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Receptor
PDB id Resolution Class Description Source Keywords
2GNB 2.27 Å NON-ENZYME: BINDING EDTA-TREATED (2 WEEKS) P. ANGOLENSIS LECTIN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN EDTA TREATMENT SUGAR COMPMANNOSE BETA SANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOME IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STU ANGOLENSIS LECTIN. J.MOL.BIOL. V. 361 153 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN A:300;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GNB 2.27 Å NON-ENZYME: BINDING EDTA-TREATED (2 WEEKS) P. ANGOLENSIS LECTIN PTEROCARPUS ANGOLENSIS LEGUME LECTIN METAL-FREE LECTIN EDTA TREATMENT SUGAR COMPMANNOSE BETA SANDWICH SUGAR BINDING PROTEIN
Ref.: INTERPLAY BETWEEN METAL BINDING AND CIS/TRANS ISOME IN LEGUME LECTINS: STRUCTURAL AND THERMODYNAMIC STU ANGOLENSIS LECTIN. J.MOL.BIOL. V. 361 153 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 2GNB - MAN C6 H12 O6 C([C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 2GNB - MAN C6 H12 O6 C([C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 2GNB - MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN; Similar ligands found: 142
No: Ligand ECFP6 Tc MDL keys Tc
1 WOO 1 1
2 GLC 1 1
3 BGC 1 1
4 ALL 1 1
5 BMA 1 1
6 GXL 1 1
7 GIV 1 1
8 GAL 1 1
9 MAN 1 1
10 GLA 1 1
11 Z6J 0.653846 0.866667
12 32O 0.653846 0.866667
13 RIB 0.653846 0.866667
14 FUB 0.653846 0.866667
15 AHR 0.653846 0.866667
16 MLB 0.511628 0.848485
17 GLC GLC 0.511628 0.848485
18 BGC GLC 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 BMA GLA 0.511628 0.848485
23 GLA BGC 0.511628 0.848485
24 MAN MAN 0.511628 0.848485
25 GLA GLC 0.511628 0.848485
26 BMA MAN 0.511628 0.848485
27 GAL GLC 0.511628 0.848485
28 GAL GAL 0.511628 0.848485
29 LAK 0.511628 0.848485
30 GLC BGC 0.511628 0.848485
31 YDR 0.5 0.8
32 GLC GLC GLC GLC BGC 0.488889 0.848485
33 GLC GLC GLC 0.488889 0.848485
34 MAN MAN MAN 0.488889 0.848485
35 BMA MAN MAN 0.488889 0.848485
36 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
37 EMZ 0.472222 0.794118
38 BG6 0.461538 0.675
39 BGP 0.461538 0.675
40 G6P 0.461538 0.675
41 M6P 0.461538 0.675
42 M6D 0.461538 0.675
43 A6P 0.461538 0.675
44 GAF 0.457143 0.875
45 SHG 0.457143 0.875
46 2FG 0.457143 0.875
47 G2F 0.457143 0.875
48 2H5 0.457143 0.875
49 GCS 0.457143 0.777778
50 1GN 0.457143 0.777778
51 X6X 0.457143 0.777778
52 PA1 0.457143 0.777778
53 95Z 0.457143 0.777778
54 G3F 0.457143 0.875
55 NGR 0.454545 0.848485
56 MAL 0.454545 0.848485
57 MAN GLC 0.454545 0.848485
58 GAL BGC 0.454545 0.848485
59 GLA GLA 0.454545 0.848485
60 BGC BMA 0.454545 0.848485
61 M3M 0.454545 0.848485
62 GLA GAL 0.454545 0.848485
63 MAB 0.454545 0.848485
64 GLC GAL 0.454545 0.848485
65 B2G 0.454545 0.848485
66 LBT 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 LAT 0.454545 0.848485
69 BGC GAL 0.454545 0.848485
70 CBI 0.454545 0.848485
71 CBK 0.454545 0.848485
72 N9S 0.454545 0.848485
73 LB2 0.454545 0.848485
74 3MG 0.444444 0.875
75 TCB 0.444444 0.8
76 GLC SGC 0.444444 0.8
77 YIO 0.441176 0.870968
78 2GS 0.432432 0.875
79 2M4 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 MAN BMA BMA 0.416667 0.848485
84 BMA MAN BMA 0.416667 0.848485
85 CTR 0.416667 0.848485
86 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
87 GLA GAL BGC 0.416667 0.848485
88 CE5 0.416667 0.848485
89 MLR 0.416667 0.848485
90 CE6 0.416667 0.848485
91 MT7 0.416667 0.848485
92 BMA BMA BMA 0.416667 0.848485
93 GLC BGC BGC BGC BGC 0.416667 0.848485
94 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
95 BGC BGC BGC BGC BGC 0.416667 0.848485
96 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
97 BGC GLC GLC 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 MAN BMA BMA BMA BMA 0.416667 0.848485
100 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
101 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
102 MAN BMA BMA BMA BMA BMA 0.416667 0.848485
103 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 CTT 0.416667 0.848485
107 GLA GAL GLC 0.416667 0.848485
108 MTT 0.416667 0.848485
109 GLC BGC BGC BGC 0.416667 0.848485
110 GLC GLC BGC 0.416667 0.848485
111 CEY 0.416667 0.848485
112 B4G 0.416667 0.848485
113 CE8 0.416667 0.848485
114 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
115 GAL FUC 0.416667 0.848485
116 DXI 0.416667 0.848485
117 GLC BGC GLC 0.416667 0.848485
118 CT3 0.416667 0.848485
119 GAL GAL GAL 0.416667 0.848485
120 GLC GLC GLC GLC GLC 0.416667 0.848485
121 BGC BGC BGC BGC 0.416667 0.848485
122 BGC BGC BGC 0.416667 0.848485
123 BGC BGC GLC 0.416667 0.848485
124 CEX 0.416667 0.848485
125 GLC GAL GAL 0.416667 0.848485
126 BGC GLC GLC GLC GLC 0.416667 0.848485
127 GLC BGC BGC 0.416667 0.848485
128 GS1 GLC GS1 0.408163 0.8
129 SGC SGC BGC 0.408163 0.8
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 TRE 0.405405 0.848485
135 NDG 0.404762 0.7
136 NGA 0.404762 0.7
137 NAG 0.404762 0.7
138 HSQ 0.404762 0.7
139 A2G 0.404762 0.7
140 BM3 0.404762 0.7
141 FUB AHR AHR 0.4 0.764706
142 AHR AHR AHR AHR AHR AHR 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GNB; Ligand: MAN; Similar sites found with APoc: 250
This union binding pocket(no: 1) in the query (biounit: 2gnb.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
1 3TA2 AKG None
