
184 GLA GLA FUC 0.4 0.970588
185 FUC GAL GLA 0.4 0.970588
186 FUC GLA GLA 0.4 0.970588
187 GAL GAL FUC 0.4 0.970588
188 NGA GAL 0.4 0.733333
189 GAL NAG 0.4 0.733333
190 NOY BGC 0.4 0.75
Ligand no: 5; Ligand: GLC GLC GLC GLC GLC GLC; Similar ligands found: 243
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC GLC GLC GLC GLC GLC 1 1
2 GLC GLC GLC BGC 0.777778 1
3 BMA BMA GLA BMA BMA 0.712121 1
4 BMA BMA BMA BMA BMA BMA MAN 0.688525 0.970588
5 MAN BMA BMA BMA BMA BMA 0.688525 0.970588
6 BMA GLA 0.684211 1
7 GLA GLC 0.684211 1
8 GLA BMA 0.684211 1
9 MLB 0.684211 1
10 LAK 0.684211 1
11 GAL GAL 0.684211 1
12 MAN BMA 0.684211 1
13 GLA BGC 0.684211 1
14 BGC GLA 0.684211 1
15 GLA GAL GLC 0.677966 1
16 B4G 0.677966 1
17 GLC GLC GLC GLC GLC 0.677966 1
18 BGC GLC GLC GLC GLC GLC GLC 0.677966 1
19 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.677966 1
20 BMA MAN BMA 0.677966 1
21 MAN BMA BMA 0.677966 1
22 MTT 0.677966 1
23 DXI 0.677966 1
24 BMA BMA BMA BMA BMA BMA 0.677966 1
25 BMA BMA BMA 0.677966 1
26 GLC BGC BGC BGC BGC BGC 0.677966 1
27 BGC GLC GLC GLC 0.677966 1
28 GAL GAL GAL 0.677966 1
29 BGC GLC GLC 0.677966 1
30 CE5 0.677966 1
31 CE6 0.677966 1
32 BGC BGC BGC BGC BGC BGC 0.677966 1
33 GLC GLC GLC GLC GLC GLC GLC 0.677966 1
34 BGC BGC BGC GLC 0.677966 1
35 CTR 0.677966 1
36 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.677966 1
37 CTT 0.677966 1
38 CT3 0.677966 1
39 GLC GLC BGC GLC GLC GLC GLC 0.677966 1
40 BGC GLC GLC GLC GLC 0.677966 1
41 CE8 0.677966 1
42 MT7 0.677966 1
43 GLC GAL GAL 0.677966 1
44 MLR 0.677966 1
45 GLC GLC GLC GLC GLC GLC GLC GLC 0.677966 1
46 MAN BMA BMA BMA BMA 0.677966 1
47 GLC BGC GLC 0.677966 1
48 GLC BGC BGC 0.677966 1
49 CEY 0.677966 1
50 GLC BGC BGC BGC BGC 0.677966 1
51 CEX 0.677966 1
52 GLC GLC BGC 0.677966 1
53 MAN MAN BMA BMA BMA BMA 0.677966 1
54 BMA BMA BMA BMA BMA 0.677966 1
55 GLC GLC GLC GLC GLC BGC 0.661017 1
56 GLC GLC GLC GLC BGC 0.661017 1
57 MAN MAN MAN 0.661017 1
58 GLC GLC GLC 0.661017 1
59 MAN MAN MAN MAN 0.656716 1
60 MAN MAN BMA MAN 0.656716 1
61 GLA EGA 0.639344 0.942857
62 GAL BGC NAG GAL 0.621622 0.733333
63 LAT GLA 0.62069 1
64 GLA GAL BGC 5VQ 0.615385 0.891892
65 GLC GLC GLC GLC 0.61194 1
66 LAT 0.610169 1
67 N9S 0.610169 1
68 LBT 0.610169 1
69 CBI 0.610169 1
70 BGC GAL 0.610169 1
71 GLA GLA 0.610169 1
72 MAL 0.610169 1
73 GAL GLC 0.610169 1
74 GLC BGC 0.610169 1
75 GAL BGC 0.610169 1
76 MAB 0.610169 1
77 BMA GAL 0.610169 1
78 BMA BMA 0.610169 1
79 CBK 0.610169 1
80 GLA GAL 0.610169 1
81 MAL MAL 0.610169 0.970588
82 GLC GAL 0.610169 1
83 BGC GLC 0.610169 1
84 BGC BMA 0.610169 1
85 B2G 0.610169 1
86 BGC BGC GLC 0.609375 1
