Receptor
PDB id Resolution Class Description Source Keywords
3RX5 1.99 Å EC: 3.2.1.4 STRUCTURE OF AACEL9A IN COMPLEX WITH CELLOTRIOSE-LIKE ISOFAG ALICYCLOBACILLUS ACIDOCALDARIUS SUBSP.ACIDOCALDARIUS GH9 FAMILY FOLD ENDOGLUCANASE HYDROLASE-HYDROLASE INHIBITO
Ref.: A FORTUITOUS BINDING OF INHIBITORS-DERIVED ISOFAGOM INVERTING GH9 BETA-GLYCOSIDASE ORG.BIOMOL.CHEM. V. 9 5945 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:538;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
CBI A:605;
Valid;
none;
submit data
342.296 C12 H22 O11 C([C@...
G2I A:604;
Valid;
none;
submit data
471.454 C18 H33 N O13 C1[C@...
ZN A:539;
Part of Protein;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3RX5 1.99 Å EC: 3.2.1.4 STRUCTURE OF AACEL9A IN COMPLEX WITH CELLOTRIOSE-LIKE ISOFAG ALICYCLOBACILLUS ACIDOCALDARIUS SUBSP.ACIDOCALDARIUS GH9 FAMILY FOLD ENDOGLUCANASE HYDROLASE-HYDROLASE INHIBITO
Ref.: A FORTUITOUS BINDING OF INHIBITORS-DERIVED ISOFAGOM INVERTING GH9 BETA-GLYCOSIDASE ORG.BIOMOL.CHEM. V. 9 5945 2011
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 3RX7 - G3I C24 H43 N O18 C1[C@@H]([....
2 3RX5 - CBI C12 H22 O11 C([C@@H]1[....
3 3H3K - GLC BGC BGC BGC 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 37 families.
1 3RX7 - G3I C24 H43 N O18 C1[C@@H]([....
2 3RX5 - CBI C12 H22 O11 C([C@@H]1[....
3 3H3K - GLC BGC BGC BGC 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 27 families.
1 3RX7 - G3I C24 H43 N O18 C1[C@@H]([....
2 3RX5 - CBI C12 H22 O11 C([C@@H]1[....
3 3H3K - GLC BGC BGC BGC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: CBI; Similar ligands found: 339
No: Ligand ECFP6 Tc MDL keys Tc
1 LBT 1 1
2 GLC BGC 1 1
3 MAL MAL 1 0.970588
4 BGC GLC 1 1
5 CBI 1 1
6 GAL BGC 1 1
7 CBK 1 1
8 BGC BMA 1 1
9 N9S 1 1
10 GLA GLA 1 1
11 BGC GAL 1 1
12 GAL GLC 1 1
13 GLC GAL 1 1
14 BMA BMA 1 1
15 GLA GAL 1 1
16 BMA GAL 1 1
17 LAT 1 1
18 MAB 1 1
19 MAL 1 1
20 B2G 1 1
21 CEX 0.909091 1
22 BGC GLC GLC GLC GLC 0.909091 1
23 GLC GLC GLC GLC GLC 0.909091 1
24 CTR 0.909091 1
25 MTT 0.909091 1
26 CE5 0.909091 1
27 BMA BMA BMA BMA BMA 0.909091 1
28 CTT 0.909091 1
29 CT3 0.909091 1
30 GLC GLC GLC GLC GLC GLC GLC 0.909091 1
31 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
32 BGC BGC BGC GLC 0.909091 1
33 CEY 0.909091 1
34 MAN MAN BMA BMA BMA BMA 0.909091 1
35 BMA BMA BMA 0.909091 1
36 B4G 0.909091 1
37 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
38 GLC GAL GAL 0.909091 1
39 GLA GAL GLC 0.909091 1
40 GAL GAL GAL 0.909091 1
41 MAN BMA BMA BMA BMA 0.909091 1
42 MLR 0.909091 1
43 CE8 0.909091 1
44 MT7 0.909091 1
45 CE6 0.909091 1
46 GLC BGC BGC BGC BGC BGC 0.909091 1
47 GLC GLC BGC 0.909091 1
48 GLC BGC BGC 0.909091 1
49 GLC BGC GLC 0.909091 1
50 BMA MAN BMA 0.909091 1
51 GLC GLC BGC GLC GLC GLC GLC 0.909091 1
52 BGC GLC GLC 0.909091 1
53 BGC GLC GLC GLC 0.909091 1
54 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
55 DXI 0.909091 1
