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Receptor
PDB id Resolution Class Description Source Keywords
4DEN 1.6 Å NON-ENZYME: OTHER STRUCTURAL INSIGHTSINTO POTENT, SPECIFIC ANTI-HIV PROPERTY O ACTINOHIVIN; CRYSTAL STRUCTURE OF ACTINOHIVIN IN COMPLEX WIA LPHA(1-2) MANNOBIOSE MOIETY OF HIGH-MANNOSE TYPE GLYCAN OF ACTINOMYCETE ANTI-HIV LECTIN MOLECULAR RECOGNITION HIGH-MANNOSE TYPE GLANTIVIRAL PROTEIN
Ref.: STRUCTURAL INSIGHTS INTO THE SPECIFIC ANTI-HIV PROP ACTINOHIVIN: STRUCTURE OF ITS COMPLEX WITH THE ALPHA(1–2)MANNOBIOSE MOIETY OF GP120 ACTA CRYSTALLOGR.,SECT.D V. 68 1671 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2M4 A:201;
A:202;
A:203;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
342.296 C12 H22 O11 C([C@...
K A:204;
A:205;
A:206;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
39.098 K [K+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4P6A 1.4 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A POTENT ANTI-HIV LECTIN ACTINOHIVIN IN WITH ALPHA-1,2-MANNOTRIOSE ACTINOMYCETE SP. ACTINOHIVIN ANTI-HIV LECTIN HIGH-MANNOSE TYPE GLYCAN SUGAPROTEIN
Ref.: THE CHARACTERISTIC STRUCTURE OF ANTI-HIV ACTINOHIVI COMPLEX WITH THREE HMTG D1 CHAINS OF HIV-GP120. CHEMBIOCHEM V. 15 2766 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4DEN - 2M4 C12 H22 O11 C([C@@H]1[....
2 4P6A - MAN MAN MAN n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4DEN - 2M4 C12 H22 O11 C([C@@H]1[....
2 4P6A - MAN MAN MAN n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4DEN - 2M4 C12 H22 O11 C([C@@H]1[....
2 4P6A - MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2M4; Similar ligands found: 239
No: Ligand ECFP6 Tc MDL keys Tc
1 2M4 1 1
2 BMA BMA MAN 0.808511 1
3 MAN MAN BMA 0.808511 1
4 MAN MAN MAN GLC 0.690909 1
5 FUC GAL 0.66 0.941176
6 BQZ 0.622222 0.909091
7 GAL NAG MAN 0.612903 0.733333
8 N9S 0.612245 1
9 LBT 0.612245 1
10 BGC BMA 0.612245 1
11 MAB 0.612245 1
12 LB2 0.612245 1
13 GLA GLA 0.612245 1
14 CBK 0.612245 1
15 LAT 0.612245 1
16 BMA GAL 0.612245 1
17 BGC GAL 0.612245 1
18 GLA GAL 0.612245 1
19 NGR 0.612245 1
20 GAL BGC 0.612245 1
21 B2G 0.612245 1
22 MAN GLC 0.612245 1
23 MAL 0.612245 1
24 GLC GAL 0.612245 1
25 M3M 0.612245 1
26 CBI 0.612245 1
27 TRE 0.595238 1
28 GLA MBG 0.591837 0.942857
29 GLC BGC BGC BGC BGC BGC BGC 0.584906 1
30 BGC BGC BGC GLC BGC BGC 0.584906 1
31 CEY 0.566038 1
32 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.566038 1
33 MAN BMA BMA 0.566038 1
34 BGC GLC GLC GLC GLC 0.566038 1
35 MLR 0.566038 1
36 GLC BGC GLC 0.566038 1
37 GLC BGC BGC BGC BGC 0.566038 1
38 BGC BGC GLC 0.566038 1
39 BGC BGC BGC 0.566038 1
40 MAN MAN BMA BMA BMA BMA 0.566038 1
41 CE8 0.566038 1
42 B4G 0.566038 1
43 BMA BMA BMA BMA BMA 0.566038 1
44 MAN BMA BMA BMA BMA 0.566038 1
45 DXI 0.566038 1
46 GLA GAL GLC 0.566038 1
47 GLC BGC BGC 0.566038 1
