Receptor
PDB id Resolution Class Description Source Keywords
1WLD 1.6 Å NON-ENZYME: BINDING CONGERIN II T88I SINGLE MUTANT CONGER MYRIASTER GALECTIN BETA-SANDWICH THERMOSTABILITY MUTANT SUGAR BINDING PROTEIN
Ref.: IN VITRO EVOLUTIONARY THERMOSTABILIZATION OF CONGERIN II: A LIMITED REPRODUCTION OF NATURAL PROTEIN EVOLUTION BY ARTIFICIAL SELECTION PRESSURE J.MOL.BIOL. V. 347 385 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL BGC A:401;
Valid;
none;
submit data
342.297 n/a O(C1O...
MES A:777;
Invalid;
none;
submit data
195.237 C6 H13 N O4 S C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1IS3 1.45 Å NON-ENZYME: BINDING LACTOSE AND MES-LIGANDED CONGERIN II CONGER MYRIASTER COMPLEX WITH LACTOSE AND MES SUGAR BINDING PROTEIN
Ref.: CRYSTAL STRUCTURE OF A CONGER EEL GALECTIN (CONGERI 1.45 A RESOLUTION: IMPLICATION FOR THE ACCELERATED OF A NEW LIGAND-BINDING SITE FOLLOWING GENE DUPLICA J.MOL.BIOL. V. 321 879 2002
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 403 families.
1 1WLW - GAL GLC n/a n/a
2 1IS3 - LAT C12 H22 O11 C(C1C(C(C(....
3 1IS4 - LAT C12 H22 O11 C(C1C(C(C(....
4 1WLD - GAL BGC 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 316 families.
1 1C1L - GAL BGC n/a n/a
2 1WLD - GAL BGC n/a n/a
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 242 families.
1 1C1L - GAL BGC n/a n/a
2 2YMZ Ka = 6000 M^-1 LAT C12 H22 O11 C(C1C(C(C(....
3 3OYW Kd = 78 uM TDG C12 H22 O10 S C(C1C(C(C(....
4 2ZKN - GAL BGC n/a n/a
5 3T2T - MQT C17 H22 O8 Cc1ccc(cc1....
6 3OY8 Kd = 220 uM GAL GCO n/a n/a
7 1A78 - TDG C12 H22 O10 S C(C1C(C(C(....
8 1GAN - NDG GAL n/a n/a
9 1WLW - GAL GLC n/a n/a
10 1IS3 - LAT C12 H22 O11 C(C1C(C(C(....
11 1IS4 - LAT C12 H22 O11 C(C1C(C(C(....
12 1WLD - GAL BGC n/a n/a
13 1SLC - NAG MAN GAL BMA NDG MAN NAG GAL n/a n/a
14 1SLB - NAG MAN GAL MAN MAN NAG GAL n/a n/a
15 1SLA - NAG MAN GAL BMA NAG MAN NAG GAL n/a n/a
16 1SLT - NDG GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL BGC; Similar ligands found: 286
No: Ligand ECFP6 Tc MDL keys Tc
1 LBT 1 1
2 CBK 1 1
3 GLC BGC 1 1
4 BGC GAL 1 1
5 MAL 1 1
6 CBI 1 1
7 MAL MAL 1 0.970588
8 BGC GLC 1 1
9 N9S 1 1
10 GLA GAL 1 1
11 GAL GLC 1 1
12 B2G 1 1
13 GLC GAL 1 1
14 GLC GLC 1 1
15 MAN BMA 1 1
16 BGC BMA 1 1
17 BMA GAL 1 1
18 MAB 1 1
19 GAL BGC 1 1
20 LAT 1 1
21 CTT 0.909091 1
22 BGC BGC BGC BGC BGC BGC 0.909091 1
23 BGC BGC BGC GLC 0.909091 1
24 GLC GLC BGC GLC GLC GLC GLC 0.909091 1
25 BGC GLC GLC GLC 0.909091 1
26 MTT 0.909091 1
27 GLC GLC GLC 0.909091 1
28 GLC GLC GLC GLC GLC GLC GLC 0.909091 1
29 CE5 0.909091 1
30 MAN BMA BMA BMA BMA BMA 0.909091 1
31 BGC BGC BGC BGC BGC 0.909091 1
32 GLC BGC BGC BGC BGC BGC 0.909091 1
33 BMA BMA BMA BMA BMA 0.909091 1
34 CEY 0.909091 1
35 MT7 0.909091 1
36 CEX 0.909091 1
37 BGC BGC BGC 0.909091 1
38 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
39 BMA BMA BMA BMA BMA BMA 0.909091 1
40 CE8 0.909091 1
41 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
42 DXI 0.909091 1
43 GLC GLC GLC GLC GLC GLC 0.909091 1
44 GLC GLC GLC GLC 0.909091 1
45 BGC BGC BGC BGC 0.909091 1
46 GLC BGC BGC 0.909091 1