56 BMA BMA BMA BMA BMA BMA 0.909091 1
57 GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
58 GLC BGC BGC BGC BGC 0.909091 1
59 BGC BGC BGC BGC BGC BGC 0.909091 1
60 MAN BMA BMA 0.909091 1
61 MAN BMA BMA BMA BMA BMA 0.833333 0.970588
62 BMA BMA BMA BMA BMA BMA MAN 0.833333 0.970588
63 GLA GAL GAL 0.816327 1
64 GLA GAL BGC 0.816327 1
65 BGC BGC BGC BGC 0.754717 1
66 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
67 BMA BMA GLA BMA BMA 0.689655 1
68 LAT GLA 0.680851 1
69 GLC GLC GLC BGC 0.672414 1
70 BGC BGC GLC 0.660377 1
71 U63 0.647059 0.891892
72 DR5 0.64 0.942857
73 MMA MAN 0.64 0.942857
74 GLA EGA 0.634615 0.942857
75 BMA BMA MAN 0.615385 0.970588
76 GAL FUC 0.615385 0.941176
77 BGC BGC 0.612245 1
78 MAN MAN 0.612245 1
79 2M4 0.612245 1
80 GLC GAL FUC 0.610169 0.970588
81 GLC GLC GLC GLC GLC GLC 0.610169 1
82 FUC LAT 0.610169 0.970588
83 FUC GAL GLC 0.610169 0.970588
84 BGC GAL FUC 0.610169 0.970588
85 LAT FUC 0.610169 0.970588
86 BGC GLA GAL FUC 0.609375 0.970588
87 GAL NAG GAL BGC 0.606061 0.733333
88 LAT NAG GAL 0.606061 0.733333
89 GLC GLC BGC XYS BGC XYS 0.606061 0.942857
90 BGC GAL NAG GAL 0.606061 0.733333
91 MAN GLC 0.6 1
92 LB2 0.6 1
93 M3M 0.6 1
94 SGA BGC 0.6 0.702128
95 MAL EDO 0.592593 0.942857
96 BGC BGC BGC XYS GAL 0.588235 0.942857
97 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
98 GLC GAL NAG GAL 0.588235 0.733333
99 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
100 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
101 NGA GAL BGC 0.587302 0.733333
102 TRE 0.581395 1
103 ABD 0.57971 0.75
104 NDG GAL 0.578947 0.733333
105 GAL NDG 0.578947 0.733333
106 5GO 0.578947 0.66
107 NLC 0.578947 0.733333
108 DEL 0.574074 0.970588
109 GAL NGA GLA BGC GAL 0.571429 0.733333
110 MVP 0.571429 0.733333
111 GAL BGC BGC XYS 0.569231 0.942857
112 GLC GLC FRU 0.569231 0.868421
113 BMA MAN 0.566038 0.914286
114 GLC GLC XYP 0.557377 1
115 BGC BGC XYS BGC 0.552239 0.942857
116 NAG GAL BGC 0.552239 0.733333
117 GLA GAL BGC 5VQ 0.551724 0.891892
118 G2F BGC BGC BGC BGC BGC 0.55 0.868421
119 GLA MBG 0.54902 0.942857
120 GLC ACI GLD GLC 0.547945 0.785714
121 GLC G6D ACI GLC 0.547945 0.785714
122 GLC ACI G6D BGC 0.547945 0.785714
123 GLC G6D ADH GLC 0.547945 0.785714
124 GLC BGC BGC BGC 0.545455 1
125 BGC BGC BGC ASO BGC BGC ASO 0.545455 1
126 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
127 BGC BGC BGC 0.545455 1
128 BGC BGC BGC GLC BGC BGC 0.545455 1
129 BGC BGC BGC BGC BGC 0.545455 1
130 MAN MAN BMA 0.535714 1
131 NGA GLA GAL BGC 0.535211 0.733333
132 BMA MAN MAN 0.534483 1
133 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
134 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
135 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
136 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
137 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
138 GLA GAL GLC NBU 0.52459 0.846154