48 BGC BGC BGC BGC 0.566038 1
49 BGC GLC GLC GLC 0.566038 1
50 CT3 0.566038 1
51 BGC BGC BGC BGC BGC BGC 0.566038 1
52 MAN BMA BMA BMA BMA BMA 0.566038 1
53 GAL GAL GAL 0.566038 1
54 GLC GLC BGC 0.566038 1
55 CTT 0.566038 1
56 BMA BMA BMA BMA BMA BMA 0.566038 1
57 BGC BGC BGC GLC 0.566038 1
58 CE6 0.566038 1
59 GLC BGC BGC BGC BGC BGC 0.566038 1
60 MTT 0.566038 1
61 GLC GAL GAL 0.566038 1
62 MT7 0.566038 1
63 CEX 0.566038 1
64 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.566038 1
65 CE5 0.566038 1
66 BMA MAN BMA 0.566038 1
67 BGC GLC GLC GLC GLC GLC GLC 0.566038 1
68 GLC GLC GLC GLC GLC 0.566038 1
69 BGC BGC BGC BGC BGC 0.566038 1
70 BGC GLC GLC 0.566038 1
71 GLA GAL BGC 0.566038 1
72 CTR 0.566038 1
73 BMA BMA BMA 0.566038 1
74 GLC BGC BGC BGC 0.566038 1
75 BMA MAN MAN MAN 0.561404 1
76 LAT GLA 0.56 1
77 GLA GAL GAL 0.54386 1
78 FUC GAL GLA 0.542373 0.970588
79 GLA GLA FUC 0.542373 0.970588
80 FUC GLA GLA 0.542373 0.970588
81 GAL GAL FUC 0.542373 0.970588
82 GLA GAL FUC 0.542373 0.970588
83 GAL FUC 0.537037 0.941176
84 U63 0.537037 0.891892
85 RZM 0.528302 0.688889
86 MDM 0.528302 0.942857
87 MMA MAN 0.528302 0.942857
88 M13 0.528302 0.942857
89 GAL MBG 0.528302 0.942857
90 DR5 0.528302 0.942857
91 GLA EGA 0.527273 0.942857
92 BMA BMA 0.518519 0.914286
93 BGC BGC 0.518519 0.914286
94 DOM 0.518519 0.942857
95 FMO 0.508772 0.868421
96 GAL NGA 0.508475 0.733333
97 A2G GAL 0.508475 0.733333
98 GAL A2G 0.508475 0.733333
99 BGC BGC BGC BGC BGC BGC BGC BGC 0.508197 1
100 MAL EDO 0.491228 0.942857
101 GLA MAN ABE 0.484848 0.916667
102 GAL NDG 0.483333 0.733333
103 NLC 0.483333 0.733333
104 NDG GAL 0.483333 0.733333
105 NOJ GLC 0.482759 0.695652
106 MMA 0.478261 0.857143
107 AMG 0.478261 0.857143
108 MBG 0.478261 0.857143
109 GYP 0.478261 0.857143
110 MAN BMA MAN 0.47541 1
111 MVP 0.474576 0.733333
112 CGC 0.474576 0.941176
113 ABL 0.474576 0.702128
114 BMA FRU 0.473684 0.842105
115 5QP 0.473684 0.885714
116 FRU GAL 0.473684 0.842105
117 T6P 0.472727 0.767442
118 GDQ GLC 0.466667 0.666667
119 9MR 0.465517 0.744186
120 IFM BMA 0.465517 0.711111
121 IFM BGC 0.465517 0.711111
122 BGC OXZ 0.465517 0.666667
123 BMA IFM 0.465517 0.711111
124 FUC BGC GAL 0.460317 0.970588
125 G2F BGC BGC BGC BGC BGC 0.460317 0.868421
126 GAL GAL SO4 0.460317 0.66
127 GLA GAL BGC 5VQ 0.459016 0.891892
128 NOY BGC 0.457627 0.702128
129 GLC DMJ 0.457627 0.695652
130 MAN MNM 0.457627 0.702128
131 BMA MAN MAN MAN MAN 0.455882 1
132 XYT 0.451613 0.767442
133 MAN DGO 0.448276 0.914286
134 BMA BMA GLA BMA BMA 0.447761 1
135 2GS 0.446809 0.857143
136 GLC GLC XYP 0.446154 1
137 P3M 0.446154 0.767442
138 GAL BGC BGC XYS 0.442857 0.942857
139 MAN G63 0.442623 0.653061
140 MAN BMA NAG 0.441176 0.733333
141 GLA GAL NAG 0.441176 0.733333
142 MAN MAN MAN MAN 0.439394 1
143 SOR GLC GLC 0.439394 0.970588
