Receptor
PDB id Resolution Class Description Source Keywords
4M1U 1.56 Å EC: 3.2.2.22 THE CRYSTAL STRUCTURE OF STX2 AND A DISACCHARIDE LIGAND ESCHERICHIA COLI O157:H7 RRNA N-GLYCOSYLASE HYDROLASE
Ref.: THE CRYSTAL STRUCTURE OF SHIGA TOXIN TYPE 2 WITH BO DISACCHARIDE GUIDES THE DESIGN OF A HETEROBIFUNCTIO INHIBITOR. J.BIOL.CHEM. V. 289 885 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
A2G MBG F:101;
Valid;
none;
submit data
397.377 n/a O=C(N...
1PS C:101;
B:101;
D:101;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
201.243 C8 H11 N O3 S c1cc[...
MBG A2G F:103;
Valid;
none;
submit data
397.377 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4M1U 1.56 Å EC: 3.2.2.22 THE CRYSTAL STRUCTURE OF STX2 AND A DISACCHARIDE LIGAND ESCHERICHIA COLI O157:H7 RRNA N-GLYCOSYLASE HYDROLASE
Ref.: THE CRYSTAL STRUCTURE OF SHIGA TOXIN TYPE 2 WITH BO DISACCHARIDE GUIDES THE DESIGN OF A HETEROBIFUNCTIO INHIBITOR. J.BIOL.CHEM. V. 289 885 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 13 families.
1 2GA4 - ADE C5 H5 N5 c1[nH]c2c(....
2 4M1U - MBG A2G n/a n/a
3 1R4P - 1PS C8 H11 N O3 S c1cc[n+](c....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2GA4 - ADE C5 H5 N5 c1[nH]c2c(....
2 4M1U - MBG A2G n/a n/a
3 1R4P - 1PS C8 H11 N O3 S c1cc[n+](c....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2GA4 - ADE C5 H5 N5 c1[nH]c2c(....
2 4M1U - MBG A2G n/a n/a
3 1R4P - 1PS C8 H11 N O3 S c1cc[n+](c....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: A2G MBG; Similar ligands found: 207
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G MBG 1 1
2 MBG A2G 1 1
3 NGA GAL BGC 0.701493 0.957447
4 NAG MBG 0.671875 1
5 NAG GDL 0.646154 0.938776
6 CBS 0.646154 0.938776
7 CBS CBS 0.646154 0.938776
8 NAG NDG 0.646154 0.938776
9 NDG NAG NAG NDG NAG 0.632353 0.92
10 NAG NAG NAG NDG 0.632353 0.92
11 NDG NAG NAG 0.632353 0.92
12 NAG NAG NAG NAG NAG 0.632353 0.92
13 NAG NAG NAG NAG NDG 0.632353 0.92
14 NAG NAG NDG 0.632353 0.92
15 NAG NAG NAG 0.632353 0.92
16 NDG NAG NAG NAG 0.632353 0.92
17 NAG NAG NAG NAG NDG NAG 0.632353 0.92
18 CTO 0.632353 0.92
19 NDG NAG NAG NDG 0.632353 0.92
20 NAG NAG NAG NAG NAG NAG NAG NAG 0.632353 0.92
21 NAG NAG NAG NAG NAG NAG 0.632353 0.92
22 NAG NAG NAG NAG 0.632353 0.92
23 2F8 0.62069 0.93617
24 MAG 0.62069 0.93617
25 MAN NAG 0.615385 0.957447
26 NAG MAN MMA 0.611111 1
27 GAL NAG 0.606061 0.957447
28 NAG GAL 0.606061 0.957447
29 NGA GAL 0.606061 0.957447
30 DR5 0.6 0.744681
31 MMA MAN 0.6 0.744681
32 NGA GLA GAL BGC 0.597403 0.957447
33 DLD 0.592105 0.779661
34 NAG NAG 0.585714 0.849057