139 FUC BGC GAL 0.52459 0.970588
140 GLC ACI GLD GAL 0.519481 0.733333
141 GLC ACI G6D GLC 0.519481 0.733333
142 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.785714
143 GLC BGC BGC BGC XYS BGC XYS XYS 0.513514 0.916667
144 DOM 0.509091 0.942857
145 GAL GAL SO4 0.508197 0.702128
146 DMU 0.507937 0.785714
147 LMT 0.507937 0.785714
148 LMU 0.507937 0.785714
149 G2I 0.507937 0.767442
150 G3I 0.507937 0.767442
151 OXZ BGC BGC 0.507937 0.6875
152 UMQ 0.507937 0.785714
153 GLC AGL GLC HMC 0.506329 0.717391
154 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
155 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
156 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
157 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
158 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
159 NAG GAL GAL 0.5 0.733333
160 SOR GLC GLC 0.5 0.970588
161 GAL GAL GLC EMB MEC 0.5 0.622642
162 FMO 0.5 0.868421
163 MAN BMA NAG 0.5 0.733333
164 GLA GAL NAG 0.5 0.733333
165 8VZ 0.5 0.673469
166 GLC GLC ACI G6D GLC GLC 0.493827 0.733333
167 GLC GLC AGL HMC GLC 0.493827 0.733333
168 GLC GLC DAF BGC 0.493827 0.733333
169 AAO 0.493827 0.733333
170 ARE 0.493827 0.733333
171 ACR GLC GLC GLC 0.493827 0.733333
172 GLC GLC XYS 0.492308 0.970588
173 CGC 0.491525 0.941176
174 5QP 0.491228 0.885714
175 MDM 0.490909 0.942857
176 RZM 0.490909 0.688889
177 M13 0.490909 0.942857
178 GAL MBG 0.490909 0.942857
179 GLC GLC GLC G6D ADH GLC 0.487805 0.6875
180 BGC BGC G2F SHG 0.485714 0.846154
181 MAN NAG GAL 0.485294 0.733333
182 GAL NAG MAN 0.485294 0.733333
183 6UZ 0.484848 0.846154
184 SOR GLC GLC GLC 0.484848 0.970588
185 LAG 0.484848 0.6
186 MAN MNM 0.482759 0.75
187 GAL BGC NAG GAL 0.478873 0.733333
188 10M 0.477612 0.733333
189 GTM BGC BGC 0.477612 0.868421
190 MAN MAN MAN MAN 0.476923 1
191 MAN MAN BMA MAN 0.476923 1
192 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
193 NAG BMA 0.47619 0.653061
194 GAL NGA 0.47541 0.733333
195 GAL A2G 0.47541 0.733333
196 A2G GAL 0.47541 0.733333
197 BMA GLA 0.472727 1
198 LAK 0.472727 1
199 GAL GAL 0.472727 1
200 GLA GLC 0.472727 1
201 MLB 0.472727 1
202 GLA BMA 0.472727 1
203 BGC GLA 0.472727 1
204 MAN BMA 0.472727 1
205 GLA BGC 0.472727 1
206 NPJ 0.470588 0.622642
207 FUC GAL NAG GAL BGC 0.469136 0.717391
208 MAN MAN MAN GLC 0.46875 1
209 ABL 0.466667 0.702128
210 BMA FRU 0.465517 0.842105
211 FRU GAL 0.465517 0.842105
212 NOY BGC 0.465517 0.75
213 TM6 0.463768 0.916667
214 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
215 LSE 0.462687 0.6875
216 GLA GLA FUC 0.460317 0.970588
217 FUC GAL GLA 0.460317 0.970588
218 GAL GAL FUC 0.460317 0.970588
219 GLA GAL FUC 0.460317 0.970588
220 FUC GLA GLA 0.460317 0.970588
221 DAF BGC 0.458333 0.785714
222 DAF GLC 0.458333 0.785714
223 IFM BMA 0.457627 0.744186
224 BGC OXZ 0.457627 0.666667
225 IFM BGC 0.457627 0.744186
226 BMA IFM 0.457627 0.744186
227 9MR 0.457627 0.744186
