Receptor
PDB id Resolution Class Description Source Keywords
3A0E 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF POLYGONATUM CYRTONEMA LECTIN (PCL) COMP DIMANNOSIDE POLYGONATUM CYRTONEMA BETA-PRISM II LECTIN SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF A NOVEL ANTI-HIV MANNOSE-BIND LECTIN FROM POLYGONATUM CYRTONEMA HUA WITH UNIQUE LIGAND-BINDING PROPERTY AND SUPER-STRUCTURE J.STRUCT.BIOL. V. 171 309 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
M3M A:111;
Valid;
none;
submit data
342.296 C12 H22 O11 C([C@...
SO4 A:112;
A:113;
A:114;
A:115;
A:116;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3A0E 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF POLYGONATUM CYRTONEMA LECTIN (PCL) COMP DIMANNOSIDE POLYGONATUM CYRTONEMA BETA-PRISM II LECTIN SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURES OF A NOVEL ANTI-HIV MANNOSE-BIND LECTIN FROM POLYGONATUM CYRTONEMA HUA WITH UNIQUE LIGAND-BINDING PROPERTY AND SUPER-STRUCTURE J.STRUCT.BIOL. V. 171 309 2010
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 families.
1 3A0D - MMA C7 H14 O6 CO[C@@H]1[....
2 3A0E - M3M C12 H22 O11 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 3A0D - MMA C7 H14 O6 CO[C@@H]1[....
2 3A0E - M3M C12 H22 O11 C([C@@H]1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 3A0D - MMA C7 H14 O6 CO[C@@H]1[....
2 3A0E - M3M C12 H22 O11 C([C@@H]1[....
3 4OIT Ka = 32.5 M^-1 MAN C6 H12 O6 C([C@@H]1[....
4 1MSA - MMA C7 H14 O6 CO[C@@H]1[....
5 1JPC - MAN MAN n/a n/a
6 1NPL Kd = 2 mM MAN C6 H12 O6 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: M3M; Similar ligands found: 265
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN GLC 1 1
2 M3M 1 1
3 LB2 1 1
4 NGR 1 1
5 GLC BGC BGC BGC BGC BGC BGC 0.888889 1
6 BGC BGC BGC GLC BGC BGC 0.888889 1
7 BMA MAN MAN MAN 0.764706 1
8 MAN BMA MAN 0.685185 1
9 P3M 0.666667 0.767442
10 GAL GAL SO4 0.660714 0.66
11 BQZ 0.644444 0.909091
12 CGC 0.62963 0.941176
13 GLA GAL GAL 0.618182 1
14 MAN BMA MAN MAN MAN 0.616667 1
15 M5S 0.616667 1
16 2M4 0.612245 1
17 GAL MBG 0.607843 0.942857
18 MDM 0.607843 0.942857
19 M13 0.607843 0.942857
20 BGC BGC BGC BGC BGC BGC BGC BGC 0.603448 1
21 BGC GAL 0.6 1
22 LBT 0.6 1
23 B2G 0.6 1
24 LAT 0.6 1
25 BMA GAL 0.6 1
26 GLA GLA 0.6 1
27 CBI 0.6 1
28 GLC GAL 0.6 1
29 MAL 0.6 1
30 BGC BMA 0.6 1
31 CBK 0.6 1
32 GAL BGC 0.6 1
33 MAB 0.6 1
34 GLA GAL 0.6 1
35 N9S 0.6 1
36 BGC BGC BGC BGC BGC 0.584906 1
37 BGC BGC BGC BGC 0.584906 1
38 GLA GAL BGC 0.584906 1
39 BMA BMA BMA 0.584906 1
40 BGC GLC GLC 0.584906 1
41 CTR 0.584906 1
42 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.584906 1
43 BMA MAN BMA 0.584906 1
44 GLC BGC BGC BGC BGC 0.584906 1
45 BMA BMA BMA BMA BMA 0.584906 1
46 MT7 0.584906 1
47 DXI 0.584906 1
48 CE6 0.584906 1
49 MAN MAN BMA BMA BMA BMA 0.584906 1
50 MLR 0.584906 1
51 BGC GLC GLC GLC 0.584906 1
52 GLA GAL GLC 0.584906 1
53 CT3 0.584906 1
54 GLC BGC BGC 0.584906 1
55 GAL GAL GAL 0.584906 1
56 BMA BMA BMA BMA BMA BMA 0.584906 1
57 BGC BGC GLC 0.584906 1
58 BGC BGC BGC 0.584906 1
59 GLC BGC GLC 0.584906 1
60 BGC BGC BGC GLC 0.584906 1
61 MAN BMA BMA BMA BMA 0.584906 1
62 CTT 0.584906 1
63 MAN BMA BMA 0.584906 1
64 GLC GAL GAL 0.584906 1