35 NAG AMU NAG AMV 0.580247 0.921569
36 NAG NGO 0.575342 0.867925
37 NAG A2G 0.573529 0.938776
38 NAG NGA 0.573529 0.938776
39 NAG NM9 0.573333 0.921569
40 NAG GAL BGC 0.573333 0.957447
41 6Y2 0.5625 0.707692
42 NDG NAG 0.557143 0.92
43 NGT NAG 0.545455 0.779661
44 NOJ NAG NAG NAG 0.544304 0.821429
45 NOJ NAG NAG 0.544304 0.836364
46 3PV 0.535714 0.94
47 NAG GAL NAG 0.532468 0.938776
48 GN1 0.53125 0.724138
49 NG1 0.53125 0.724138
50 NAG NAG NGT 0.52439 0.766667
51 MMA MAN NAG MAN NAG NAG 0.52381 0.94
52 3QL 0.52 0.867925
53 A2G GLA FUC 0.519481 0.978723
54 A2G GAL FUC 0.519481 0.978723
55 NGA GAL FUC 0.519481 0.978723
56 FUC GAL A2G 0.519481 0.978723
57 FUC GLA A2G 0.519481 0.978723
58 FUC GL0 A2G 0.519481 0.978723
59 NAG MUB 0.518987 0.901961
60 NAG AMU 0.518987 0.901961
61 NAG NAG NAG NAG NAG NAG NAG 0.518072 0.836364
62 3YW 0.514706 0.875
63 GAL NAG MAN 0.513158 0.957447
64 MAN NAG GAL 0.513158 0.957447
65 MAN MAN NAG 0.512821 0.918367
66 A2G GAL BGC FUC 0.511628 0.978723
67 GUM 0.511364 0.807018
68 WZ5 0.511364 1
69 NAG MAN MAN 0.506329 0.957447
70 NAG MAN BMA 0.506329 0.957447
71 AO3 0.505747 0.723077
72 UMG 0.5 0.807018
73 MA8 0.493151 0.811321
74 NAA NAA AMI 0.488889 0.691176
75 FUC BGC GAL NAG 0.488372 0.978723
76 GLC GAL NAG GAL 0.487805 0.957447
77 GAL MGC 0.485714 1
78 BGC FUC GAL FUC A2G 0.482759 0.958333
79 GLC FUC GAL FUC A2G 0.482759 0.958333
80 NAG MAN MAN MAN NAG 0.482353 0.938776
81 AH0 NAG 0.481481 0.836364
82 NAG NAG BMA 0.481481 0.867925
83 NAG NDG BMA 0.481481 0.867925
84 SN5 SN5 0.479452 0.807692
85 A2G GAL NAG FUC 0.477273 0.92
86 NAG GAL GAL NAG GAL 0.47561 0.938776
87 GYU 0.472222 0.77193
88 TNR 0.472222 0.826923
89 LEC NGA 0.470588 0.707692
90 VAM 0.470588 0.7
91 NAG AH0 0.470588 0.836364
92 GAL NAG GAL 0.469136 0.918367
93 CTO TMX 0.469136 0.810345
94 TCG 0.469136 0.810345
95 NAG NAG BMA MAN NAG 0.46875 0.851852
96 NAG GCU NAG GCU NAG GCU 5AX 0.465909 0.901961
97 NAG BDP NAG BDP NAG BDP NAG 0.465909 0.901961
98 8VZ 0.464789 0.92
99 NLC 0.464789 0.957447
100 GAL NDG 0.464789 0.957447
101 NDG GAL 0.464789 0.957447
102 MGL SGC GLC GLC 0.4625 0.7
103 BGC BGC SGC MGL 0.4625 0.7
104 GAL NGA GLA BGC GAL 0.458824 0.957447
105 GAL NAG GAL NAG GAL NAG 0.457831 0.92
106 NAG GAL GAL NAG 0.457831 0.938776
107 NAG GDL PHJ 0.457447 0.741935
108 BGA 0.455556 0.821429
109 NDG BDP BDP NPO NDG 0.454545 0.707692
110 NAG BMA NAG MAN MAN NAG NAG 0.453608 0.92
111 GAL BGC NAG GAL 0.451219 0.957447
112 NAG GAL FUC FUC A2G 0.450549 0.92
113 FUC GAL NAG A2G FUC 0.450549 0.92