228 GLO GLC GLC 0.457143 0.942857
229 RCB 0.457143 0.622642
230 GLC GLC GLC GLC GLC BGC 0.45614 1
231 GLC GLC GLC 0.45614 1
232 GLC GLC GLC GLC BGC 0.45614 1
233 MAN MAN MAN 0.45614 1
234 GLC 0.454545 0.848485
235 BMA 0.454545 0.848485
236 GXL 0.454545 0.848485
237 WOO 0.454545 0.848485
238 GIV 0.454545 0.848485
239 GAL 0.454545 0.848485
240 MAN 0.454545 0.848485
241 BGC 0.454545 0.848485
242 ALL 0.454545 0.848485
243 GLA 0.454545 0.848485
244 GLC GLC GLC GLC 0.453125 1
245 MGL SGC GLC GLC 0.450704 0.868421
246 CM5 0.450704 0.891892
247 MAN MAN MAN BMA MAN 0.450704 1
248 BGC BGC SGC MGL 0.450704 0.868421
249 GLC DMJ 0.45 0.727273
250 A2G GAL BGC FUC 0.45 0.717391
251 GLC GLC GLC PO4 SGC GLC 0.45 0.673469
252 NOJ GLC 0.45 0.727273
253 PA1 GCS 0.448276 0.804878
254 GCS GCS 0.448276 0.804878
255 M5S 0.447761 1
256 MAN BMA MAN MAN MAN 0.447761 1
257 GLC GLC XYS XYS 0.447761 0.914286
258 DAF BGC GLC 0.447368 0.785714
259 TXT 0.447368 0.767442
260 GAC 0.447368 0.767442
261 DAF GLC GLC 0.447368 0.785714
262 ACI GLD GLC GAL 0.447368 0.785714
263 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
264 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
265 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
266 NAG GAL GAL NAG GAL 0.445946 0.6875
267 NAG GAL GAL NAG 0.445946 0.6875
268 MA4 0.444444 0.891892
269 QV4 0.444444 0.733333
270 GLO GLC GLC GLC 0.444444 0.942857
271 MAN DGO 0.440678 0.914286
272 3SA 0.44 0.733333
273 Z6J 0.439024 0.742857
274 AHR 0.439024 0.742857
275 32O 0.439024 0.742857
276 FUB 0.439024 0.742857
277 RIB 0.439024 0.742857
278 T6P 0.438596 0.767442
279 GYP 0.4375 0.857143
280 AMG 0.4375 0.857143
281 MMA 0.4375 0.857143
282 MBG 0.4375 0.857143
283 4MU BGC BGC 0.434211 0.767442
284 ISX 0.433333 0.761905
285 MAN 7D1 0.431034 0.888889
286 QPS 0.43038 0.733333
287 ACR 0.43038 0.733333
288 4MU BGC BGC BGC BGC 0.428571 0.767442
289 GAL MGC 0.428571 0.702128
290 GAL NGA A2G 0.426471 0.673469
291 FUC NAG GAL 0.422535 0.717391
292 FUC NDG GAL 0.422535 0.717391
293 GAL NAG FUC 0.422535 0.717391
294 GAL NDG FUC 0.422535 0.717391
295 KHO 0.421053 0.888889
296 HMC AGL GLC 0.421053 0.717391
297 GCS GCS GCS GCS GCS 0.419355 0.804878
298 GCS GCS GCS GCS GCS GCS 0.419355 0.804878
299 GCS GCS GCS 0.419355 0.804878
300 GAL NAG GAL 0.418919 0.702128
301 GAL NGT 0.41791 0.66
302 P3M 0.41791 0.767442
303 NGT GAL 0.41791 0.66
304 ACR GLC GLC GLC GLC 0.417722 0.733333
305 ACR GLC 0.417722 0.733333
306 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
307 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
308 TUR 0.416667 0.842105
309 BTU 0.416667 0.842105
310 GLA MAN ABE 0.414286 0.916667
311 NAG NDG BMA 0.413333 0.634615
312 NAG NAG BMA 0.413333 0.634615
313 AHR AHR AHR 0.410714 0.857143
314 FUB AHR AHR 0.410714 0.857143
315 GLF B8D 0.409836 0.775
316 VAM 0.409836 0.868421
317 ACI G6D GLC ACI G6D BGC 0.409639 0.75