2 1OBB NAD 1.19048
3 6MDE MEV 1.19048
4 1JQ3 AAT 1.19048
5 3CTY FAD 1.5674
6 3OFK SAH 1.85185
7 3G5S FAD 1.98413
8 4CNK FAD 1.98413
9 1I8T FAD 1.98413
10 1GEX PLP HSA 1.98413
11 3OA2 NAD 1.98413
12 2GQS C2R 2.1097
13 3OVR 5SP 2.19298
14 5F52 ASP 2.38095
15 4I42 1HA 2.38095
16 6H3O FAD 2.38095
17 5OVL NAP 2.38095
18 5OVK NDP 2.38095
19 3FPZ AHZ 2.38095
20 2QV6 GTP 2.38095
21 4CTA ATP 2.38095
22 2ED4 FAD 2.38095
23 1PA9 CSN 2.38095
24 3M89 GSP 2.38095
25 5OBY ANP 2.38095
26 5E9W SAH 2.38095
27 4RGQ NDP 2.38095
28 4RGQ 13P 2.38095
29 4UUW AMP 2.38095
30 2JHP SAH 2.38095
31 5AB7 MLC 2.38095
32 2RCU BUJ 2.38095
33 3QFU ADP 2.38095
34 4RGQ 1GP 2.38095
35 4RSL FAD 2.38095
36 4RF2 NAP 2.57353
37 5YLT C7N 2.77778
38 5OC1 FAD 2.77778
39 3RNM FAD 2.77778
40 5O98 NAP 2.77778
41 4XF6 INS 2.77778
42 4XF6 ADP 2.77778
43 4XF6 LIP 2.77778
44 1B8O IMH 2.77778
45 1V59 FAD 2.77778
46 2FK8 SAM 2.77778
47 1AJ8 COA 2.77778
48 1R37 NAD 2.77778
49 6F7L FAD 2.77778
50 3Q9T FAY 2.77778
51 4OBW SAM 2.77778
52 2AOT SAH 2.77778
53 2IU8 UD1 2.77778
54 1USF NAP 2.80899
55 1USF FMN 2.80899
56 2VBU CDP 2.94118
57 5THQ NDP 2.94118
58 3P2E SAH 3.11111
59 2ZC0 PMP 3.1746
60 1I9G SAM 3.1746
61 3CW9 01A 3.1746
62 4YRY FAD 3.1746
63 2Z6J FMN 3.1746
64 2UYT LRH 3.1746
65 2UYT ADP 3.1746
66 2Z6I FMN 3.1746
67 4ITU 1HS 3.1746
68 4ITU NAI 3.1746
69 6CEP NAD 3.1746
70 1FL2 FAD 3.1746
71 2OEM 1AE 3.1746
72 4V15 PLP 3.1746
73 4CQM NAP 3.1746
74 5A1S FLC 3.1746
75 5TQZ GLC 3.33333
76 1WPY BTN 3.40426
77 2HMT NAI 3.47222
78 1O94 ADP 3.57143
79 1DJN ADP 3.57143
80 5OBU ANP 3.57143
81 1UP7 NAD 3.57143
82 5NMX NAP 3.57143
83 5NMX FAD 3.57143
84 1P7W PRO ALA PRO PHE ALA SER ALA 3.58423
85 6GAS FAD 3.62538
86 4X6I 3Y1 3.72093
87 5LW0 AR6 3.8961
88 1MO9 KPC 3.96825
89 1MO9 FAD 3.96825
90 1WMA AB3 3.96825
91 1WMA NDP 3.96825
92 4GKV NAD 3.96825
93 2B9W FAD 3.96825
94 1UZN NAP 3.96825
95 3ZLB ANP 3.96825
96 4YKG FAD 3.96825
97 6CI9 NAP 3.96825
98 5XFH NAG MAN BMA MAN NAG GAL 4.13793
99 1U9Q 186 4.18605
100 5U8U FAD 4.36508
101 2CUN 3PG 4.36508
102 4MOP 2H5 4.36508
103 2GCG NDP 4.36508
104 3O26 NDP 4.36508
105 2B4Q NAP 4.36508
106 3HDY FAD 4.36508
107 3KJS NAP 4.36508
108 3ICS ADP 4.36508
109 4PIO SAH 4.7619
110 2VAP GDP 4.7619
111 1TPY SAH 4.7619
112 4B9Q ATP 4.7619
113 5MQ5 ASP 4.7619
114 4A3U FMN 4.7619
115 5JJU AMP 4.7619
116 1LVL FAD 4.7619
117 2QWO ADP 4.82234
118 3ZEI AWH 4.83871
119 4P6G 2FZ 4.86726
120 5YRG BGC GLC 4.92958
121 5YRF GLC GLC 4.92958
122 3BY8 MLT 4.92958
123 2RAB NAD 5.15873
124 1X7D NAD 5.15873
125 1L1E SAH 5.15873
126 1ZK7 FAD 5.15873
127 1X7D ORN 5.15873
128 3MAX LLX 5.15873
129 1LYX PGA 5.15873
130 2RAB FAD 5.15873