65 GLC GLC GLC GLC GLC 0.584906 1
66 CE5 0.584906 1
67 BGC GLC GLC GLC GLC 0.584906 1
68 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.584906 1
69 B4G 0.584906 1
70 MAN BMA BMA BMA BMA BMA 0.584906 1
71 CEX 0.584906 1
72 GLC GLC BGC 0.584906 1
73 BGC GLC GLC GLC GLC GLC GLC 0.584906 1
74 CE8 0.584906 1
75 BGC BGC BGC BGC BGC BGC 0.584906 1
76 GLC BGC BGC BGC 0.584906 1
77 GLC BGC BGC BGC BGC BGC 0.584906 1
78 CEY 0.584906 1
79 MTT 0.584906 1
80 TRE 0.581395 1
81 NAG GAL GAL NAG GAL 0.573529 0.6875
82 BMA MAN MAN MAN MAN 0.5625 1
83 NAG GAL 0.559322 0.733333
84 GAL NAG 0.559322 0.733333
85 GAL FUC 0.555556 0.941176
86 GAL NAG GAL FUC 0.549296 0.717391
87 GLA NAG GAL FUC 0.549296 0.717391
88 LAT GLA 0.54902 1
89 MAN MAN MAN GLC 0.540984 1
90 BMA BMA 0.537037 0.914286
91 BGC BGC 0.537037 0.914286
92 U63 0.527273 0.891892
93 GAL A2G 0.525424 0.733333
94 GAL NGA 0.525424 0.733333
95 A2G GAL 0.525424 0.733333
96 FUC BGC GAL 0.52459 0.970588
97 MAN MAN BMA MAN 0.52381 1
98 MAN MAN MAN MAN 0.52381 1
99 GLA MBG 0.519231 0.942857
100 MMA MAN 0.518519 0.942857
101 DR5 0.518519 0.942857
102 GLA EGA 0.517857 0.942857
103 DOM 0.509091 0.942857
104 BMA BMA MAN 0.508772 1
105 MAN MAN BMA 0.508772 1
106 47N 0.508475 0.891892
107 AAL GAL 0.508475 0.891892
108 GLA GLA FUC 0.508197 0.970588
109 GAL GAL FUC 0.508197 0.970588
110 GLA GAL FUC 0.508197 0.970588
111 FUC GLA GLA 0.508197 0.970588
112 FUC GAL GLA 0.508197 0.970588
113 GAL NGA A2G 0.5 0.6875
114 MAN BMA NAG 0.5 0.733333
115 NOY BGC 0.5 0.702128
116 GLA GAL NAG 0.5 0.733333
117 MAN MAN MAN MAN MAN MAN MAN 0.5 1
118 5QP 0.491228 0.885714
119 RZM 0.490909 0.688889
120 T6P 0.490909 0.767442
121 NAG MAN BMA 0.485294 0.733333
122 MAL EDO 0.482759 0.942857
123 IFM BGC 0.482759 0.711111
124 BGC OXZ 0.482759 0.666667
125 IFM BMA 0.482759 0.711111
126 BMA IFM 0.482759 0.711111
127 9MR 0.482759 0.744186
128 GLA MAN ABE 0.477612 0.916667
129 G2F BGC BGC BGC BGC BGC 0.47619 0.868421
130 MAN MMA MAN 0.47619 0.942857
131 NDG GAL 0.47541 0.733333
132 GAL NDG 0.47541 0.733333
133 NLC 0.47541 0.733333
134 MAN MNM 0.474576 0.702128
135 NOJ GLC 0.474576 0.695652
136 GLC DMJ 0.474576 0.695652
137 FMO 0.474576 0.868421
138 MAN MAN MAN BMA MAN 0.471429 1
139 XYT 0.467742 0.767442
140 BMA FRU 0.465517 0.842105
141 FRU GAL 0.465517 0.842105
142 BMA BMA GLA BMA BMA 0.462687 1
143 MAN MAN MAN MAN MAN MAN MAN MAN 0.4625 0.846154
144 GLC GLC XYP 0.461538 1
145 MAN G63 0.459016 0.653061
146 GDQ GLC 0.459016 0.666667
147 MAN 7D1 0.45614 0.888889
148 GLC 0.454545 0.848485
149 ALL 0.454545 0.848485
150 MAN 0.454545 0.848485
151 WOO 0.454545 0.848485
152 GXL 0.454545 0.848485
153 GIV 0.454545 0.848485
154 GAL 0.454545 0.848485
155 GLA 0.454545 0.848485
156 BMA 0.454545 0.848485
157 BGC 0.454545 0.848485
158 NAG BMA 0.453125 0.653061
159 GAL NAG GAL GLC 0.452055 0.733333
160 BGC GAL NAG GAL 0.452055 0.733333
161 GAL MGC 0.451613 0.702128
162 GLA GAL BGC 5VQ 0.451613 0.891892
163 GLC GLC GLC BGC 0.447761 1
164 GAL NGA GLA BGC GAL 0.447368 0.733333
165 3MG 0.446809 0.857143
166 LAK 0.446429 1
167 BMA MAN 0.446429 1
168 MAN MAN 0.446429 1
169 BGC GLC 0.446429 1
170 GLA BGC 0.446429 1
171 GLC GLC 0.446429 1
172 BGC GLA 0.446429 1
173 MLB 0.446429 1