47 GLC GLC GLC GLC GLC 0.909091 1
48 CE6 0.909091 1
49 CT3 0.909091 1
50 GLC BGC BGC BGC BGC 0.909091 1
51 GAL GAL GAL 0.909091 1
52 MLR 0.909091 1
53 MAN BMA BMA 0.909091 1
54 BGC GLC GLC GLC GLC 0.909091 1
55 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
56 BGC GLC GLC 0.909091 1
57 GLC GLC GLC BGC 0.909091 1
58 MAN MAN BMA BMA BMA BMA 0.909091 1
59 GLA GAL GLC 0.909091 1
60 CTR 0.909091 1
61 B4G 0.909091 1
62 GLC GLC GLC GLC BGC 0.909091 1
63 MAN BMA BMA BMA BMA 0.909091 1
64 GLA GAL BGC 0.816327 1
65 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
66 BMA BMA GLA BMA BMA 0.689655 1
67 BGC BGC GLC 0.660377 1
68 MMA MAN 0.64 0.942857
69 DR5 0.64 0.942857
70 GLA EGA 0.634615 0.942857
71 GLC GLC BGC 0.631579 1
72 GAL FUC 0.615385 0.941176
73 MAN MAN 0.612245 1
74 2M4 0.612245 1
75 FUC LAT 0.610169 0.970588
76 BGC GAL FUC 0.610169 0.970588
77 BGC GLA GAL FUC 0.609375 0.970588
78 BGC GAL NAG GAL 0.606061 0.733333
79 GLC GLC BGC XYS BGC XYS 0.606061 0.942857
80 SGA BGC 0.6 0.702128
81 LB2 0.6 1
82 M3M 0.6 1
83 GAL GAL 0.6 1
84 MAL EDO 0.592593 0.942857
85 GLC GAL NAG GAL 0.588235 0.733333
86 GAL NAG GAL BGC 0.588235 0.733333
87 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
88 BGC BGC BGC XYS GAL 0.588235 0.942857
89 TRE 0.581395 1
90 ABD 0.57971 0.75
91 GAL NAG 0.578947 0.733333
92 NLC 0.578947 0.733333
93 BMA BMA MAN 0.578947 0.942857
94 GAL NDG 0.578947 0.733333
95 NDG GAL 0.578947 0.733333
96 DEL 0.574074 0.970588
97 BMA BMA 0.566038 0.914286
98 BGC BGC 0.566038 0.914286
99 BMA MAN 0.566038 0.914286
100 GLC GLC XYP 0.557377 1
101 NAG GAL BGC 0.552239 0.733333
102 G2F BGC BGC BGC BGC BGC 0.55 0.868421
103 GLA MBG 0.54902 0.942857
104 GLC ACI G6D BGC 0.547945 0.785714
105 GLC ACI GLD GLC 0.547945 0.785714
106 GLC G6D ADH GLC 0.547945 0.785714
107 GLC G6D ACI GLC 0.547945 0.785714
108 GLC BGC BGC BGC 0.545455 1
109 BGC BGC BGC GLC BGC BGC 0.545455 1
110 BGC BGC BGC ASO BGC BGC ASO 0.545455 1
111 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
112 MAN MAN BMA 0.535714 1
113 NGA GLA GAL BGC 0.535211 0.733333
114 BMA MAN MAN 0.534483 1
115 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
116 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
117 GLA GAL GLC NBU 0.52459 0.846154
118 FUC BGC GAL 0.52459 0.970588
119 GLC ACI G6D GLC 0.519481 0.733333
120 GLC ACI GLD GAL 0.519481 0.733333
121 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.785714
122 GLC BGC BGC BGC XYS BGC XYS XYS 0.513514 0.916667
123 DOM 0.509091 0.942857
124 GAL GAL SO4 0.508197 0.702128
125 DMU 0.507937 0.785714
126 UMQ 0.507937 0.785714
127 LMT 0.507937 0.785714
128 G2I 0.507937 0.767442
129 G3I 0.507937 0.767442
130 OXZ BGC BGC 0.507937 0.6875
131 LMU 0.507937 0.785714
132 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
133 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
134 GLC AGL GLC HMC 0.506329 0.717391
135 MAN BMA NAG 0.5 0.733333
136 GLA GAL NAG 0.5 0.733333
137 SOR GLC GLC 0.5 0.970588
138 NAG GAL GAL 0.5 0.733333
139 GAL GAL GLC EMB MEC 0.5 0.622642
140 AAO 0.493827 0.733333
141 GLC GLC DAF BGC 0.493827 0.733333
142 ARE 0.493827 0.733333
143 GLC GLC ACI G6D GLC GLC 0.493827 0.733333
144 GLC GLC AGL HMC GLC 0.493827 0.733333
145 GLC GLC XYS 0.492308 0.970588
146 MAN MAN MAN 0.491803 1
147 M13 0.490909 0.942857
148 MDM 0.490909 0.942857
149 GLC GLC GLC G6D ADH GLC 0.487805 0.6875
150 BGC BGC G2F SHG 0.485714 0.846154
151 GAL NAG MAN 0.485294 0.733333
152 MAN NAG GAL 0.485294 0.733333
153 LAG 0.484848 0.6
154 SOR GLC GLC GLC 0.484848 0.970588
155 GTM BGC BGC 0.477612 0.868421
156 10M 0.477612 0.733333
157 MAN MAN BMA MAN 0.476923 1
158 MAN MAN MAN MAN 0.476923 1
159 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
160 NAG BMA 0.47619 0.653061
161 GAL A2G 0.47541 0.733333
162 NAG GAL 0.47541 0.733333
163 GAL NGA 0.47541 0.733333
164 A2G GAL 0.47541 0.733333
165 BGC GLA 0.472727 1
166 LAK 0.472727 1
167 GLA BGC 0.472727 1
168 BMA GLA 0.472727 1
169 MLB 0.472727 1
170 GLA GLC 0.472727 1
171 GLA BMA 0.472727 1
172 NPJ 0.470588 0.622642
173 FUC GAL NAG GAL BGC 0.469136 0.717391
174 MAN MAN MAN GLC 0.46875 1
175 ABL 0.466667 0.702128
176 BMA FRU 0.465517 0.842105
177 NOY BGC 0.465517 0.75
178 TM6 0.463768 0.916667
179 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
180 LSE 0.462687 0.6875
181 GAL GAL FUC 0.460317 0.970588
182 FUC GLA GLA 0.460317 0.970588
183 GLA GLA FUC 0.460317 0.970588
184 GLA GAL FUC 0.460317 0.970588
185 FUC GAL GLA 0.460317 0.970588
186 DAF BGC 0.458333 0.785714
187 DAF GLC 0.458333 0.785714
188 BGC OXZ 0.457627 0.666667
189 9MR 0.457627 0.744186
190 BMA IFM 0.457627 0.744186
191 IFM BMA 0.457627 0.744186
192 IFM BGC 0.457627 0.744186
193 GLO GLC GLC 0.457143 0.942857
194 RCB 0.457143 0.622642
195 GLC 0.454545 0.848485
196 BMA 0.454545 0.848485
197 MAN 0.454545 0.848485
198 BGC 0.454545 0.848485
199 GAL 0.454545 0.848485
200 GLA 0.454545 0.848485
201 ALL 0.454545 0.848485
202 GXL 0.454545 0.848485
203 MGL SGC GLC GLC 0.450704 0.868421
204 CM5 0.450704 0.891892
205 MAN MAN MAN BMA MAN 0.450704 1
206 BGC BGC SGC MGL 0.450704 0.868421
207 GLC DMJ 0.45 0.727273
208 GLC GLC GLC PO4 SGC GLC 0.45 0.673469
209 NOJ GLC 0.45 0.727273
210 A2G GAL BGC FUC 0.45 0.717391
211 GLC GLC XYS XYS 0.447761 0.914286
212 M5S 0.447761 1
213 MAN BMA MAN MAN MAN 0.447761 1
214 TXT 0.447368 0.767442
215 ACI GLD GLC GAL 0.447368 0.785714
216 DAF GLC GLC 0.447368 0.785714
217 DAF BGC GLC 0.447368 0.785714
218 GAC 0.447368 0.767442
219 NAG GAL GAL NAG GAL 0.445946 0.6875
220 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
221 NAG GAL GAL NAG 0.445946 0.6875
222 QV4 0.444444 0.733333
223 MA4 0.444444 0.891892
224 GLO GLC GLC GLC 0.444444 0.942857
225 3SA 0.44 0.733333
226 AHR 0.439024 0.742857
227 FUB 0.439024 0.742857
228 32O 0.439024 0.742857
229 RIB 0.439024 0.742857
230 Z6J 0.439024 0.742857
231 GYP 0.4375 0.857143
232 MMA 0.4375 0.857143
233 MBG 0.4375 0.857143
234 AMG 0.4375 0.857143
235 4MU BGC BGC 0.434211 0.767442
236 ISX 0.433333 0.761905
237 ACR 0.43038 0.733333
238 QPS 0.43038 0.733333
239 4MU BGC BGC BGC BGC 0.428571 0.767442
240 GAL MGC 0.428571 0.702128
241 GAL NAG FUC 0.422535 0.717391
242 FUC NAG GAL 0.422535 0.717391
243 FUC NDG GAL 0.422535 0.717391
244 GAL NDG FUC 0.422535 0.717391
245 HMC AGL GLC 0.421053 0.717391
246 KHO 0.421053 0.888889
247 GCS GCS GCS GCS GCS 0.419355 0.804878
248 GCS GCS GCS GCS GCS GCS 0.419355 0.804878
249 GAL NAG GAL 0.418919 0.702128
250 NGT GAL 0.41791 0.66
251 GAL NGT 0.41791 0.66
252 P3M 0.41791 0.767442
253 ACR GLC GLC GLC GLC 0.417722 0.733333
254 ACR GLC 0.417722 0.733333
255 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
256 TUR 0.416667 0.842105
257 BTU 0.416667 0.842105
258 GLA MAN ABE 0.414286 0.916667
259 NAG NAG BMA 0.413333 0.634615
260 NAG NDG BMA 0.413333 0.634615
261 FUB AHR AHR 0.410714 0.857143
262 AHR AHR AHR 0.410714 0.857143
263 GLF B8D 0.409836 0.775
264 VAM 0.409836 0.868421
265 ACI GLD GLC ACI G6D BGC 0.409639 0.75
266 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.75
267 ACI G6D GLC ACI G6D BGC 0.409639 0.75
268 DAF GLC DAF GLC GLC 0.409639 0.75
269 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.75
270 AC1 GLC AC1 BGC 0.409639 0.75
271 MAN MMA MAN 0.409091 0.942857
272 FUB AHR 0.407407 0.857143
273 AHR AHR 0.407407 0.857143
274 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.680851
275 BGC BGC SSG PIH 0.405063 0.767442
276 GLA MAN RAM ABE 0.405063 0.891892
277 GLA NAG GAL FUC 0.405063 0.717391
278 GL1 0.403846 0.697674
279 M1P 0.403846 0.697674
280 G1P 0.403846 0.697674
281 XGP 0.403846 0.697674
282 MAN IFM 0.403226 0.761905
283 GLC IFM 0.403226 0.761905
284 XZZ BGC BGC 0.402439 0.702128
285 ACG 0.402299 0.695652
286 FUC GAL 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1IS3; Ligand: LAT; Similar sites found: 43
This union binding pocket(no: 1) in the query (biounit: 1is3.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 3VV1 GAL FUC 3.214e-11 0.84854
2 3VV1 GAL FUC 3.454e-11 0.84629
3 1QKQ MAN 2.067e-08 0.71776
4 3M3E GAL A2G NPO 1.462e-08 0.70035
5 3M3E GAL A2G NPO 2.08e-08 0.69113
6 3QRC SCR 4.373e-06 0.54457
7 3QRC SCR 4.677e-06 0.54243
8 4L4J NAG NAG BMA MAN NAG 0.0003366 0.4775
9 1UMZ BGC BGC XYS BGC XYS GAL 0.0001672 0.44939
10 1I82 BGC BGC 0.0003355 0.4483
11 2IUW AKG 8.454e-05 0.44761
12 3MTX PGT 0.008084 0.44591
13 4K55 H6P 0.0009326 0.44538
14 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.00696 0.44362
15 3MTX PGT 0.007273 0.44315
16 4USI ATP 0.01106 0.43076
17 3TYZ XHP 0.01009 0.42789
18 4M1U A2G MBG 0.003434 0.42632
19 4KYS VIB 0.000748 0.42366
20 4D1J DGJ 0.002236 0.42226
21 4KYS VIB 0.0008269 0.42194
22 4D1J DGJ 0.002314 0.4215
23 4D1J DGJ 0.002311 0.4215
24 4D1J DGJ 0.002333 0.42131
25 4D1J DGJ 0.002439 0.42036
26 3TYZ PAB 0.01567 0.42035
27 1M15 ARG 0.02199 0.41818
28 1M15 ADP 0.02199 0.41818
29 4OCT AKG 0.0003175 0.41772
30 4OCT AKG 0.0003855 0.41502
31 4COQ SAN 0.003479 0.41341
32 3ZO7 K6H 0.0008301 0.41196
33 2WA4 069 0.0002865 0.41171
34 3KV5 OGA 0.00495 0.40825
35 3KV5 OGA 0.00495 0.40825
36 4D1J DGJ 0.002391 0.40364
37 3TZM 085 0.02758 0.40357
38 4D1J DGJ 0.00241 0.40351
39 4G7A AZM 0.003885 0.40305
40 2AXR ABL 0.007568 0.40108
41 3IAI AZM 0.004389 0.40059
42 4BQY FNT 0.000612 0.4002
43 3KV4 OGA 0.004269 0.4001
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