Receptor
PDB id Resolution Class Description Source Keywords
2CXG 2.5 Å EC: 2.4.1.19 CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED TO THE INHIBITOR ACARBOSE BACILLUS CIRCULANS GLYCOSYLTRANSFERASE
Ref.: X-RAY STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH ACARBOSE. IMPLICATIONS FOR THE CATALYTIC MECHANISM OF GLYCOSIDASES. BIOCHEMISTRY V. 34 2234 1995
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:688;
A:689;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
GLC G6D ACI GLC A:693;
Valid;
none;
submit data
648.632 n/a O(C1O...
GLC GLC A:690;
A:698;
Valid;
Valid;
none;
none;
submit data
358.296 n/a O1C(O...
GLC GLC GLC GLC A:701;
Valid;
none;
submit data
666.579 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2CXG 2.5 Å EC: 2.4.1.19 CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED TO THE INHIBITOR ACARBOSE BACILLUS CIRCULANS GLYCOSYLTRANSFERASE
Ref.: X-RAY STRUCTURE OF CYCLODEXTRIN GLYCOSYLTRANSFERASE COMPLEXED WITH ACARBOSE. IMPLICATIONS FOR THE CATALYTIC MECHANISM OF GLYCOSIDASES. BIOCHEMISTRY V. 34 2234 1995
Members (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1CXH - GLC GLC GLC GLC n/a n/a
2 1CGV - MAL C12 H22 O11 C([C@@H]1[....
3 1EO5 - GLC GLC GLC n/a n/a
4 1DTU - GLC GLC n/a n/a
5 1OT1 - BGC GLC GLC GLC n/a n/a
6 1KCL - GLC C6 H12 O6 C([C@@H]1[....
7 1CXI - MAL C12 H22 O11 C([C@@H]1[....
8 1D3C - GLC GLC n/a n/a
9 1CGY - MAL C12 H22 O11 C([C@@H]1[....
10 1PJ9 - GLC C6 H12 O6 C([C@@H]1[....
11 1EO7 - GLC GLC GLC n/a n/a
12 1CXK - GLC GLC n/a n/a
13 2CXG - GLC G6D ACI GLC n/a n/a
14 1CXE - GLC GLC GLC GLC n/a n/a
15 1KCK - GLC G6D ADH GLC n/a n/a
16 1OT2 - BGC GLC GLC GLC n/a n/a
17 1PEZ - BGC GLC n/a n/a
18 1CDG - MAL C12 H22 O11 C([C@@H]1[....
70% Homology Family (31)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I75 - NOJ C6 H13 N O4 C1[C@@H]([....
2 1V3M - GAL C6 H12 O6 C([C@@H]1[....
3 1V3L - GLC ACI GLD GAL n/a n/a
4 1UKT ic50 > 5600 uM ACI GLD GLC GAL n/a n/a
5 1UKQ ic50 = 0.33 uM GLC ACI G6D BGC n/a n/a
6 1DED - QPS C25 H43 N O18 C[C@@H]1[C....
7 1UKS ic50 = 3300 uM GLC ACI GLD GAL n/a n/a
8 1CXH - GLC GLC GLC GLC n/a n/a
9 1CGV - MAL C12 H22 O11 C([C@@H]1[....
10 1EO5 - GLC GLC GLC n/a n/a
11 1DTU - GLC GLC n/a n/a
12 1OT1 - BGC GLC GLC GLC n/a n/a
13 1KCL - GLC C6 H12 O6 C([C@@H]1[....
14 1CXI - MAL C12 H22 O11 C([C@@H]1[....
15 1D3C - GLC GLC n/a n/a
16 1CGY - MAL C12 H22 O11 C([C@@H]1[....
17 1PJ9 - GLC C6 H12 O6 C([C@@H]1[....
18 1EO7 - GLC GLC GLC n/a n/a
19 1CXK - GLC GLC n/a n/a
20 2CXG - GLC G6D ACI GLC n/a n/a
21 1CXE - GLC GLC GLC GLC n/a n/a
22 1KCK - GLC G6D ADH GLC n/a n/a
23 1OT2 - BGC GLC GLC GLC n/a n/a
24 1PEZ - BGC GLC n/a n/a
25 1CDG - MAL C12 H22 O11 C([C@@H]1[....
26 3BMW - GLC GLC G6D ACI GLC GLC GLC n/a n/a
27 5CGT - GLC C6 H12 O6 C([C@@H]1[....
28 9CGT - TM5 C30 H52 O23 S3 C([C@@H]1[....