114 LAT NAG GAL 0.445783 0.957447
115 GAL NAG GAL BGC 0.445783 0.957447
116 BGC GAL NAG GAL 0.445783 0.957447
117 GLC GAL NAG GAL FUC A2G 0.444444 0.92
118 A2G GAL NAG FUC GAL GLC 0.444444 0.92
119 WZ4 0.441176 0.94
120 MAG FUC GAL 0.4375 0.979167
121 NA1 NAA AMI 0.4375 0.712121
122 NAG NAG BMA BMA 0.436782 0.87037
123 6ZC 0.435897 0.661538
124 LEC 0.435897 0.661538
125 NAG MAN BMA NDG MAN NAG GAL 0.435644 0.92
126 FUC GAL MAG FUC 0.433735 0.979167
127 NAG NAG BMA MAN 0.433333 0.867925
128 MBG 0.431034 0.680851
129 AMG 0.431034 0.680851
130 MMA 0.431034 0.680851
131 GYP 0.431034 0.680851
132 LAT GLA 0.430769 0.702128
133 GLC SGC SGC MGL 0.426829 0.7
134 NAG MAN GAL MAN MAN NAG GAL 0.425532 0.938776
135 GYT 0.425 0.766667
136 A2G GAL 0.424658 0.957447
137 GAL A2G 0.424658 0.957447
138 GAL NGA 0.424658 0.957447
139 GAL NGA A2G 0.423077 0.92
140 NAG NAG BMA MAN MAN NAG NAG 0.423077 0.851852
141 M5G 0.417476 0.938776
142 SN5 NGT 0.416667 0.7
143 FUC GAL NDG 0.414634 0.978723
144 NDG GAL FUC 0.414634 0.978723
145 DR2 0.414634 0.978723
146 FUC GAL NAG 0.414634 0.978723
147 FUL GAL NAG 0.414634 0.978723
148 GLA EGA 0.414286 0.708333
149 HSQ 0.412698 0.851064
150 A2G 0.412698 0.851064
151 NDG 0.412698 0.851064
152 NAG 0.412698 0.851064
153 NGA 0.412698 0.851064
154 BM3 0.412698 0.851064
155 GLA GAL NAG 0.4125 0.957447
156 NAG GAL GAL 0.4125 0.957447
157 GTM BGC BGC 0.4125 0.7
158 MAN BMA NAG 0.4125 0.957447
159 NAG NAG BMA MAN MAN 0.410526 0.938776
160 MAN MAN NAG MAN NAG 0.410526 0.938776
161 FUC BGC GAL NAG GAL 0.410526 0.978723
162 GLA MBG 0.409091 0.744681
163 NAG BMA 0.407895 0.862745
164 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.40625 0.94
165 SIA GAL NGA 0.405941 0.867925
166 SN5 SN5 NGT 0.404494 0.7
167 NAG MU2 0.401961 0.821429
168 GLC GLC BGC GLC GLC GLC GLC 0.4 0.702128
169 MAN BMA BMA 0.4 0.702128
170 CE8 0.4 0.702128
171 BGC GLC GLC GLC 0.4 0.702128
172 GLC GLC GLC GLC GLC GLC GLC 0.4 0.702128
173 BGC BGC BGC GLC 0.4 0.702128
174 BGC GLC GLC 0.4 0.702128
175 GLA GAL GLC 0.4 0.702128
176 B4G 0.4 0.702128
177 MAN BMA BMA BMA BMA 0.4 0.702128
178 BMA BMA BMA BMA BMA 0.4 0.702128
179 GLC BGC GLC 0.4 0.702128
180 CEX 0.4 0.702128
181 GLC GLC BGC 0.4 0.702128
182 BGC GLC GLC GLC GLC 0.4 0.702128
183 GLC GAL GAL 0.4 0.702128
184 MAN MAN BMA BMA BMA BMA 0.4 0.702128
185 CT3 0.4 0.702128
186 CE6 0.4 0.702128
187 BMA BMA BMA 0.4 0.702128
188 GLC GLC GLC GLC GLC 0.4 0.702128
189 BMA BMA BMA BMA BMA BMA 0.4 0.702128
190 CE5 0.4 0.702128
191 MLR 0.4 0.702128
192 GLC BGC BGC BGC BGC 0.4 0.702128
193 MT7 0.4 0.702128
194 GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.702128
195 GLC BGC BGC 0.4 0.702128
196 MTT 0.4 0.702128
197 BMA MAN BMA 0.4 0.702128
198 BGC BGC BGC BGC BGC BGC 0.4 0.702128
199 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.702128
200 GLC BGC BGC BGC BGC BGC 0.4 0.702128
201 DXI 0.4 0.702128
202 CTT 0.4 0.702128
203 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.702128
204 CTR 0.4 0.702128
205 GAL GAL GAL 0.4 0.702128
206 BGC GLC GLC GLC GLC GLC GLC 0.4 0.702128
207 CEY 0.4 0.702128
Ligand no: 2; Ligand: MBG A2G; Similar ligands found: 207
No: Ligand ECFP6 Tc MDL keys Tc
1 A2G MBG 1 1
2 MBG A2G 1 1
3 NGA GAL BGC 0.701493 0.957447
4 NAG MBG 0.671875 1
5 NAG GDL 0.646154 0.938776
6 CBS 0.646154 0.938776
7 CBS CBS 0.646154 0.938776
8 NAG NDG 0.646154 0.938776
9 NDG NAG NAG NDG NAG 0.632353 0.92
10 NAG NAG NAG NDG 0.632353 0.92
11 NDG NAG NAG 0.632353 0.92
12 NAG NAG NAG NAG NAG 0.632353 0.92
13 NAG NAG NAG NAG NDG 0.632353 0.92
14 NAG NAG NDG 0.632353 0.92
15 NAG NAG NAG 0.632353 0.92
16 NDG NAG NAG NAG 0.632353 0.92
17 NAG NAG NAG NAG NDG NAG 0.632353 0.92
18 CTO 0.632353 0.92
19 NDG NAG NAG NDG 0.632353 0.92
20 NAG NAG NAG NAG NAG NAG NAG NAG 0.632353 0.92
21 NAG NAG NAG NAG NAG NAG 0.632353 0.92
22 NAG NAG NAG NAG 0.632353 0.92
23 2F8 0.62069 0.93617
24 MAG 0.62069 0.93617
25 MAN NAG 0.615385 0.957447
26 NAG MAN MMA 0.611111 1
27 GAL NAG 0.606061 0.957447
28 NAG GAL 0.606061 0.957447
29 NGA GAL 0.606061 0.957447
30 DR5 0.6 0.744681
31 MMA MAN 0.6 0.744681
32 NGA GLA GAL BGC 0.597403 0.957447
33 DLD 0.592105 0.779661
34 NAG NAG 0.585714 0.849057
35 NAG AMU NAG AMV 0.580247 0.921569
36 NAG NGO 0.575342 0.867925
37 NAG A2G 0.573529 0.938776
38 NAG NGA 0.573529 0.938776
39 NAG NM9 0.573333 0.921569
40 NAG GAL BGC 0.573333 0.957447
41 6Y2 0.5625 0.707692
42 NDG NAG 0.557143 0.92
43 NGT NAG 0.545455 0.779661
44 NOJ NAG NAG NAG 0.544304 0.821429
45 NOJ NAG NAG 0.544304 0.836364
46 3PV 0.535714 0.94
47 NAG GAL NAG 0.532468 0.938776
48 GN1 0.53125 0.724138
49 NG1 0.53125 0.724138
50 NAG NAG NGT 0.52439 0.766667
51 MMA MAN NAG MAN NAG NAG 0.52381 0.94
52 3QL 0.52 0.867925
53 A2G GLA FUC 0.519481 0.978723
54 A2G GAL FUC 0.519481 0.978723
55 NGA GAL FUC 0.519481 0.978723
56 FUC GAL A2G 0.519481 0.978723
57 FUC GLA A2G 0.519481 0.978723
58 FUC GL0 A2G 0.519481 0.978723
59 NAG MUB 0.518987 0.901961
60 NAG AMU 0.518987 0.901961
61 NAG NAG NAG NAG NAG NAG NAG 0.518072 0.836364
62 3YW 0.514706 0.875
63 GAL NAG MAN 0.513158 0.957447
64 MAN NAG GAL 0.513158 0.957447
65 MAN MAN NAG 0.512821 0.918367
66 A2G GAL BGC FUC 0.511628 0.978723
67 GUM 0.511364 0.807018
68 WZ5 0.511364 1
69 NAG MAN MAN 0.506329 0.957447
70 NAG MAN BMA 0.506329 0.957447
71 AO3 0.505747 0.723077
72 UMG 0.5 0.807018
73 MA8 0.493151 0.811321
74 NAA NAA AMI 0.488889 0.691176
75 FUC BGC GAL NAG 0.488372 0.978723
76 GLC GAL NAG GAL 0.487805 0.957447
77 GAL MGC 0.485714 1
78 BGC FUC GAL FUC A2G 0.482759 0.958333
79 GLC FUC GAL FUC A2G 0.482759 0.958333
80 NAG MAN MAN MAN NAG 0.482353 0.938776
81 AH0 NAG 0.481481 0.836364
82 NAG NAG BMA 0.481481 0.867925
83 NAG NDG BMA 0.481481 0.867925
84 SN5 SN5 0.479452 0.807692
85 A2G GAL NAG FUC 0.477273 0.92
86 NAG GAL GAL NAG GAL 0.47561 0.938776
87 GYU 0.472222 0.77193
88 TNR 0.472222 0.826923
89 LEC NGA 0.470588 0.707692
90 VAM 0.470588 0.7
91 NAG AH0 0.470588 0.836364
92 GAL NAG GAL 0.469136 0.918367
93 CTO TMX 0.469136 0.810345
94 TCG 0.469136 0.810345
95 NAG NAG BMA MAN NAG 0.46875 0.851852
96 NAG GCU NAG GCU NAG GCU 5AX 0.465909 0.901961
97 NAG BDP NAG BDP NAG BDP NAG 0.465909 0.901961
98 8VZ 0.464789 0.92
99 NLC 0.464789 0.957447
100 GAL NDG 0.464789 0.957447
101 NDG GAL 0.464789 0.957447
102 MGL SGC GLC GLC 0.4625 0.7
103 BGC BGC SGC MGL 0.4625 0.7
104 GAL NGA GLA BGC GAL 0.458824 0.957447
105 GAL NAG GAL NAG GAL NAG 0.457831 0.92
106 NAG GAL GAL NAG 0.457831 0.938776
107 NAG GDL PHJ 0.457447 0.741935
108 BGA 0.455556 0.821429
109 NDG BDP BDP NPO NDG 0.454545 0.707692
110 NAG BMA NAG MAN MAN NAG NAG 0.453608 0.92
111 GAL BGC NAG GAL 0.451219 0.957447
112 NAG GAL FUC FUC A2G 0.450549 0.92
113 FUC GAL NAG A2G FUC 0.450549 0.92
114 LAT NAG GAL 0.445783 0.957447
115 GAL NAG GAL BGC 0.445783 0.957447
116 BGC GAL NAG GAL 0.445783 0.957447
117 GLC GAL NAG GAL FUC A2G 0.444444 0.92
118 A2G GAL NAG FUC GAL GLC 0.444444 0.92
119 WZ4 0.441176 0.94
120 MAG FUC GAL 0.4375 0.979167
121 NA1 NAA AMI 0.4375 0.712121
122 NAG NAG BMA BMA 0.436782 0.87037
123 6ZC 0.435897 0.661538
124 LEC 0.435897 0.661538
125 NAG MAN BMA NDG MAN NAG GAL 0.435644 0.92
126 FUC GAL MAG FUC 0.433735 0.979167
127 NAG NAG BMA MAN 0.433333 0.867925
128 MBG 0.431034 0.680851
129 AMG 0.431034 0.680851
130 MMA 0.431034 0.680851
131 GYP 0.431034 0.680851
132 LAT GLA 0.430769 0.702128
133 GLC SGC SGC MGL 0.426829 0.7
134 NAG MAN GAL MAN MAN NAG GAL 0.425532 0.938776
135 GYT 0.425 0.766667
136 A2G GAL 0.424658 0.957447
137 GAL A2G 0.424658 0.957447
138 GAL NGA 0.424658 0.957447
139 GAL NGA A2G 0.423077 0.92
140 NAG NAG BMA MAN MAN NAG NAG 0.423077 0.851852
141 M5G 0.417476 0.938776
142 SN5 NGT 0.416667 0.7
