Receptor
PDB id Resolution Class Description Source Keywords
2HYQ 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A COMPLEX OF GRIFFITHSIN WITH 6ALPHA-MA GRIFFITHSIA GRIFFITHSIN LECTINS DOMAIN SWAPPING MANNOSE BINDING HIVSUGAR BINDING PROTEIN
Ref.: CRYSTALLOGRAPHIC, THERMODYNAMIC, AND MOLECULAR MODE STUDIES OF THE MODE OF BINDING OF OLIGOSACCHARIDES POTENT ANTIVIRAL PROTEIN GRIFFITHSIN. PROTEINS V. 67 661 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN MAN A:122;
A:124;
A:126;
B:122;
B:124;
B:126;
Valid;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
none;
Kd = 88.3 uM
342.297 n/a O(C1O...
SO4 A:201;
B:202;
B:203;
Invalid;
Invalid;
Invalid;
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
2HYQ 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF A COMPLEX OF GRIFFITHSIN WITH 6ALPHA-MA GRIFFITHSIA GRIFFITHSIN LECTINS DOMAIN SWAPPING MANNOSE BINDING HIVSUGAR BINDING PROTEIN
Ref.: CRYSTALLOGRAPHIC, THERMODYNAMIC, AND MOLECULAR MODE STUDIES OF THE MODE OF BINDING OF OLIGOSACCHARIDES POTENT ANTIVIRAL PROTEIN GRIFFITHSIN. PROTEINS V. 67 661 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 2HYQ Kd = 88.3 uM MAN MAN n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 2HYQ Kd = 88.3 uM MAN MAN n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 2HYQ Kd = 88.3 uM MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAN MAN; Similar ligands found: 243
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN 1 1
2 BGC BGC 1 1
3 2M4 1 1
4 BMA BMA MAN 0.886364 0.970588
5 MAN MAN BMA 0.808511 1
6 MAN MAN MAN GLC 0.690909 1
7 FUC GAL 0.66 0.941176
8 GAL NAG MAN 0.612903 0.733333
9 MAN NAG GAL 0.612903 0.733333
10 BGC GLC 0.612245 1
11 GLC BGC 0.612245 1
12 B2G 0.612245 1
13 GLA GAL 0.612245 1
14 LAT 0.612245 1
15 GLC GAL 0.612245 1
16 CBK 0.612245 1
17 BGC GAL 0.612245 1
18 MAL MAL 0.612245 0.970588
19 GLA GLA 0.612245 1
20 GAL GLC 0.612245 1
21 BMA GAL 0.612245 1
22 MAB 0.612245 1
23 GAL BGC 0.612245 1
24 CBI 0.612245 1
25 BMA BMA 0.612245 1
26 BGC BMA 0.612245 1
27 LB2 0.612245 1
28 MAN GLC 0.612245 1
29 LBT 0.612245 1
30 N9S 0.612245 1
31 M3M 0.612245 1
32 MAL 0.612245 1
33 TRE 0.595238 1
34 GLA MBG 0.591837 0.942857
35 BGC BGC BGC ASO BGC BGC ASO 0.584906 1
36 GLC BGC BGC BGC BGC BGC BGC 0.584906 1
37 BGC BGC BGC 0.584906 1
38 BGC BGC BGC GLC BGC BGC 0.584906 1
39 BGC BGC BGC BGC BGC 0.584906 1
40 GLC BGC BGC BGC 0.584906 1
41 M6P MAN MAN 0.580645 0.785714
42 BMA MAN MAN 0.571429 1
43 GLA GAL GLC 0.566038 1
44 BGC GLC GLC GLC 0.566038 1
45 GAL GAL GAL 0.566038 1
46 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.566038 1
47 BGC BGC BGC BGC BGC BGC 0.566038 1
48 BMA MAN BMA 0.566038 1
49 GLC BGC BGC BGC BGC 0.566038 1
50 CE6 0.566038 1
51 BGC GLC GLC GLC GLC GLC GLC 0.566038 1
52 MTT 0.566038 1
53 GLC BGC BGC 0.566038 1
54 CEY 0.566038 1
55 MT7 0.566038 1
56 CE5 0.566038 1
57 BMA BMA BMA BMA BMA BMA 0.566038 1
58 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.566038 1
59 BGC BGC BGC GLC 0.566038 1
60 GLC GLC GLC GLC GLC GLC GLC GLC 0.566038 1
61 MLR 0.566038 1
62 BMA BMA BMA 0.566038 1
63 CEX 0.566038 1
64 BGC GLC GLC 0.566038 1