29 8CGT - TM6 C36 H62 O28 S3 C([C@@H]1[....
30 1CGU - GLC GLC n/a n/a
31 3CGT - BCD C42 H70 O35 C([C@@H]1[....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1I75 - NOJ C6 H13 N O4 C1[C@@H]([....
2 1V3M - GAL C6 H12 O6 C([C@@H]1[....
3 1V3L - GLC ACI GLD GAL n/a n/a
4 1UKT ic50 > 5600 uM ACI GLD GLC GAL n/a n/a
5 1UKQ ic50 = 0.33 uM GLC ACI G6D BGC n/a n/a
6 1DED - QPS C25 H43 N O18 C[C@@H]1[C....
7 1UKS ic50 = 3300 uM GLC ACI GLD GAL n/a n/a
8 1CXH - GLC GLC GLC GLC n/a n/a
9 1CGV - MAL C12 H22 O11 C([C@@H]1[....
10 1EO5 - GLC GLC GLC n/a n/a
11 1DTU - GLC GLC n/a n/a
12 1OT1 - BGC GLC GLC GLC n/a n/a
13 1KCL - GLC C6 H12 O6 C([C@@H]1[....
14 1CXI - MAL C12 H22 O11 C([C@@H]1[....
15 1D3C - GLC GLC n/a n/a
16 1CGY - MAL C12 H22 O11 C([C@@H]1[....
17 1PJ9 - GLC C6 H12 O6 C([C@@H]1[....
18 1EO7 - GLC GLC GLC n/a n/a
19 1CXK - GLC GLC n/a n/a
20 2CXG - GLC G6D ACI GLC n/a n/a
21 1CXE - GLC GLC GLC GLC n/a n/a
22 1KCK - GLC G6D ADH GLC n/a n/a
23 1OT2 - BGC GLC GLC GLC n/a n/a
24 1PEZ - BGC GLC n/a n/a
25 1CDG - MAL C12 H22 O11 C([C@@H]1[....
26 1QHP - MAL C12 H22 O11 C([C@@H]1[....
27 1QHO - MAL C12 H22 O11 C([C@@H]1[....
28 3BMW - GLC GLC G6D ACI GLC GLC GLC n/a n/a
29 5CGT - GLC C6 H12 O6 C([C@@H]1[....
30 9CGT - TM5 C30 H52 O23 S3 C([C@@H]1[....
31 8CGT - TM6 C36 H62 O28 S3 C([C@@H]1[....
32 1CGU - GLC GLC n/a n/a
33 3CGT - BCD C42 H70 O35 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GLC G6D ACI GLC; Similar ligands found: 146
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC ACI G6D BGC 1 1
2 GLC ACI GLD GLC 1 1
3 GLC G6D ADH GLC 1 1
4 GLC G6D ACI GLC 1 1
5 GLC GLC G6D ACI GLC GLC GLC 0.948052 1
6 AC1 GLC AC1 BGC 0.807229 0.954545
7 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.807229 0.954545
8 ACI GLD GLC ACI G6D BGC 0.807229 0.954545
9 BGC GLC AC1 GLC GLC GLC AC1 0.807229 0.954545
10 DAF GLC DAF GLC GLC 0.807229 0.954545
11 ACI G6D GLC ACI G6D BGC 0.807229 0.954545
12 DAF BGC 0.746835 1
13 DAF GLC 0.746835 1
14 ACI GLD GLC GAL 0.722892 1
15 DAF GLC GLC 0.722892 1
16 DAF BGC GLC 0.722892 1
17 BGC GLC DAF GLC GLC GLC DAF 0.680412 0.875
18 GLC ACI G6D GLC 0.5625 0.891304
19 GLC ACI GLD GAL 0.5625 0.891304
20 GAL BGC 0.547945 0.785714
21 BMA GAL 0.547945 0.785714
22 CBI 0.547945 0.785714
23 BMA BMA 0.547945 0.785714
24 LBT 0.547945 0.785714
25 GLC GAL 0.547945 0.785714
26 CBK 0.547945 0.785714
27 GLA GLA 0.547945 0.785714
28 MAB 0.547945 0.785714
29 MAL MAL 0.547945 0.767442
30 MAL 0.547945 0.785714
31 BGC BMA 0.547945 0.785714
32 BGC GAL 0.547945 0.785714
33 N9S 0.547945 0.785714
34 LAT 0.547945 0.785714
35 GLC BGC 0.547945 0.785714
36 BGC GLC 0.547945 0.785714
37 B2G 0.547945 0.785714
38 GAL GLC 0.547945 0.785714
39 GLA GAL 0.547945 0.785714
40 GLC GLC DAF BGC 0.54 0.891304
41 GLC GLC ACI G6D GLC GLC 0.54 0.891304
42 ACR GLC GLC GLC 0.54 0.891304
43 GLC GLC AGL HMC GLC 0.54 0.891304