143 FUC GAL NDG 0.414634 0.978723
144 NDG GAL FUC 0.414634 0.978723
145 DR2 0.414634 0.978723
146 FUC GAL NAG 0.414634 0.978723
147 FUL GAL NAG 0.414634 0.978723
148 GLA EGA 0.414286 0.708333
149 HSQ 0.412698 0.851064
150 A2G 0.412698 0.851064
151 NDG 0.412698 0.851064
152 NAG 0.412698 0.851064
153 NGA 0.412698 0.851064
154 BM3 0.412698 0.851064
155 GLA GAL NAG 0.4125 0.957447
156 NAG GAL GAL 0.4125 0.957447
157 GTM BGC BGC 0.4125 0.7
158 MAN BMA NAG 0.4125 0.957447
159 NAG NAG BMA MAN MAN 0.410526 0.938776
160 MAN MAN NAG MAN NAG 0.410526 0.938776
161 FUC BGC GAL NAG GAL 0.410526 0.978723
162 GLA MBG 0.409091 0.744681
163 NAG BMA 0.407895 0.862745
164 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.40625 0.94
165 SIA GAL NGA 0.405941 0.867925
166 SN5 SN5 NGT 0.404494 0.7
167 NAG MU2 0.401961 0.821429
168 GLC GLC BGC GLC GLC GLC GLC 0.4 0.702128
169 MAN BMA BMA 0.4 0.702128
170 CE8 0.4 0.702128
171 BGC GLC GLC GLC 0.4 0.702128
172 GLC GLC GLC GLC GLC GLC GLC 0.4 0.702128
173 BGC BGC BGC GLC 0.4 0.702128
174 BGC GLC GLC 0.4 0.702128
175 GLA GAL GLC 0.4 0.702128
176 B4G 0.4 0.702128
177 MAN BMA BMA BMA BMA 0.4 0.702128
178 BMA BMA BMA BMA BMA 0.4 0.702128
179 GLC BGC GLC 0.4 0.702128
180 CEX 0.4 0.702128
181 GLC GLC BGC 0.4 0.702128
182 BGC GLC GLC GLC GLC 0.4 0.702128
183 GLC GAL GAL 0.4 0.702128
184 MAN MAN BMA BMA BMA BMA 0.4 0.702128
185 CT3 0.4 0.702128
186 CE6 0.4 0.702128
187 BMA BMA BMA 0.4 0.702128
188 GLC GLC GLC GLC GLC 0.4 0.702128
189 BMA BMA BMA BMA BMA BMA 0.4 0.702128
190 CE5 0.4 0.702128
191 MLR 0.4 0.702128
192 GLC BGC BGC BGC BGC 0.4 0.702128
193 MT7 0.4 0.702128
194 GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.702128
195 GLC BGC BGC 0.4 0.702128
196 MTT 0.4 0.702128
197 BMA MAN BMA 0.4 0.702128
198 BGC BGC BGC BGC BGC BGC 0.4 0.702128
199 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.4 0.702128
200 GLC BGC BGC BGC BGC BGC 0.4 0.702128
201 DXI 0.4 0.702128
202 CTT 0.4 0.702128
203 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.4 0.702128
204 CTR 0.4 0.702128
205 GAL GAL GAL 0.4 0.702128
206 BGC GLC GLC GLC GLC GLC GLC 0.4 0.702128
207 CEY 0.4 0.702128
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4M1U; Ligand: A2G MBG; Similar sites found: 87
This union binding pocket(no: 1) in the query (biounit: 4m1u.bio1) has 10 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZW2 GLA NAG GAL FUC 0.007431 0.43291 None
2 3ZW2 GAL FUC 0.007809 0.42778 None
3 3ZW2 NAG GAL FUC 0.01136 0.41991 None
4 1SWG BTN 0.005129 0.43263 1.5625
5 2VHW NAI 0.01718 0.42876 1.6835