65 CTR 0.566038 1
66 BGC GLC GLC GLC GLC 0.566038 1
67 GLC BGC GLC 0.566038 1
68 CT3 0.566038 1
69 GLC GLC BGC GLC GLC GLC GLC 0.566038 1
70 MAN MAN BMA BMA BMA BMA 0.566038 1
71 CTT 0.566038 1
72 DXI 0.566038 1
73 MAN BMA BMA BMA BMA 0.566038 1
74 GLC GAL GAL 0.566038 1
75 BMA BMA BMA BMA BMA 0.566038 1
76 B4G 0.566038 1
77 MAN BMA BMA 0.566038 1
78 GLC BGC BGC BGC BGC BGC 0.566038 1
79 CE8 0.566038 1
80 GLC GLC GLC GLC GLC GLC GLC 0.566038 1
81 GLC GLC GLC GLC GLC 0.566038 1
82 GLC GLC BGC 0.566038 1
83 LAT GLA 0.56 1
84 MAN BMA BMA BMA BMA BMA 0.553571 0.970588
85 BMA BMA BMA BMA BMA BMA MAN 0.553571 0.970588
86 BGC BGC GLC 0.553571 1
87 MAN NAG 0.551724 0.733333
88 GLA GAL GAL 0.54386 1
89 GLA GAL BGC 0.54386 1
90 GAL GAL FUC 0.542373 0.970588
91 GLA GAL FUC 0.542373 0.970588
92 GLA GLA FUC 0.542373 0.970588
93 FUC GLA GLA 0.542373 0.970588
94 FUC GAL GLA 0.542373 0.970588
95 U63 0.537037 0.891892
96 GAL FUC 0.537037 0.941176
97 RZM 0.528302 0.688889
98 M13 0.528302 0.942857
99 MDM 0.528302 0.942857
100 GAL MBG 0.528302 0.942857
101 DR5 0.528302 0.942857
102 MMA MAN 0.528302 0.942857
103 GLA EGA 0.527273 0.942857
104 DOM 0.518519 0.942857
105 BMA MAN 0.518519 0.914286
106 FMO 0.508772 0.868421
107 A2G GAL 0.508475 0.733333
108 GAL A2G 0.508475 0.733333
109 GAL NGA 0.508475 0.733333
110 BGC BGC BGC BGC BGC BGC BGC BGC 0.508197 1
111 BGC BGC BGC BGC 0.508197 1
112 MAL EDO 0.491228 0.942857
113 GLA MAN ABE 0.484848 0.916667
114 NDG GAL 0.483333 0.733333
115 GAL NDG 0.483333 0.733333
116 NLC 0.483333 0.733333
117 NOJ GLC 0.482759 0.727273
118 AMG 0.478261 0.857143
119 MMA 0.478261 0.857143
120 GYP 0.478261 0.857143
121 MBG 0.478261 0.857143
122 GAL NGA A2G 0.476923 0.673469
123 ABL 0.474576 0.702128
124 MVP 0.474576 0.733333
125 CGC 0.474576 0.941176
126 5QP 0.473684 0.885714
127 FRU GAL 0.473684 0.842105
128 NOY BGC 0.473684 0.75
129 BMA FRU 0.473684 0.842105
130 T6P 0.472727 0.767442
131 GLC GLC GLC GLC GLC GLC 0.46875 1
132 GAL GAL SO4 0.467742 0.702128
133 BMA IFM 0.465517 0.744186
134 MAN MNM 0.465517 0.75
135 IFM BMA 0.465517 0.744186
136 9MR 0.465517 0.744186
137 BGC OXZ 0.465517 0.666667
138 IFM BGC 0.465517 0.744186
139 FUC BGC GAL 0.460317 0.970588
140 G2F BGC BGC BGC BGC BGC 0.460317 0.868421
141 GLA GAL BGC 5VQ 0.459016 0.891892
142 GLC DMJ 0.457627 0.727273
143 MAN DGO 0.448276 0.914286
144 BMA BMA GLA BMA BMA 0.447761 1
145 2GS 0.446809 0.857143
146 GLC GLC XYP 0.446154 1
147 P3M 0.446154 0.767442
148 GAL BGC BGC XYS 0.442857 0.942857
149 GLA GAL NAG 0.441176 0.733333
150 NAG GAL GAL 0.441176 0.733333
151 MAN BMA NAG 0.441176 0.733333
152 MAN MAN MAN MAN 0.439394 1
153 SOR GLC GLC 0.439394 0.970588
154 MAN MAN BMA MAN 0.439394 1
155 MAN 7D1 0.438596 0.888889
156 NAG BMA 0.4375 0.653061
157 GLC GLC GLC GLC 0.4375 1
158 GLA GAL GLC NBU 0.4375 0.846154
159 MAN MAN MAN BMA MAN 0.43662 1
160 8VZ 0.435484 0.673469
161 GAL MGC 0.435484 0.702128
162 GLC GLC GLC BGC 0.432836 1
163 MAN BMA MAN MAN MAN 0.432836 1
164 M5S 0.432836 1
165 MAN 0.431818 0.848485
166 GAL 0.431818 0.848485
167 BMA 0.431818 0.848485
168 ALL 0.431818 0.848485