44 BMA BMA BMA 0.519481 0.785714
45 CTR 0.519481 0.785714
46 BGC BGC BGC BGC BGC BGC 0.519481 0.785714
47 GLC GLC GLC GLC GLC 0.519481 0.785714
48 GLC BGC BGC 0.519481 0.785714
49 GLC GLC GLC GLC GLC GLC GLC GLC 0.519481 0.785714
50 BMA MAN BMA 0.519481 0.785714
51 MT7 0.519481 0.785714
52 GLC BGC BGC BGC BGC 0.519481 0.785714
53 MLR 0.519481 0.785714
54 BMA BMA BMA BMA BMA BMA 0.519481 0.785714
55 MTT 0.519481 0.785714
56 BGC GLC GLC 0.519481 0.785714
57 BGC GLC GLC GLC GLC GLC GLC 0.519481 0.785714
58 GAL GAL GAL 0.519481 0.785714
59 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.519481 0.785714
60 CEY 0.519481 0.785714
61 GLA GAL GLC 0.519481 0.785714
62 BGC BGC BGC GLC 0.519481 0.785714
63 BGC GLC GLC GLC 0.519481 0.785714
64 GLC BGC BGC BGC BGC BGC 0.519481 0.785714
65 MAN MAN BMA BMA BMA BMA 0.519481 0.785714
66 CE8 0.519481 0.785714
67 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.519481 0.785714
68 CT3 0.519481 0.785714
69 GLC GLC BGC GLC GLC GLC GLC 0.519481 0.785714
70 MAN BMA BMA 0.519481 0.785714
71 GLC GAL GAL 0.519481 0.785714
72 GLC GLC BGC 0.519481 0.785714
73 DXI 0.519481 0.785714
74 MAN BMA BMA BMA BMA 0.519481 0.785714
75 CTT 0.519481 0.785714
76 CE5 0.519481 0.785714
77 GLC GLC GLC GLC GLC GLC GLC 0.519481 0.785714
78 BMA BMA BMA BMA BMA 0.519481 0.785714
79 B4G 0.519481 0.785714
80 CEX 0.519481 0.785714
81 CE6 0.519481 0.785714
82 BGC GLC GLC GLC GLC 0.519481 0.785714
83 GLC BGC GLC 0.519481 0.785714
84 MAN BMA BMA BMA BMA BMA 0.5125 0.767442
85 BMA BMA BMA BMA BMA BMA MAN 0.5125 0.767442
86 FUC LAT 0.505882 0.809524
87 BGC GAL FUC 0.505882 0.809524
88 FUC GAL GLC 0.505882 0.809524
89 LAT FUC 0.505882 0.809524
90 GLC GAL FUC 0.505882 0.809524
91 ACR GLC GLC GLC GLC 0.494845 0.891304
92 ACR GLC 0.494845 0.891304
93 BGC GLA GAL FUC 0.494505 0.809524
94 GLA GAL GAL 0.487805 0.785714
95 GLA GAL BGC 0.487805 0.785714
96 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.480769 0.833333
97 BGC BGC BGC BGC BGC BGC BGC BGC 0.465116 0.785714
98 BGC BGC BGC BGC 0.465116 0.785714
99 ABD 0.463918 0.869565
100 GAL FUC 0.4625 0.785714
101 BMA BMA GLA BMA BMA 0.455556 0.785714
102 HSD G6D GLC HSD G6D GLC GLC 0.448598 0.854167
103 ACI G6D GLC ACI G6D GLC GLC 0.448598 0.854167
104 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.448598 0.854167
105 HSD G6D GLC HSD G6D GLC BGC 0.448598 0.854167
106 FUC BGC GAL 0.448276 0.809524
107 BGC BGC GLC 0.440476 0.785714
108 BGC BGC BGC XYS GAL 0.438776 0.75
109 GLC GLC BGC XYS BGC XYS 0.43299 0.75
110 TXT 0.43 0.931818
111 GAC 0.43 0.931818
112 GLC GLC GLC BGC 0.428571 0.785714
113 ARE 0.425926 0.851064
114 AAO 0.425926 0.851064
115 BGC BGC BGC XYS BGC BGC 0.424242 0.75
116 GLC GAL NAG GAL 0.424242 0.851064
117 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.424242 0.75
118 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.424242 0.75
119 AGL GLC HMC AGL GLC BGC 0.423423 0.833333
120 GLA EGA 0.421687 0.790698
121 GLC AGL GLC HMC 0.420561 0.833333
122 FUC GAL NAG GAL BGC 0.420561 0.833333
123 BGC GAL NAG GAL 0.418367 0.851064
124 LAT NAG GAL 0.418367 0.851064
125 GAL NAG GAL BGC 0.418367 0.851064
126 LAT GLA 0.417722 0.785714
127 GLA GAL NAG FUC GAL GLC 0.414414 0.833333
128 BGC BGC BGC XYS BGC XYS GAL 0.409524 0.75
129 GAL BGC BGC BGC XYS BGC XYS 0.409524 0.75
130 GLC GLC GLC G6D ADH GLC 0.409091 0.836735
131 GLC GLC GLC GLC GLC GLC 0.406593 0.785714
132 GLC GLC FRU 0.40625 0.702128
133 GAL BGC BGC XYS 0.40625 0.75
134 GLC GAL NAG GAL FUC FUC 0.405405 0.816327
135 BGC GAL NAG GAL FUC FUC 0.405405 0.816327
136 DEL 0.404762 0.767442
137 FUC GLA GLA 0.404494 0.809524
138 FUC GAL GLA 0.404494 0.809524
139 GAL GAL FUC 0.404494 0.809524
140 GLA GLA FUC 0.404494 0.809524
141 GLA GAL FUC 0.404494 0.809524
142 DR5 0.402439 0.790698
143 MMA MAN 0.402439 0.790698
144 BMA MAN MAN 0.402299 0.785714
145 GAL NGA GLA BGC GAL 0.401961 0.851064
146 NGA GAL BGC 0.4 0.851064
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 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2CXG; Ligand: GLC G6D ACI GLC; Similar sites found: 34
This union binding pocket(no: 1) in the query (biounit: 2cxg.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GDV BGC 0.00001852 0.41255 1.98413
2 3KLL MAL 0.0002898 0.43095 2.33236
3 5JBE GLC GLC GLC GLC GLC 0.0006181 0.41831 2.33236
4 1H8P PC 0.03958 0.40845 2.75229
5 2FHF GLC GLC GLC GLC 0.0001334 0.47345 3.35277
6 4IF4 BEF 0.0416 0.40191 5.76923
7 5CGM MAL 0.002896 0.45475 8.60058
8 3K8L CEY 0.0000004207 0.5877 10.3139
9 3K8L MT7 0.000003101 0.52614 10.3139
10 3UER BTU 0.000002187 0.6107 12.3664
11 2AF6 BRU 0.04951 0.40514 13.5659
12 3WY2 BGC 0.00001596 0.54185 18.7732
13 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.04798 0.40016 21.3115
14 1UA7 ACI GLD GLC ACI G6D BGC 0.00000004238 0.62332 22.5118
15 1PIG AGL GLC HMC AGL GLC BGC 0.0000001135 0.55883 22.7823
16 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.00002491 0.46899 23.0384
17 1VB9 GLC GLC GLC GLC GLC GLC 0.0000004379 0.46135 28.0342
18 1G94 DAF GLC DAF GLC GLC 0.0000001592 0.49814 29.2411
19 1JDC GLC GLC GLC GLC 0.0000088 0.43875 31.0023
20 1J0I GLC GLC GLC 0.0000001092 0.68563 32.483
21 3EDF ACX 0.00000004348 0.49823 32.7787
22 3EDF CE6 0.00000007181 0.49823 32.7787
23 1UH4 GLC GLC GLC 0.00000008044 0.51971 32.967
24 2GJP BGC GLC DAF GLC GLC GLC DAF 0.00002459 0.49934 33.4021
25 3VM7 GLC 0.0000001259 0.73074 33.9431
26 1LWJ ACG 0.0000008673 0.45383 36.2812
27 4W93 3L9 0.000000581 0.52232 36.6936
28 2D3N GLC GLC GLC GLC 0.00001661 0.485 36.9072
29 2D3N GLC GLC GLC GLC GLC GLC 0.00001492 0.48378 36.9072
30 2D3N GLC 0.00001225 0.48378 36.9072
31 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.00002023 0.47225 40.9938
32 2GVY GLC GLC 0.00000000008608 0.4757 43.5146
33 4E2O ACI G6D GLC ACI G6D BGC 0.000000000008356 0.84174 46.0352
34 5A2B MAL 0.00000000006723 0.48876 46.0765
Pocket No.: 2; Query (leader) PDB : 2CXG; 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: 2cxg.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2CXG; Ligand: GLC GLC GLC GLC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2cxg.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 2CXG; Ligand: GLC GLC; Similar sites found: 61
This union binding pocket(no: 4) in the query (biounit: 2cxg.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4ANW O92 0.01937 0.4207 1.16618
2 4S3R 7SA 0.02657 0.41991 1.58046
3 4QXR 1YE 0.03318 0.41198 1.59574
4 1XKV ATP 0.02166 0.40368 1.70132
5 4M0F 1YK 0.04451 0.40268 1.84502
6 3H4L ANP 0.013 0.42061 1.90736
7 4P32 ADP 0.02883 0.40746 2.00803
8 2X06 NAD 0.03344 0.40873 2.03488
9 4B74 1LH 0.01581 0.41938 2.1021
10 4NZ6 DGL 0.001723 0.43073 2.23642
11 5I35 ANP 0.02027 0.40098 2.29008
12 3MD0 GDP 0.01795 0.40137 2.53521
13 2ZX2 RAM 0.004752 0.42439 2.5641
14 2CWH NDP 0.004369 0.46026 2.62391
15 2CWH PYC 0.01125 0.4443 2.62391
16 5CEO 50D 0.007585 0.43119 2.66667
17 1EB1 ZAL PRO MMO 0.02636 0.41275 2.72374
18 1R37 NAD 0.02913 0.41997 2.88184
19 5DY5 5GR 0.01168 0.46236 2.96053
20 2BNF UTP 0.02129 0.40951 3.3195
21 2BNE U5P 0.02231 0.40311 3.3195
22 1VPV PLM 0.0337 0.40605 3.33333
23 1CR1 TTP 0.01527 0.41931 3.37838
24 4UP3 FAD 0.02081 0.4324 3.50318
25 1QF9 ALF 0.03546 0.41009 3.60825
26 1QF9 C5P 0.03546 0.41009 3.60825
27 1QF9 ADP 0.03546 0.41009 3.60825
28 3H86 AP5 0.02 0.4249 3.64583
29 1SQA UI1 0.0125 0.43789 3.67347
30 2NYR SVR 0.001676 0.52013 3.69004
31 2YYY NAP 0.0285 0.41154 3.79009
32 2VG1 FPP 0.02634 0.4085 3.94737
33 5DQ8 FLF 0.03444 0.40142 4.16667
34 1NE6 SP1 0.02116 0.40084 4.24028
35 5GLN XYS 0.03265 0.4023 4.36047
36 1V9N NDP 0.02223 0.42494 4.44444
37 4AGQ P96 0.01588 0.41276 4.56621
38 4YHB FAD 0.01059 0.43465 4.7619
39 2BKK ADP 0.01852 0.40176 4.92424
40 2B8T THM 0.02253 0.4045 5.38117
41 1TL2 NDG 0.004194 0.42993 6.35593
42 4FJU NAI 0.01419 0.4302 6.83761
43 5G41 AP5 0.04334 0.41865 7.17489
44 2P8O BVA 0.02258 0.40238 7.2165
45 1X9D SMD 0.004837 0.44236 7.80669
46 1QXA GLY GLY GLY 0.003942 0.41469 8.08511
47 2B4G FMN 0.03653 0.4056 9.14826
48 3L9R L9R 0.04594 0.402 10.2041
49 4K49 HFQ 0.02725 0.42149 10.2941
50 2XBP ATP 0.03727 0.40639 10.6195
51 2EC9 24X 0.0409 0.40051 10.6667
52 4SGA ACE PRO ALA PRO PHE 0.0234 0.40032 12.7072
53 3F5O UOC COA 0.04011 0.40101 14.1892
54 5L2J 70E 0.0448 0.42185 14.2857
55 5L2J 6UL 0.04292 0.42185 14.2857
56 1S5P LYS GLY GLY ALA ALY ARG HIS ARG 0.001588 0.46837 14.8936
57 3KOX Z98 0.02028 0.40758 15.7025
58 1OE0 TTP 0.01127 0.43518 18.6957
59 3VXE DPN PRO ARG 0.01487 0.41745 29.4118
60 1JDC GLC GLC GLC GLC 0.01844 0.41364 31.0023
61 1TMT DPN PRO ARG 0.007665 0.43228 33.3333
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