174 MAN BMA 0.446429 1
175 GAL GAL 0.446429 1
176 KHO 0.446429 0.888889
177 GLC BGC 0.446429 1
178 GAL GLC 0.446429 1
179 BMA GLA 0.446429 1
180 GLA GLC 0.446429 1
181 GLA BMA 0.446429 1
182 FUC GAL NAG GAL FUC 0.443038 0.702128
183 ABL 0.442623 0.702128
184 MVP 0.442623 0.733333
185 MAN DGO 0.440678 0.914286
186 GLC GAL NAG GAL 0.44 0.733333
187 LAT NAG GAL 0.44 0.733333
188 OXZ BGC BGC 0.439394 0.6875
189 G2I 0.439394 0.767442
190 G3I 0.439394 0.767442
191 MBG 0.4375 0.857143
192 MMA 0.4375 0.857143
193 AMG 0.4375 0.857143
194 GYP 0.4375 0.857143
195 GAL BGC BGC XYS 0.43662 0.942857
196 ISX 0.433333 0.761905
197 SOR GLC GLC 0.432836 0.970588
198 GLC GLC GLC GLC GLC BGC 0.431034 1
199 MAN MAN MAN 0.431034 1
200 GLC GLC GLC GLC BGC 0.431034 1
201 GLC GLC GLC 0.431034 1
202 BMA MAN MAN 0.431034 1
203 GLA GAL GLC NBU 0.430769 0.846154
204 BGC GLA GAL FUC 0.430556 0.970588
205 8VZ 0.428571 0.673469
206 WZ3 0.428571 0.916667
207 GAL AAL GAL AAL GAL AAL 0.426667 0.891892
208 AAL GAL AAL GAL 0.426667 0.891892
209 AAL GAL AAL GLA 0.426667 0.891892
210 NAG GAL GAL NAG 0.426667 0.6875
211 GAL NAG GAL NAG GAL NAG 0.426667 0.673469
212 GLC GLC XYS 0.426471 0.970588
213 MAN IFM 0.42623 0.727273
214 GLC IFM 0.42623 0.727273
215 BGC BGC BGC FRU 0.424242 0.868421
216 OPM MAN MAN 0.422535 0.804878
217 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.421053 0.942857
218 BGC BGC BGC XYS BGC BGC 0.421053 0.942857
219 BGC BGC BGC XYS GAL 0.421053 0.942857
220 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.421053 0.942857
221 LSE 0.42029 0.6875
222 GLO GLC GLC GLC 0.42029 0.970588
223 SOR GLC GLC GLC 0.42029 0.970588
224 GLC 7LQ 0.419355 0.885714
225 UMQ 0.41791 0.785714
226 NGT GAL 0.41791 0.66
227 LMT 0.41791 0.785714
228 GAL NGT 0.41791 0.66
229 DMU 0.41791 0.785714
230 LMU 0.41791 0.785714
231 TUR 0.416667 0.842105
232 GLC FRU 0.416667 0.842105
233 GLO GLC GLC 0.416667 0.942857
234 BTU 0.416667 0.842105
235 NGA GLA GAL BGC 0.415584 0.733333
236 GLA MMA ABE 0.414286 0.868421
237 FUC BGC GAL NAG GAL 0.411765 0.717391
238 2M8 0.410714 0.911765
239 BGC RAM BGC GAD 0.409639 0.846154
240 SIA NAG GAL GAL 0.40625 0.622642
241 GLC BDF 0.40625 0.916667
242 NAG GAL BGC 0.405405 0.733333
243 GLA MAN RAM ABE 0.405063 0.891892
244 GAL NAG GAL BGC 0.405063 0.702128
245 RIB 0.404762 0.742857
246 AHR 0.404762 0.742857
247 32O 0.404762 0.742857
248 Z6J 0.404762 0.742857
249 FUB 0.404762 0.742857
250 NAG MAN BMA MAN NAG GAL 0.404494 0.6875
251 G1P 0.403846 0.697674
252 M1P 0.403846 0.697674
253 GL1 0.403846 0.697674
254 XGP 0.403846 0.697674
255 GAL NAG MAN 0.402778 0.733333
256 FUC NDG GAL 0.402778 0.717391
257 GAL NDG FUC 0.402778 0.717391
258 NAG BMA MAN MAN MAN MAN MAN 0.402597 0.868421
259 NAG NAG BMA MAN 0.402439 0.634615
260 RGG 0.4 0.882353
261 GAL BGC NAG GAL 0.4 0.733333
262 LAG 0.4 0.6
263 6UZ 0.4 0.846154
264 FUC GAL 0.4 0.941176
265 GAL NAG GAL 0.4 0.702128
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3A0E; Ligand: M3M; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3a0e.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3A0E; Ligand: M3M; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3a0e.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback