Receptor
PDB id Resolution Class Description Source Keywords
3VY6 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN PANCREATIC SECRETORY PROTEIN ZG16 LAMINARIBIOSE HOMO SAPIENS BETA-PRISM FOLD SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR MULTIPLE SUGAR RECOGNITION OF JACALIN-RELATED HUMAN ZG16P LECTIN J.BIOL.CHEM. V. 289 16954 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CL A:704;
A:703;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
BGC BGC A:701;
Valid;
none;
Kd = 7 mM
326.298 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3VY6 2 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HUMAN PANCREATIC SECRETORY PROTEIN ZG16 LAMINARIBIOSE HOMO SAPIENS BETA-PRISM FOLD SUGAR BINDING PROTEIN
Ref.: STRUCTURAL BASIS FOR MULTIPLE SUGAR RECOGNITION OF JACALIN-RELATED HUMAN ZG16P LECTIN J.BIOL.CHEM. V. 289 16954 2014
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 3VY6 Kd = 7 mM BGC BGC n/a n/a
2 3VZE Kd = 13 mM MAN MAN n/a n/a
3 3VY7 - SER MAN n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 3VY6 Kd = 7 mM BGC BGC n/a n/a
2 3VZE Kd = 13 mM MAN MAN n/a n/a
3 3VY7 - SER MAN n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 3VY6 Kd = 7 mM BGC BGC n/a n/a
2 3VZE Kd = 13 mM MAN MAN n/a n/a
3 3VY7 - SER MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC BGC; Similar ligands found: 226
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC BGC 1 1
2 AGL GLC 0.607143 0.772727
3 GAL NAG GAL BGC 0.605634 0.723404
4 GAL BGC BGC XYS 0.590909 0.916667
5 G2F BGC BGC BGC BGC BGC 0.57377 0.846154
6 NAG BMA 0.57377 0.708333
7 BGC BGC XYS BGC XYS GAL 0.573333 0.944444
8 N9S 0.566038 0.914286
9 GLC GAL 0.566038 0.914286
10 BMA BMA 0.566038 0.914286
11 GAL BGC 0.566038 0.914286
12 B2G 0.566038 0.914286
13 CBK 0.566038 0.914286
14 BMA GAL 0.566038 0.914286
15 LAT 0.566038 0.914286
16 CBI 0.566038 0.914286
17 BGC GAL 0.566038 0.914286
18 MAB 0.566038 0.914286
19 MAL 0.566038 0.914286
20 BGC BMA 0.566038 0.914286
21 LBT 0.566038 0.914286
22 LAT GLA 0.54717 0.914286
23 TRE 0.543478 0.914286
24 BGC BGC BGC XYS GAL 0.541667 0.916667
25 BQZ 0.54 0.882353
26 M3M 0.537037 0.914286
27 GLC BGC 0.537037 0.914286
28 GLA GLA 0.537037 0.914286
29 LB2 0.537037 0.914286
30 MAN GLC 0.537037 0.914286
31 NGR 0.537037 0.914286
32 GLA GAL 0.537037 0.914286
33 GLC GLC 0.537037 0.914286
34 KHO 0.527273 0.864865
35 GLC BGC BGC BGC 0.526316 0.914286
36 CE6 0.526316 0.914286
37 GLC BGC BGC BGC BGC BGC 0.526316 0.914286
38 BGC GLC GLC GLC GLC GLC GLC 0.526316 0.914286
39 CE8 0.526316 0.914286
40 MAN BMA BMA BMA BMA 0.526316 0.914286
41 BMA BMA BMA BMA BMA 0.526316 0.914286
42 BGC BGC BGC BGC 0.526316 0.914286
43 BMA BMA BMA BMA BMA BMA 0.526316 0.914286
44 GLC GAL GAL 0.526316 0.914286
45 CTT 0.526316 0.914286
46 U63 0.526316 0.820513
47 GLC BGC BGC BGC BGC 0.526316 0.914286
48 CT3 0.526316 0.914286
49 BGC GLC GLC 0.526316 0.914286
50 BGC BGC BGC 0.526316 0.914286
51 DXI 0.526316 0.914286
52 MT7 0.526316 0.914286
53 BGC GLC GLC GLC GLC 0.526316 0.914286
54 BMA MAN BMA 0.526316 0.914286
55 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.526316 0.914286
56 MLR 0.526316 0.914286
57 GLC BGC BGC 0.526316 0.914286
58 GAL GAL GAL 0.526316 0.914286
59 GLC GLC GLC GLC GLC 0.526316 0.914286