144 MAN MAN BMA MAN 0.439394 1
145 MAN 7D1 0.438596 0.888889
146 NAG BMA 0.4375 0.653061
147 GLA GAL GLC NBU 0.4375 0.846154
148 MAN MAN MAN BMA MAN 0.43662 1
149 8VZ 0.435484 0.673469
150 GAL MGC 0.435484 0.702128
151 M5S 0.432836 1
152 MAN BMA MAN MAN MAN 0.432836 1
153 GLC GLC GLC BGC 0.432836 1
154 GIV 0.431818 0.848485
155 ALL 0.431818 0.848485
156 BMA 0.431818 0.848485
157 MAN 0.431818 0.848485
158 GAL 0.431818 0.848485
159 WOO 0.431818 0.848485
160 BGC 0.431818 0.848485
161 GLC 0.431818 0.848485
162 GXL 0.431818 0.848485
163 GLA 0.431818 0.848485
164 BGC BGC BGC FRU 0.430769 0.868421
165 MLB 0.428571 1
166 BGC GLC 0.428571 1
167 GAL GAL 0.428571 1
168 BMA GLA 0.428571 1
169 GAL GLC 0.428571 1
170 MAN BMA 0.428571 1
171 GLA GLC 0.428571 1
172 LAK 0.428571 1
173 MAN MAN 0.428571 1
174 BGC GLA 0.428571 1
175 GLC BGC 0.428571 1
176 KHO 0.428571 0.888889
177 GLC GLC 0.428571 1
178 BMA MAN 0.428571 1
179 GLA BMA 0.428571 1
180 GLA BGC 0.428571 1
181 SOR GLC GLC GLC 0.426471 0.970588
182 LAG 0.426471 0.6
183 GLO GLC GLC GLC 0.426471 0.970588
184 GAL BGC NAG GAL 0.424658 0.733333
185 G3I 0.424242 0.767442
186 OXZ BGC BGC 0.424242 0.6875
187 8B7 0.424242 0.970588
188 LMU 0.424242 0.785714
189 LMT 0.424242 0.785714
190 UMQ 0.424242 0.785714
191 G2I 0.424242 0.767442
192 FUC GAL GLC 0.424242 0.970588
193 LAT FUC 0.424242 0.970588
194 BGC GAL FUC 0.424242 0.970588
195 DMU 0.424242 0.785714
196 GLC GAL FUC 0.424242 0.970588
197 GLC FRU 0.423729 0.842105
198 BTU 0.423729 0.842105
199 TUR 0.423729 0.842105
200 GAL NAG GAL GLC 0.418919 0.733333
201 BGC GAL NAG GAL 0.418919 0.733333
202 ISX 0.416667 0.761905
203 BGC GLA GAL FUC 0.416667 0.970588
204 MAN MMA MAN 0.415385 0.942857
205 NPJ 0.414286 0.622642
206 GLC GLC GLC GLC BGC 0.413793 1
207 GLC GLC GLC GLC GLC BGC 0.413793 1
208 BMA MAN MAN 0.413793 1
209 GLC GLC GLC 0.413793 1
210 MAN MAN MAN 0.413793 1
211 NAG GAL GAL NAG GAL 0.413333 0.6875
212 ALX 0.411765 0.697674
213 XGP 0.411765 0.697674
214 GLC GLC XYS 0.411765 0.970588
215 GL1 0.411765 0.697674
216 M1P 0.411765 0.697674
217 G1P 0.411765 0.697674
218 BNX 0.411765 0.697674
219 56N 0.410714 0.833333
220 MAN IFM 0.409836 0.727273
221 GLC IFM 0.409836 0.727273
222 GAL NDG FUC 0.408451 0.717391
223 OPM MAN MAN 0.408451 0.804878
224 FUC NDG GAL 0.408451 0.717391
225 MAN MAN MAN MAN MAN MAN MAN 0.407895 1
226 LAT NAG GAL 0.407895 0.733333
227 GLC GAL NAG GAL 0.407895 0.733333
228 LSE 0.405797 0.6875
229 6UZ 0.405797 0.846154
230 GLC 7LQ 0.403226 0.885714
231 BMA MVL 0.402985 0.6
232 GAL NGT 0.402985 0.66
233 IDC 0.402985 0.6
234 NGT GAL 0.402985 0.66
235 MVL BMA 0.402985 0.6
236 GLO GLC GLC 0.402778 0.942857
237 RCB 0.402778 0.622642
238 GTM BGC BGC 0.4 0.868421
239 10M 0.4 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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