6 4P7X AKG 0.006108 0.42181 2.05479
7 3QP8 HL0 0.007798 0.41745 2.17391
8 2G30 ALA ALA PHE 0.001058 0.41037 2.32558
9 5HES 032 0.02589 0.40681 2.6936
10 3SCH TB6 0.004259 0.42398 2.85714
11 3NV3 GAL NAG MAN 0.001114 0.43368 3.62319
12 1UW1 ADP 0.001251 0.46226 3.75
13 4MLO PAM 0.007909 0.41867 3.98551
14 4LIT AKG 0.006608 0.4156 4.28571
15 4X17 SIA SIA 0.0001014 0.41353 4.28571
16 4X17 SIA 0.0001158 0.40463 4.28571
17 1A78 TDG 0.006154 0.40153 4.47761
18 2FB3 GTP 0.0005897 0.4901 4.7138
19 5T0B SIA GAL NAG 0.01342 0.41955 5
20 4XP7 FNR 0.02376 0.40381 5.05051
21 2P7Q GG6 0.0006612 0.46798 5.26316
22 1BB6 UMG 0.0002832 0.5186 5.42636
23 4YEF 4CQ 0.0003135 0.48172 5.61798
24 4POS NAG SIA GAL 0.0001467 0.41854 6.11511
25 1Z0N BCD 0.0001994 0.45268 6.25
26 5H9Q TD2 0.003131 0.41159 6.45161
27 1Y0G 8PP 0.003579 0.46491 7.14286
28 5DG2 GAL GLC 0.0004468 0.45548 7.14286
29 4MJ0 SIA SIA GAL 0.0006256 0.43315 7.14286
30 4MJ0 BGC SIA SIA GAL 0.000648 0.43257 7.14286
31 1WG8 SAM 0.01351 0.42454 7.14286
32 2JEN GLC GLC BGC XYS BGC XYS 0.008742 0.42295 7.14286
33 2AE2 NAP 0.0243 0.42116 7.14286
34 4MJ0 SIA SIA 0.000859 0.4178 7.14286
35 3PT9 SAH 0.01678 0.41778 7.14286
36 2X4Z X4Z 0.02908 0.40369 7.14286
37 3FYP PEP 0.01379 0.40125 7.14286
38 1C1L GAL BGC 0.00526 0.40201 7.29927
39 3UDG TMP 0.0008989 0.47155 7.40741
40 3ZXE PGZ 0.003894 0.42002 7.5188
41 1MDC PLM 0.009044 0.42119 7.57576
42 3E7O 35F 0.01001 0.43363 7.74411
43 2Q2V NAD 0.00333 0.45798 8.57143
44 1GP6 QUE 0.003761 0.45256 8.57143
45 1GP6 SIN 0.003536 0.45256 8.57143
46 4MBY BGC SIA GAL 0.0004345 0.4198 8.57143
47 1PJS NAD 0.01599 0.41824 8.57143
48 2OEG UPG 0.01058 0.41507 8.57143
49 2DKH 3HB 0.04307 0.40685 8.57143
50 3MJE NDP 0.02164 0.40526 8.57143
51 2WA4 069 0.000254 0.40381 8.57143
52 1I82 BGC BGC 0.000195 0.44296 9.52381
53 3WG3 A2G GAL NAG FUC 0.0005328 0.42568 9.55056
54 3AFN NAP 0.01294 0.41759 9.68992
55 3M3E GAL A2G NPO 0.003686 0.41147 9.93789
56 1ZM1 BGC BGC BGC 0.0001756 0.50201 10
57 3HQP ATP 0.006423 0.41851 10
58 4W93 3L9 0.02255 0.41484 10
59 5T7I LAT NAG GAL 0.001342 0.41 10
60 4O8A FAD 0.04646 0.40496 10
61 1BHX ASP PHE GLU GLU ILE 0.0002122 0.41266 10.2041
62 1IS3 LAT 0.003434 0.42632 11.4286
63 2Z93 END 0.01169 0.41985 11.4286
64 1M15 ARG 0.02603 0.40242 11.4286
65 1M15 ADP 0.02603 0.40242 11.4286
66 4PIV NDP 0.01017 0.43946 12.8571
67 1Y52 BTN 0.02376 0.42823 13.4921
68 4K55 H6P 0.001933 0.43275 13.7097
69 5LRT ADP 0.01037 0.42617 14.1414
70 4Q4K FMN 0.01089 0.42734 14.2857
71 3WV6 GAL BGC 0.002233 0.42127 14.2857