60 MAN MAN BMA BMA BMA BMA 0.526316 0.914286
61 MAN BMA BMA BMA BMA BMA 0.526316 0.914286
62 CE5 0.526316 0.914286
63 GLA GAL GLC 0.526316 0.914286
64 B4G 0.526316 0.914286
65 BGC GLC GLC GLC 0.526316 0.914286
66 MTT 0.526316 0.914286
67 CEY 0.526316 0.914286
68 GLC BGC GLC 0.526316 0.914286
69 BMA BMA BMA 0.526316 0.914286
70 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.526316 0.914286
71 GLA GAL BGC 0.526316 0.914286
72 CTR 0.526316 0.914286
73 MAN BMA BMA 0.526316 0.914286
74 BGC BGC GLC 0.526316 0.914286
75 BGC BGC BGC GLC 0.526316 0.914286
76 CEX 0.526316 0.914286
77 NOJ GLC 0.525424 0.755556
78 BGC GLC 0.518519 0.914286
79 BMA MAN 0.518519 0.914286
80 2M4 0.518519 0.914286
81 DR5 0.517857 0.864865
82 RZM 0.517857 0.711111
83 MMA MAN 0.517857 0.864865
84 GLC BGC BGC BGC BGC BGC BGC 0.517241 0.914286
85 GLC GLC BGC 0.517241 0.914286
86 GLC GLC GLC 0.517241 0.914286
87 BGC BGC BGC GLC BGC BGC 0.517241 0.914286
88 BGC BGC BGC BGC BGC BGC 0.517241 0.914286
89 5QP 0.517241 0.970588
90 GLC GLC GLC GLC 0.517241 0.914286
91 DOM 0.508772 0.916667
92 IFM BGC 0.508475 0.733333
93 IFM BMA 0.508475 0.733333
94 MAL EDO 0.508475 0.916667
95 BMA IFM 0.508475 0.733333
96 GLA GAL GAL 0.508197 0.914286
97 QPU 0.507246 0.790698
98 BGC BGC XYS XYS GAL 0.506494 0.916667
99 GLC DMJ 0.5 0.755556
100 BGC BGC BGC XYS BGC BGC 0.5 0.916667
101 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.5 0.916667
102 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.5 0.916667
103 A2G GAL 0.5 0.708333
104 GAL BGC BGC BGC XYS BGC XYS 0.493671 0.916667
105 BGC BGC BGC XYS BGC XYS GAL 0.493671 0.916667
106 BMA BMA MAN GLA GLA 0.492308 0.914286
107 GLA EGA 0.491525 0.864865
108 GAL MBG 0.491228 0.864865
109 MAN MMA 0.491228 0.864865
110 M13 0.491228 0.864865
111 MDM 0.491228 0.864865
112 GLA MBG 0.490909 0.864865
113 GLC GLC XYP 0.484848 0.914286
114 9MR 0.483333 0.767442
115 BGC OXZ 0.483333 0.6875
116 BGC BGC XYS BGC XYS XYS GAL 0.481481 0.916667
117 GAL NAG GAL 0.479452 0.723404
118 BGC BGC BGC BGC BGC BGC BGC BGC 0.476923 0.914286
119 GAL NDG 0.47619 0.680851
120 NLC 0.47619 0.680851
121 NOY BGC 0.47541 0.653061
122 FMO 0.47541 0.8
123 MAN MNM 0.47541 0.653061
124 GAL FUC 0.474576 0.861111
125 NAG NAG BMA 0.472973 0.653846
126 NAG NDG BMA 0.472973 0.653846
127 GLC BGC BGC XYS BGC XYS XYS GAL 0.46988 0.916667
128 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.46988 0.916667
129 GAL XYS XYS BGC BGC XYS BGC BGC 0.46988 0.916667
130 GAL XYS BGC BGC XYS XYS BGC GAL BGC 0.46988 0.916667
131 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.46988 0.916667
132 GAL BGC BGC BGC XYS XYS 0.46988 0.916667
133 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.46988 0.916667
134 XYS BGC GAL BGC BGC BGC XYS GAL XYS 0.46988 0.916667
135 XYS GAL GLC BGC BGC XYS BGC XYS 0.46988 0.916667
136 MVP 0.467742 0.717391
137 ABL 0.467742 0.6875
138 CGC 0.467742 0.861111
139 G3I 0.462687 0.75
140 OXZ BGC BGC 0.462687 0.673469
141 G2I 0.462687 0.75
142 MAN G63 0.460317 0.708333
143 MAN MAN BMA 0.459016 0.914286
144 BMA BMA MAN 0.459016 0.914286
145 XYS BGC BGC XYS BGC XYS BGC GAL XYS BGC BGC 0.458824 0.916667
146 MAN 7D1 0.457627 0.916667
147 AHR XYS XYS 0.455882 0.891892
148 FUC GLC BGC GAL 0.454545 0.888889
149 FUC BGC GAL 0.454545 0.888889