169 WOO 0.431818 0.848485
170 GXL 0.431818 0.848485
171 GLC 0.431818 0.848485
172 GLA 0.431818 0.848485
173 BGC 0.431818 0.848485
174 GIV 0.431818 0.848485
175 BGC BGC G2F SHG 0.430556 0.846154
176 MLB 0.428571 1
177 BGC GLA 0.428571 1
178 KHO 0.428571 0.888889
179 GLA BGC 0.428571 1
180 MAN BMA 0.428571 1
181 GAL GAL 0.428571 1
182 LAK 0.428571 1
183 GLA GLC 0.428571 1
184 GLA BMA 0.428571 1
185 BMA GLA 0.428571 1
186 SOR GLC GLC GLC 0.426471 0.970588
187 LAG 0.426471 0.6
188 GAL BGC NAG GAL 0.424658 0.733333
189 OXZ BGC BGC 0.424242 0.6875
190 LAT FUC 0.424242 0.970588
191 BGC GAL FUC 0.424242 0.970588
192 FUC GAL GLC 0.424242 0.970588
193 UMQ 0.424242 0.785714
194 GLC GAL FUC 0.424242 0.970588
195 G3I 0.424242 0.767442
196 DMU 0.424242 0.785714
197 LMU 0.424242 0.785714
198 FUC LAT 0.424242 0.970588
199 LMT 0.424242 0.785714
200 G2I 0.424242 0.767442
201 BTU 0.423729 0.842105
202 TUR 0.423729 0.842105
203 LAT NAG GAL 0.418919 0.733333
204 BGC GAL NAG GAL 0.418919 0.733333
205 GAL NAG GAL BGC 0.418919 0.733333
206 BGC GLA GAL FUC 0.416667 0.970588
207 ISX 0.416667 0.761905
208 MAN MMA MAN 0.415385 0.942857
209 NPJ 0.414286 0.622642
210 GLC GLC GLC 0.413793 1
211 MAN MAN MAN 0.413793 1
212 GLC GLC GLC GLC GLC BGC 0.413793 1
213 GLC GLC GLC GLC BGC 0.413793 1
214 NAG GAL GAL NAG GAL 0.413333 0.6875
215 GLC GLC XYS 0.411765 0.970588
216 G1P 0.411765 0.697674
217 ALX 0.411765 0.697674
218 GL1 0.411765 0.697674
219 BNX 0.411765 0.697674
220 M1P 0.411765 0.697674
221 XGP 0.411765 0.697674
222 56N 0.410714 0.833333
223 MAN IFM 0.409836 0.761905
224 GLC IFM 0.409836 0.761905
225 FUC NDG GAL 0.408451 0.717391
226 OPM MAN MAN 0.408451 0.804878
227 GAL NDG FUC 0.408451 0.717391
228 FUC NAG GAL 0.408451 0.717391
229 GAL NAG FUC 0.408451 0.717391
230 GLC GAL NAG GAL 0.407895 0.733333
231 LSE 0.405797 0.6875
232 6UZ 0.405797 0.846154
233 GLC 7LQ 0.403226 0.885714
234 GAL NGT 0.402985 0.66
235 BMA MVL 0.402985 0.6
236 MVL BMA 0.402985 0.6
237 IDC 0.402985 0.6
238 NGT GAL 0.402985 0.66
239 RCB 0.402778 0.622642
240 GLO GLC GLC 0.402778 0.942857
241 GTM BGC BGC 0.4 0.868421
242 GLC GLC BGC XYS BGC XYS 0.4 0.942857
243 10M 0.4 0.733333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HYQ; Ligand: MAN MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 2hyq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2HYQ; Ligand: MAN MAN; 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: 2hyq.bio1) has 7 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2HYQ; Ligand: MAN MAN; Similar sites found: 64
This union binding pocket(no: 3) in the query (biounit: 2hyq.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2BQP GLC 0.000005685 0.50952 None
2 1LES GLC FRU 0.00001413 0.50106 None
3 1OFS SUC 0.000004388 0.49876 None
4 3P8N L4T 0.02562 0.40957 1.63934
5 2JE7 XMM 0.00005587 0.43651 2.45902
6 3TKY SAH 0.003287 0.46189 4.09836
7 1Q8V MAN MAN 0.000001732 0.58319 6.55738
8 2GN3 MAN 0.000001059 0.57825 6.55738
9 2GN3 MMA 0.000001167 0.5763 6.55738
10 1Q8V MAN MAN MAN 0.000005036 0.56915 6.55738
11 2GNB MAN 0.00000183 0.54394 6.55738
12 2GMM MAN MAN 0.000001127 0.53993 6.55738