72 3WV6 GAL GLC 0.001404 0.41172 14.2857
73 1LR8 IHS 0.0001718 0.48326 15.7143
74 4GLL NAD 0.01771 0.43268 15.7143
75 2IRY DGT 0.01239 0.41606 15.7143
76 2D6M LBT 0.001169 0.44005 16.9811
77 4Q0L V14 0.01267 0.42002 17.1429
78 2APC UDM 0.03136 0.41304 17.1429
79 2YMZ LAT 0.001839 0.41137 17.1429
80 5JSP DQY 0.001136 0.41297 18.5714
81 4HVK PMP 0.007191 0.40081 20
82 3VV1 GAL FUC 0.003204 0.41459 21.25
83 1NCQ W11 0.01879 0.40694 21.4286
84 1J3R 6PG 0.000234 0.50496 22.8571
85 1REQ DCA 0.01921 0.42148 30
86 2A4W BLM 0.01453 0.41262 31.1594
87 1MJJ HAL 0.006192 0.43129 31.4286
Pocket No.: 2; Query (leader) PDB : 4M1U; Ligand: MBG A2G; Similar sites found: 45
This union binding pocket(no: 2) in the query (biounit: 4m1u.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2FKA BEF 0.00458 0.45348 None
2 1MAI I3P 0.04044 0.40458 None
3 3FGZ BEF 0.01516 0.40567 1.5625
4 5NCF 8T5 0.03201 0.40133 1.76991
5 2G30 ALA ALA PHE 0.003914 0.41245 2.32558
6 5M6M 7H8 0.01628 0.41233 3.7037
7 4X17 SIA SIA 0.01451 0.4068 4.28571
8 4YEF 4CQ 0.001274 0.48569 5.61798
9 5A07 GDP 0.01092 0.41682 5.71429
10 4WOE ADP 0.02608 0.40634 5.71429
11 1C3X 8IG 0.02349 0.40662 6.39098
12 5H9Q TD2 0.005933 0.41919 6.45161
13 1ULE GLA GAL NAG 0.008516 0.42357 6.66667
14 5LUB 3Y7 0.0076 0.43772 7.14286
15 4MJ0 BGC SIA SIA GAL 0.01028 0.43006 7.14286
16 4MJ0 SIA SIA 0.01909 0.41518 7.14286
17 1BC5 ACE ASN TRP GLU THR PHE 0.02271 0.40496 7.14286
18 4RDN 6MD 0.03062 0.40414 7.14286
19 3BWR GAL NGA SIA GAL BGC 0.03139 0.40178 7.14286
20 4FFG 0U8 0.03224 0.40117 7.14286
21 3UDG TMP 0.004778 0.46893 7.40741
22 4Y24 TD2 0.02126 0.40247 7.79221
23 4YLZ LAT NAG GAL 0.01407 0.42191 7.84314
24 3CM2 X23 0.0114 0.42478 8.46154
25 4NON GDP 0.01655 0.40788 8.57143
26 4MBY BGC SIA GAL 0.02936 0.40331 8.57143
27 5F6U 5VK 0.01728 0.40881 9.55414
28 4RDL FUC GAL NDG FUC 0.009085 0.4316 10
29 5C83 4YN 0.02056 0.40717 10
30 4LED XXR 0.02939 0.40018 10
31 4IAW LIZ 0.02216 0.40551 10.1064
32 1WK8 VMS 0.0229 0.40087 11.4286
33 2VSL MAA LYS PRO PHE 0.02379 0.40394 11.4583
34 1GPM AMP 0.001336 0.47809 11.7845
35 4YVN EBS 0.01635 0.41974 12.8571
36 3DWQ NGC GAL NGA POL AZI 0.02077 0.41215 13.4921
37 5FUI APY 0.004375 0.43304 13.6364
38 1L5Y BEF 0.006801 0.42845 14.2857
39 1LR8 IHS 0.0007922 0.48326 15.7143
40 3ZF8 GDP 0.01441 0.41086 15.7143
41 5KJW 53C 0.01147 0.42865 17.1429
42 3HNB 768 0.03925 0.4097 18.5714
43 3IWD M2T 0.01974 0.41081 20.9677
44 1UMZ BGC BGC XYS BGC XYS GAL 0.02129 0.4064 34.2857
45 2AJH MET 0.01693 0.42165 40
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