87 MAL EDO 0.603175 0.942857
88 6SA 0.597826 0.733333
89 MAN MAN MAN BMA MAN 0.594595 1
90 BGC BGC BGC BGC BGC BGC BGC BGC 0.588235 1
91 BGC BGC BGC BGC 0.588235 1
92 GLA GAL GLC NBU 0.588235 0.846154
93 BGC BGC XYS BGC 0.586667 0.942857
94 M5S 0.577465 1
95 MAN BMA MAN MAN MAN 0.577465 1
96 BGC BGC BGC XYS BGC BGC 0.576923 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.576923 0.942857
98 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.576923 0.942857
99 GLC GLC BGC XYS BGC XYS 0.551282 0.942857
100 GLC BGC BGC BGC XYS BGC XYS XYS 0.548781 0.916667
101 IAB 0.544444 0.733333
102 FUB AHR 0.542373 0.857143
103 AHR AHR 0.542373 0.857143
104 AHR AHR AHR 0.540984 0.857143
105 FUB AHR AHR 0.540984 0.857143
106 DR5 0.539683 0.942857
107 MMA MAN 0.539683 0.942857
108 GLA GAL GAL 0.529412 1
109 GLA GAL BGC 0.529412 1
110 GLC GLC XYP 0.527778 1
111 UMQ 0.527778 0.785714
112 LMT 0.527778 0.785714
113 LMU 0.527778 0.785714
114 DMU 0.527778 0.785714
115 GLC BGC BGC XYS BGC XYS XYS 0.525 0.942857
116 BGC BGC XYS BGC XYS BGC XYS 0.525 0.942857
117 BGC BGC BGC XYS BGC XYS XYS 0.525 0.942857
118 MAN MAN MAN BMA MAN MAN MAN 0.52381 0.942857
119 BMA BMA MAN 0.523077 0.970588
120 G2F BGC BGC BGC BGC BGC 0.521127 0.868421
121 BGC BGC BGC XYS GAL 0.518519 0.942857
122 6UZ 0.506667 0.846154
123 GLC BGC BGC XYS BGC XYS XYS GAL 0.505618 0.942857
124 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.505618 0.942857
125 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.505618 0.942857
126 GAL BGC BGC BGC XYS XYS 0.505618 0.942857
127 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.505618 0.942857
128 MAN MMA MAN 0.5 0.942857
129 GAL BGC BGC XYS 0.5 0.942857
130 GAL BGC BGC BGC XYS BGC XYS 0.494253 0.942857
131 BGC BGC BGC XYS BGC XYS GAL 0.494253 0.942857
132 ABD 0.493976 0.75
133 G3I 0.486486 0.767442
134 G2I 0.486486 0.767442
135 OXZ BGC BGC 0.486486 0.6875
136 M3M 0.484375 1
137 MAN GLC 0.484375 1
138 LB2 0.484375 1
139 NAG MAN GAL MAN MAN NAG GAL 0.483516 0.6875
140 BMA BMA BMA BMA GLA BMA GLA 0.478261 0.846154
141 U63 0.477612 0.891892
142 CM5 0.475 0.891892
143 NGA GAL BGC 0.474359 0.733333
144 GLC GLC XYS 0.473684 0.970588
145 MVP 0.471429 0.733333
146 GAL NGA GLA BGC GAL 0.470588 0.733333
147 MAN MMA 0.469697 0.942857
148 BGC BGC G2F SHG 0.469136 0.846154
149 MA4 0.469136 0.891892
150 MAN MAN 0.46875 1
151 2M4 0.46875 1
152 BGC BGC 0.46875 1
153 LAG 0.467532 0.6
154 SOR GLC GLC GLC 0.467532 0.970588
155 NAG BMA MAN MAN MAN MAN 0.465909 0.733333
156 GAL GAL SO4 0.465753 0.702128
157 BMA MAN MAN 0.464789 1
158 NAG MAN MAN 0.463415 0.733333
159 NAG MAN BMA 0.463415 0.733333
160 MAN H1M MAN 0.461538 0.868421
161 BGC BGC XYS BGC XYS GAL 0.460674 0.916667
162 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.460674 0.916667
163 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.460674 0.916667
164 GAL FUC 0.455882 0.941176
165 WZ3 0.455696 0.916667
166 GLC GLC XYS XYS 0.454545 0.914286
167 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.452632 0.733333
168 MAN MAN NAG MAN NAG 0.451613 0.6875
169 NAG NAG BMA MAN MAN 0.451613 0.6875
170 QV4 0.450549 0.733333
171 GLC GLC G6D ACI GLC GLC GLC 0.450549 0.785714
172 BGC BGC BGC BGC BGC 0.449275 1
173 BGC BGC BGC ASO BGC BGC ASO 0.449275 1
174 BGC BGC BGC GLC BGC BGC 0.449275 1
175 BGC BGC BGC 0.449275 1
176 GLC BGC BGC BGC 0.449275 1
177 GLC BGC BGC BGC BGC BGC BGC 0.449275 1
178 LSE 0.448718 0.6875
179 RCB 0.444444 0.622642
180 GLC GLC FRU 0.444444 0.868421
181 MAN MAN BMA 0.442857 1
182 NGA GLA GAL BGC 0.44186 0.733333
183 SOR GLC GLC 0.441558 0.970588
184 BMA MAN 0.441176 0.914286
185 FUC BGC GAL 0.44 0.970588
186 BGC GLA GAL FUC 0.439024 0.970588
187 NDG GAL 0.438356 0.733333
188 GAL NDG 0.438356 0.733333
189 NLC 0.438356 0.733333
190 GLO GLC GLC GLC 0.433735 0.942857
191 GLC GLC AGL HMC GLC 0.431579 0.733333
192 ACR GLC GLC GLC 0.431579 0.733333
193 GLC GLC ACI G6D GLC GLC 0.431579 0.733333
194 GLC GLC DAF BGC 0.431579 0.733333
195 TRE 0.431034 1
196 GLC GAL NAG GAL 0.430233 0.733333
197 NAG BMA MAN MAN MAN MAN MAN 0.430233 0.868421
198 LAT FUC 0.428571 0.970588
199 BMA NGT MAN MAN 0.428571 0.66
200 GLC GAL FUC 0.428571 0.970588
201 BGC GAL FUC 0.428571 0.970588
202 FUC GAL GLC 0.428571 0.970588
203 FUC LAT 0.428571 0.970588
204 10M 0.425 0.733333
205 GLA MBG 0.424242 0.942857
206 BGC GAL NAG GAL 0.423529 0.733333
207 LAT NAG GAL 0.423529 0.733333
208 GAL NAG GAL BGC 0.423529 0.733333
209 4MU BGC BGC BGC BGC 0.420455 0.767442
210 NPJ 0.419753 0.622642
211 ARE 0.416667 0.733333
212 AAO 0.416667 0.733333
213 GAL NAG MAN 0.414634 0.733333
214 MAN NAG GAL 0.414634 0.733333
215 M5G 0.413462 0.6875
216 NBG BGC BGC XYS BGC XYS XYS 0.413043 0.702128
217 GLC GLC GLC G6D ADH GLC 0.412371 0.6875
218 LAT SPH DAO 0.410526 0.611111
219 LAT SPH OLA 0.410526 0.611111
220 P3M 0.410256 0.767442
221 NAG MAN MAN MAN NAG GAL NAG GAL 0.41 0.673469
222 MAN BMA NAG NAG MAN NAG GAL GAL 0.41 0.673469
223 NAG MAN GAL BMA NAG MAN NAG GAL 0.41 0.673469
224 NAG MAN GAL BMA NDG MAN NAG GAL 0.41 0.673469
225 GLO GLC GLC 0.409639 0.942857
226 4MU BGC BGC 0.409091 0.767442
227 GLC G6D ADH GLC 0.406593 0.785714
228 GLC G6D ACI GLC 0.406593 0.785714
229 GLC ACI G6D BGC 0.406593 0.785714
230 GLC ACI GLD GLC 0.406593 0.785714
231 GAL GAL GLC EMB MEC 0.40625 0.622642
232 T6P 0.405797 0.767442
233 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.40566 0.6875
234 FRU GLC GLA 0.405063 0.891892
235 RAF 0.405063 0.891892
236 BGC BGC SGC MGL 0.404762 0.868421
237 MGL SGC GLC GLC 0.404762 0.868421
238 MAN MAN MAN MAN MAN MAN MAN MAN 0.404255 0.846154
239 1GN ACY GAL ACY 1GN BGC GAL BGC 0.404255 0.6875
240 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.404255 0.6875
241 NAG GAL GAL NAG GAL 0.402299 0.6875
242 8VZ 0.4 0.673469
243 DOM 0.4 0.942857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2D3N; Ligand: GLC; Similar sites found: 47
This union binding pocket(no: 1) in the query (biounit: 2d3n.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4M51 BEZ 0.0249 0.41841 1.40515
2 3HAV SRY 0.02819 0.40868 1.67224
3 5CGM MAL 0.01485 0.41917 2.06186
4 1GJW MAL 0.03402 0.40445 2.06186
5 4S3R 7SA 0.00329 0.4009 2.26804
6 4DZ1 DAL 0.03081 0.41435 2.3166
7 1UA7 ACI GLD GLC ACI G6D BGC 0.000004545 0.53861 2.60664
8 4MPO AMP 0.04212 0.40325 2.61438
9 3WY2 BGC 0.00006813 0.51295 4.12371
10 3W9F I3P 0.03077 0.41897 5
11 2FHF GLC GLC GLC GLC 0.001304 0.43285 5.15464
12 2WW2 SWA 0.02149 0.4139 5.15464
13 3G2Y GF4 0.03984 0.41051 5.32319
14 4W93 3L9 0.000009965 0.47959 5.56701
15 1UH4 GLC GLC GLC 0.0001105 0.4768 5.7732
16 1VB9 GLC GLC GLC GLC GLC GLC 0.0001302 0.50005 6.39175
17 1ESW ACR 0.003279 0.45205 6.39175
18 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.03386 0.40825 6.55738
19 3UER BTU 0.00003516 0.55046 6.59794
20 5BRP PNG 0.009603 0.44441 7.62887
21 2ZID GLC GLC GLC 0.0001124 0.51352 8.04124
22 3AXI GLC 0.0002424 0.4925 8.04124
23 5GVR LMR 0.02244 0.42884 8.54701
24 3K8L CEY 0.00001133 0.52694 8.65979
25 3K8L MT7 0.00002266 0.49249 8.65979
26 4TVD BGC 0.00000009347 0.72521 8.86598
27 3KLL MAL 0.0004849 0.429 10.4909
28 3CZG GLC 0.01236 0.43596 10.7216
29 5JBE GLC GLC GLC GLC GLC 0.000002023 0.50558 11.134
30 1JDC GLC GLC GLC GLC 0.000001081 0.4576 13.986
31 1PIG AGL GLC HMC AGL GLC BGC 0.00001269 0.48481 14.433
32 5A2B MAL 0.000005763 0.60599 15.8763
33 3EDF ACX 0.00001463 0.53789 16.701
34 3EDF CE6 0.00002031 0.52616 16.701
35 1G94 DAF GLC DAF GLC GLC 0.000001309 0.56677 16.7411
36 2PWG CTS 0.0003862 0.4784 17.3196
37 3VM7 GLC 0.0000001453 0.7461 23.299
38 4E2O ACI G6D GLC ACI G6D BGC 0.000000405 0.62247 24.8899
39 2GVY GLC GLC 0.0000007512 0.6625 24.8954
40 2GVY BGC GLC 0.0000363 0.59182 24.8954
41 8CGT TM6 0.000006259 0.54318 26.8041
42 1QHO ABD 0.0000007406 0.49913 29.0722
43 1J0I GLC GLC GLC 0.00008603 0.53758 32.3711
44 1LWJ ACG 0.0000119 0.42553 33.3333
45 2CXG GLC G6D ACI GLC 0.00001225 0.48378 36.9072
46 1UKQ GLC ACI G6D GLC 0.00001366 0.51867 37.3196
47 3BMW GLC GLC G6D ACI GLC GLC GLC 0.000000278 0.60834 39.3814
Pocket No.: 2; Query (leader) PDB : 2D3N; Ligand: GLC GLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2d3n.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2D3N; Ligand: GLC GLC GLC; Similar sites found: 3
This union binding pocket(no: 3) in the query (biounit: 2d3n.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FJJ MAN 0.003182 0.42936 1.64948
2 4WCX ALA 0.00183 0.48759 1.875
3 3W9F I3P 0.01549 0.44577 5
Pocket No.: 4; Query (leader) PDB : 2D3N; Ligand: GLC GLC; Similar sites found: 3
This union binding pocket(no: 4) in the query (biounit: 2d3n.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5FJJ MAN 0.003182 0.42936 1.64948
2 4WCX ALA 0.00183 0.48759 1.875
3 3W9F I3P 0.01549 0.44577 5
Pocket No.: 5; Query (leader) PDB : 2D3N; Ligand: GLC GLC GLC GLC GLC GLC; Similar sites found: 45
This union binding pocket(no: 5) in the query (biounit: 2d3n.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4M51 BEZ 0.0278 0.41776 1.40515
2 3HAV SRY 0.03083 0.40868 1.67224
3 5CGM MAL 0.01635 0.41917 2.06186
4 1GJW MAL 0.03715 0.40445 2.06186
5 4S3R 7SA 0.002751 0.40614 2.26804
6 1UA7 ACI GLD GLC ACI G6D BGC 0.00000543 0.53861 2.60664
7 4MPO AMP 0.04533 0.40325 2.61438
8 3MBC NAP 0.01541 0.44024 3.50515
9 3WY2 BGC 0.00007862 0.51295 4.12371
10 3W9F I3P 0.03302 0.41897 5
11 2FHF GLC GLC GLC GLC 0.001496 0.43285 5.15464
12 2WW2 SWA 0.02324 0.4139 5.15464
13 3G2Y GF4 0.04214 0.41086 5.32319
14 4W93 3L9 0.00001096 0.46771 5.56701
15 1UH4 GLC GLC GLC 0.0001292 0.4768 5.7732
16 1VB9 GLC GLC GLC GLC GLC GLC 0.0001496 0.50005 6.39175
17 1ESW ACR 0.003648 0.45205 6.39175
18 3UER BTU 0.00004027 0.55046 6.59794
19 5BRP PNG 0.01051 0.44441 7.62887
20 2ZID GLC GLC GLC 0.0001511 0.51015 8.04124
21 3AXI GLC 0.0002497 0.49459 8.04124
22 3K8L CEY 0.00001341 0.52694 8.65979
23 3K8L MT7 0.00002706 0.49249 8.65979
24 4TVD BGC 0.0000001089 0.72521 8.86598
25 3KLL MAL 0.0005704 0.429 10.4909
26 3CZG GLC 0.01353 0.43596 10.7216
27 5JBE GLC GLC GLC GLC GLC 0.000001137 0.5203 11.134
28 1JDC GLC GLC GLC GLC 0.000001113 0.44637 13.986
29 1PIG AGL GLC HMC AGL GLC BGC 0.00001707 0.47168 14.433
30 5A2B MAL 0.000006633 0.60599 15.8763
31 3EDF ACX 0.00001629 0.53886 16.701
32 3EDF CE6 0.00002331 0.52655 16.701
33 1G94 DAF GLC DAF GLC GLC 0.000001672 0.56563 16.7411
34 2PWG CTS 0.0004403 0.4784 17.3196
35 3VM7 GLC 0.0000001667 0.7461 23.299
36 4E2O ACI G6D GLC ACI G6D BGC 0.0000004825 0.62247 24.8899
37 2GVY GLC GLC 0.000000872 0.6625 24.8954
38 2GVY BGC GLC 0.00004017 0.59182 24.8954
39 8CGT TM6 0.00000743 0.54314 26.8041