13 2GNM MAN 0.000002059 0.52638 6.55738
14 2PHU MAN MAN 0.000001249 0.52067 6.55738
15 2GND MAN 0.000001414 0.51831 6.55738
16 1Q8O MAN MMA 0.000001551 0.50176 6.55738
17 2PHT MAN MAN MAN 0.000002925 0.49166 6.55738
18 1UKG MMA 0.00001764 0.48985 6.55738
19 2PHF MAN MAN 0.000003288 0.47686 6.55738
20 2GND MAN MMA 0.000003365 0.47656 6.55738
21 2PHW MAN MAN 0.000003634 0.47547 6.55738
22 1Q8P MAN MMA 0.000003686 0.47517 6.55738
23 2PHR MAN MAN 0.000003852 0.47461 6.55738
24 1Q8S MAN MMA 0.00002261 0.4726 6.55738
25 2PHX MAN MAN 0.00002325 0.47215 6.55738
26 2PHX MAN MAN MAN MAN 0.000006331 0.46719 6.55738
27 2PHR MAN MAN BMA MAN 0.000003648 0.46317 6.55738
28 1Q8Q MAN MMA 0.00004047 0.46174 6.55738
29 2PHF MAN MAN BMA MAN 0.000005462 0.45801 6.55738
30 2PHU MAN MAN MAN BMA MAN 0.000004957 0.44842 6.55738
31 2PHW MAN MAN MAN BMA MAN MAN MAN 0.000004946 0.44799 6.55738
32 2PHT MAN MAN MAN BMA MAN 0.000006025 0.44637 6.55738
33 2GMP NAG MAN 0.00009697 0.44559 6.55738
34 2AUY NAG MAN MMA 0.000004875 0.4388 6.55738
35 2CUN 3PG 0.0005964 0.43757 6.55738
36 1LOB MMA 0.00003725 0.43301 6.55738
37 2AR6 NAG MAN 0.000008691 0.4235 6.55738
38 5A1S FLC 0.0004943 0.41305 6.55738
39 3T7S SAM 0.0263 0.40137 6.55738
40 1HQL GLA MBG 0.0001196 0.46221 7.37705
41 4M00 SUC 0.00001606 0.51923 8.19672
42 1LDN NAD 0.01955 0.41351 9.01639
43 1MVQ MMA 0.00005143 0.4196 10.6557
44 2Q2V NAD 0.04172 0.40034 16.3934
45 3O26 NDP 0.01735 0.41139 17.2131
46 2FMD MAN MAN 0.00001172 0.49525 20.4918
47 1ELI PYC 0.001502 0.47907 21.3115
48 1XXR MAN 0.00000006211 0.62717 23.7705
49 1VBO MAN 0.0000007647 0.57497 24.5902
50 1VBO MAN MAN MAN 0.0000006481 0.55708 24.5902
51 1JOT GAL A2G 0.0001514 0.47751 24.5902
52 1C3M MAN MAN 0.00000009053 0.66666 34.4262
53 1WS4 AMG 0.00006097 0.49467 37.7049
54 1WS4 GYP 0.00009981 0.48571 37.7049
55 1UGY GLA GLC 0.0001161 0.48511 37.7049
56 1UGY GLA BGC 0.00009521 0.48236 37.7049
57 1WS5 MMA 0.0001185 0.48023 37.7049
58 1UGW GAL 0.0001479 0.47598 37.7049
59 1KUJ MMA 0.0001982 0.47363 37.7049
60 1UGX GAL MGC 0.000003338 0.46354 37.7049
61 1JAC AMG 0.0005144 0.44128 37.7049
62 1M26 GAL A2G 0.0009837 0.43211 37.7049
63 1TOQ AMG 0.0001379 0.47836 40.1639
64 2BMZ XLM 0.000000001739 0.45414 48.3607
Pocket No.: 4; Query (leader) PDB : 2HYQ; Ligand: MAN MAN; Similar sites found: 9
This union binding pocket(no: 4) in the query (biounit: 2hyq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ZPA ACO 0.02183 0.42121 4.91803
2 4ZGS NAD 0.03052 0.41808 4.91803
3 4GKY MAN 0.0009433 0.40869 4.91803
4 2AR6 NAG MAN MAN MAN NAG 0.0000006041 0.40776 6.55738
5 1VRP ADP 0.005492 0.42658 10.6557
6 1M15 ADP 0.01204 0.44241 14.7541
7 1M15 ARG 0.01204 0.44241 14.7541
8 5IQD RIO 0.02681 0.40911 24.5902
9 5IQD GNP 0.02582 0.40911 24.5902
Pocket No.: 5; Query (leader) PDB : 2HYQ; Ligand: MAN MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 2hyq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 2HYQ; Ligand: MAN MAN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 2hyq.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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