131 4YNU LGC 5.15873
132 4YNU FAD 5.15873
133 6F97 FAD 5.15873
134 2ABS ACP 5.15873
135 1OVD FMN 5.15873
136 1OVD ORO 5.15873
137 4EU7 CIT 5.15873
138 4EU7 COA 5.15873
139 6DUB SAH 5.40541
140 4USR FAD 5.55556
141 2DVZ GLU 5.55556
142 1NJJ ORX 5.55556
143 4AZW SAM 5.55556
144 1OFD AKG 5.95238
145 4I4Z 2NE 5.95238
146 3GD4 FAD 5.95238
147 1OFD FMN 5.95238
148 2V7Y ADP 5.95238
149 1DL5 SAH 5.95238
150 4PU6 ASP 6.09137
151 5UWO GNP 6.32911
152 5YRI GLC GLC 6.33803
153 5YRL GLC GLC 6.33803
154 5YRM BGC GLC 6.33803
155 5YRJ BGC GLC 6.33803
156 2WLT ASP 6.34921
157 2JK0 ASP 6.34921
158 5ERR ADP 6.34921
159 3S1S SAH 6.34921
160 3DJF BC3 6.34921
161 3RIY NAD 6.34921
162 4ZGR NGA GAL 6.47773
163 3LL2 MAN MAN MAN MAN MAN MAN MAN MAN 6.50407
164 2B96 ANN 6.50407
165 2NU5 NAG 6.55738
166 2GUC MAN 6.55738
167 2GUD MAN 6.55738
168 2HYR BGC GLC 6.55738
169 2HYQ MAN MAN 6.55738
170 2NUO BGC 6.55738
171 2GUD BMA 6.55738
172 2GUE NAG 6.55738
173 2ZXI FAD 6.74603
174 3QT6 2P0 6.74603
175 1N5D NDP 6.74603
176 2PXX SAH 6.74603
177 4MO2 FDA 6.74603
178 4MO2 FAD 6.74603
179 5U97 PIT 6.74603
180 2BTO GTP 6.74603
181 3K87 FAD 7.02703
182 3VY6 BGC BGC 7.0922
183 4QIJ 1HA 7.14286
184 1KPG SAH 7.14286
185 4FZV SAM 7.14286
186 1KPH SAH 7.14286
187 16PK BIS 7.14286
188 1GXS DKA 7.14286
189 3WXB NDP 7.14286
190 5KVS NAP 7.14286
191 5KVS 6XR 7.14286
192 2FLI DX5 7.27273
193 1Q1R FAD 7.42459
194 3LAD FAD 7.53968
195 3GDN HBX 7.53968
196 3GDN FAD 7.53968
197 2NXE SAM 7.53968
198 5TVF CGQ 7.53968
199 4JBI NDP 7.53968
200 5DNC ASN 7.53968
201 4C3Y FAD 7.93651
202 3F8D FAD 7.93651
203 2Q7V FAD 7.93651
204 2BLE 5GP 7.93651
205 4C3Y ANB 7.93651
206 5GVH FMN 7.93651
207 5BW4 SAM 7.93651
208 2C6Q IMP 8.33333
209 6FP4 FAD 8.33333
210 4R8L ASP 8.33333
211 4TQG NDP 8.33333
212 2CNE DFJ 8.33333
213 1YQS BSA 8.73016
214 1X9I G6Q 8.73016
215 3ZKI WZV 8.73016
216 3HGM ATP 8.84354
217 2GV8 FAD 9.52381
218 2E5V FAD 9.52381
219 1VQW FAD 9.52381
220 2GVC FAD 9.52381
221 4XJ2 FMN 10.6383
222 1NV8 SAM 10.7143
223 1NV8 MEQ 10.7143
224 5EYP GTP 11.1111
225 5LXT GTP 11.1111
226 5LXT 7AK 11.1111
227 3RYC GTP 11.1111
228 4LNU GTP 11.1111
229 5LXT GDP 11.1111
230 5EYP GDP 11.1111
231 2HQM FAD 11.5079
232 2VVL FAD 11.5079
233 2D7I NGA 11.5079
234 2WPF WPF 11.9048
235 2WPF FAD 11.9048
236 4R74 F6P 12.3016
237 4AKB GAL 12.782
238 4POO SAM 13.4921
239 3R51 MMA 13.75
240 4D7E FAD 14.2857
241 4Z87 5GP 15.4762
242 3QFA FAD 15.873
243 1COY AND 15.873
244 1COY FAD 15.873
245 4J56 FAD 18.4211
246 2DUR MAN MAN 19.8413
247 4ZNO SUC 21.0317
248 2F5Z FAD 25
249 5ITZ GTP 27.907
250 5EIB GTP 30.4348
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