40 1QHO ABD 0.0000009062 0.48415 29.0722
41 1J0I GLC GLC GLC 0.00009769 0.53758 32.3711
42 1LWJ ACG 0.00001433 0.41416 33.3333
43 2CXG GLC G6D ACI GLC 0.00001492 0.48378 36.9072
44 1UKQ GLC ACI G6D GLC 0.00001569 0.51922 37.3196
45 3BMW GLC GLC G6D ACI GLC GLC GLC 0.0000003357 0.60834 39.3814
Pocket No.: 6; Query (leader) PDB : 2D3N; Ligand: GLC GLC GLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2d3n.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 7; Query (leader) PDB : 2D3N; Ligand: GLC GLC GLC GLC; Similar sites found: 45
This union binding pocket(no: 7) in the query (biounit: 2d3n.bio1) has 39 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4M51 BEZ 0.0289 0.41841 1.40515
2 5CGM MAL 0.01315 0.42598 2.06186
3 1GJW MAL 0.04035 0.40445 2.06186
4 4S3R 7SA 0.002644 0.40903 2.26804
5 1UA7 ACI GLD GLC ACI G6D BGC 0.00000641 0.53861 2.60664
6 4MPO AMP 0.04856 0.40325 2.61438
7 3MBC NAP 0.01658 0.44024 3.50515
8 3WY2 BGC 0.00008988 0.51295 4.12371
9 3W9F I3P 0.03528 0.41897 5
10 2FHF GLC GLC GLC GLC 0.0017 0.43285 5.15464
11 2WW2 SWA 0.025 0.4139 5.15464
12 3G2Y GF4 0.04597 0.41051 5.32319
13 4W93 3L9 0.00001527 0.45322 5.56701
14 1UH4 GLC GLC GLC 0.0001495 0.4768 5.7732
15 1VB9 GLC GLC GLC GLC GLC GLC 0.0001703 0.50005 6.39175
16 1ESW ACR 0.004031 0.45205 6.39175
17 3UER BTU 0.00004573 0.55046 6.59794
18 5BRP PNG 0.01144 0.44441 7.62887
19 2ZID GLC GLC GLC 0.0001457 0.51352 8.04124
20 3AXI GLC 0.0003128 0.4925 8.04124
21 3K8L CEY 0.00001568 0.52694 8.65979
22 3K8L MT7 0.00003193 0.49249 8.65979
23 4TVD BGC 0.0000001257 0.72521 8.86598
24 3KLL MAL 0.00004492 0.47246 10.4909
25 3CZG GLC 0.01474 0.43596 10.7216
26 5JBE GLC GLC GLC GLC GLC 0.000003382 0.5065 11.134
27 1JDC GLC GLC GLC GLC 0.000001527 0.43232 13.986
28 1PIG AGL GLC HMC AGL GLC BGC 0.00002101 0.45905 14.433
29 5A2B MAL 0.000007565 0.60599 15.8763
30 3EDF ACX 0.00001982 0.53789 16.701
31 3EDF CE6 0.00002755 0.52616 16.701
32 1G94 DAF GLC DAF GLC GLC 0.000001868 0.56677 16.7411
33 2PWG CTS 0.0004977 0.4784 17.3196
34 3VM7 GLC 0.0000001895 0.7461 23.299
35 4E2O ACI G6D GLC ACI G6D BGC 0.0000005684 0.62247 24.8899
36 2GVY GLC GLC 0.000001003 0.6625 24.8954
37 2GVY BGC GLC 0.00004416 0.59182 24.8954
38 8CGT TM6 0.000008682 0.54318 26.8041
39 1QHO ABD 0.000001094 0.47059 29.0722
40 1J0I GLC GLC GLC 0.00011 0.53758 32.3711
41 1LWJ ACG 0.00001617 0.40407 33.3333
42 4UYG 73B 0.04613 0.40988 33.758
43 2CXG GLC G6D ACI GLC 0.00001661 0.485 36.9072
44 1UKQ GLC ACI G6D GLC 0.00001896 0.51867 37.3196
45 3BMW GLC GLC G6D ACI GLC GLC GLC 0.0000004003 0.60834 39.3814
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