150 GLC BDF 0.453125 0.944444
151 8VZ 0.453125 0.627451
152 BMA MAN MAN MAN 0.453125 0.914286
153 GLA GAL BGC 5VQ 0.453125 0.820513
154 BGC BGC BGC BGC BGC BGC BGC 0.451613 0.914286
155 BGC BGC BGC BGC BGC 0.451613 0.914286
156 GLC GLC XYS 0.449275 0.888889
157 BGC BGC BGC XYS BGC XYS XYS 0.447368 0.916667
158 BGC BGC XYS BGC XYS BGC XYS 0.447368 0.916667
159 XYS BGC BGC XYS BGC BGC XYS 0.447368 0.916667
160 XYS BGC BGC XYS BGC XYS BGC 0.447368 0.916667
161 GLC BGC BGC XYS BGC XYS XYS 0.447368 0.916667
162 MAN MAN MAN 0.446154 0.914286
163 MAN BMA MAN 0.446154 0.914286
164 BGC BGC XYS BGC 0.445946 0.916667
165 LSE 0.442857 0.64
166 BMA BMA BMA GLA BMA 0.442857 0.914286
167 BMA BMA GLA BMA BMA 0.442857 0.914286
168 W9T 0.442623 0.820513
169 FRU GAL 0.442623 0.820513
170 BMA FRU 0.442623 0.820513
171 FUC GLA GLA 0.439394 0.888889
172 GAL GAL FUC 0.439394 0.888889
173 GLA GLA FUC 0.439394 0.888889
174 FUC GAL GLA 0.439394 0.888889
175 GLA GAL FUC 0.439394 0.888889
176 NAG NAG BMA MAN 0.439024 0.653846
177 AHR XYP XYP XYP 0.438356 0.891892
178 GDQ GLC 0.4375 0.6875
179 MAN BMA NAG 0.43662 0.680851
180 GLA GAL NAG 0.43662 0.680851
181 GLA MMA ABE 0.43662 0.846154
182 XYS GAL FUC 0.43662 0.916667
183 GLA MAN ABE 0.43662 0.891892
184 GLA GAL GLC NBU 0.432836 0.780488
185 GAL GAL SO4 0.432836 0.615385
186 GAL NAG 0.430769 0.680851
187 GAL NGA 0.430769 0.680851
188 GAL A2G 0.430769 0.680851
189 NAG GAL 0.430769 0.680851
190 GAL MGC 0.430769 0.653061
191 GLC IFM 0.428571 0.711111
192 MAN IFM 0.428571 0.711111
193 MAN MAN MAN GLC 0.426471 0.914286
194 BGC BGC BGC FRU 0.426471 0.846154
195 UMQ 0.42029 0.767442
196 LMU 0.42029 0.767442
197 DMU 0.42029 0.767442
198 LMT 0.42029 0.767442
199 MAN DGO 0.419355 0.888889
200 10M 0.416667 0.717391
201 T6P 0.416667 0.711111
202 SOR GLC GLC 0.414286 0.942857
203 CM5 0.413333 0.868421
204 BGC GLA GAL FUC 0.413333 0.888889
205 ISX 0.412698 0.744186
206 GYP 0.411765 0.833333
207 AMG 0.411765 0.833333
208 MMA 0.411765 0.833333
209 MBG 0.411765 0.833333
210 NAG GAL GAL NAG GAL 0.410256 0.64
211 FUC NAG GLA GAL 0.409639 0.6875
212 GLC GLC GLC BGC 0.408451 0.914286
213 GAL NOK 0.408451 0.62963
214 M5S 0.408451 0.914286
215 MAN BMA MAN MAN MAN 0.408451 0.914286
216 EBG 0.40678 0.864865
217 GAL NAG MAN 0.405405 0.680851
218 AHR XYS XYP XYP XYP 0.405405 0.891892
219 XYT 0.402985 0.711111
220 GLO GLC GLC GLC 0.402778 0.942857
221 SOR GLC GLC GLC 0.402778 0.942857
222 6UZ 0.402778 0.825
223 GAL BGC NAG GAL 0.402597 0.680851
224 GLC 7LQ 0.4 0.861111
225 3CU GLC 0.4 0.634615
226 P3M 0.4 0.711111
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3VY6; Ligand: BGC BGC; Similar sites found with APoc: 18
This union binding pocket(no: 1) in the query (biounit: 3vy6.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 1ZGS XMM 28.3688
2 1ZGS XMM 28.3688
3 1ZGS XMM 28.3688
4 1ZGS XMM 28.3688
5 1ZGS XMM 28.3688
6 1XXR MAN 29.078
7 1XXR MAN 29.078
8 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 29.078
9 5XFI NAG NAG BMA MAN MAN NAG GAL NAG 29.078
10 1XXR MAN 29.078
11 6FLZ MMA 31.2057
12 6FLZ MMA 31.2057
13 6FLZ MMA 31.2057
14 2BMZ XLM 35.461
15 2BMZ XLM 35.461
16 2BMZ XLM 35.461
17 2BMZ XLM 35.461
18 1C3M MAN MAN 46.8085
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