318 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.75
319 AC1 GLC AC1 BGC 0.409639 0.75
320 DAF GLC DAF GLC GLC 0.409639 0.75
321 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.75
322 ACI GLD GLC ACI G6D BGC 0.409639 0.75
323 MAN MMA MAN 0.409091 0.942857
324 AHR AHR 0.407407 0.857143
325 FUB AHR 0.407407 0.857143
326 NAG BMA MAN MAN MAN MAN 0.407407 0.733333
327 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.680851
328 4U0 0.406593 0.66
329 GLA MAN RAM ABE 0.405063 0.891892
330 BGC BGC SSG PIH 0.405063 0.767442
331 M1P 0.403846 0.697674
332 GL1 0.403846 0.697674
333 XGP 0.403846 0.697674
334 G1P 0.403846 0.697674
335 MAN IFM 0.403226 0.761905
336 GLC IFM 0.403226 0.761905
337 XZZ BGC BGC 0.402439 0.702128
338 ACG 0.402299 0.695652
339 FUC GAL 0.4 0.941176
Ligand no: 2; Ligand: G2I; Similar ligands found: 151
No: Ligand ECFP6 Tc MDL keys Tc
1 G2I 1 1
2 G3I 1 1
3 9MR 0.836364 0.976744
4 LAT GLA 0.62069 0.767442
5 OXZ BGC BGC 0.594203 0.857143
6 CE8 0.571429 0.767442
7 CEY 0.571429 0.767442
8 CE6 0.571429 0.767442
9 MAN BMA BMA 0.571429 0.767442
10 BGC BGC BGC BGC BGC BGC 0.571429 0.767442
11 GLC BGC BGC 0.571429 0.767442
12 CTT 0.571429 0.767442
13 GLA GAL GLC 0.571429 0.767442
14 BMA MAN BMA 0.571429 0.767442
15 BGC BGC BGC GLC 0.571429 0.767442
16 BGC GLC GLC 0.571429 0.767442
17 BGC GLC GLC GLC 0.571429 0.767442
18 CE5 0.571429 0.767442
19 MLR 0.571429 0.767442
20 GLC GLC GLC GLC GLC 0.571429 0.767442
21 BMA BMA BMA 0.571429 0.767442
22 CTR 0.571429 0.767442
23 GLC BGC GLC 0.571429 0.767442
24 GLC GLC BGC GLC GLC GLC GLC 0.571429 0.767442
25 CT3 0.571429 0.767442
26 BGC GLC GLC GLC GLC 0.571429 0.767442
27 BGC GLC GLC GLC GLC GLC GLC 0.571429 0.767442
28 BMA BMA BMA BMA BMA BMA 0.571429 0.767442
29 CEX 0.571429 0.767442
30 BMA BMA BMA BMA BMA 0.571429 0.767442
31 B4G 0.571429 0.767442
32 GLC GLC GLC GLC GLC GLC GLC 0.571429 0.767442
33 MTT 0.571429 0.767442
34 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.767442
35 GLC GAL GAL 0.571429 0.767442
36 GLC GLC BGC 0.571429 0.767442
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.767442
38 GLC BGC BGC BGC BGC BGC 0.571429 0.767442
39 GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.767442
40 MT7 0.571429 0.767442
41 GAL GAL GAL 0.571429 0.767442
42 DXI 0.571429 0.767442
43 GLC BGC BGC BGC BGC 0.571429 0.767442
44 MAN BMA BMA BMA BMA 0.571429 0.767442
45 MAN MAN BMA BMA BMA BMA 0.571429 0.767442
46 BGC BGC GLC 0.560606 0.767442
47 MMA MAN 0.539683 0.733333
48 DR5 0.539683 0.733333
49 BMA BMA BMA BMA BMA BMA MAN 0.537313 0.75
50 MAN BMA BMA BMA BMA BMA 0.537313 0.75
51 ISX 0.530303 0.953488
52 GLA GAL BGC 5VQ 0.521739 0.702128
53 G2F BGC BGC BGC BGC BGC 0.521127 0.6875
54 GLA GAL GLC NBU 0.521127 0.673469
55 GLA EGA 0.515152 0.733333
56 B2G 0.507937 0.767442
57 GAL GLC 0.507937 0.767442
58 LAT 0.507937 0.767442
59 GLA GLA 0.507937 0.767442
60 N9S 0.507937 0.767442
61 BGC BMA 0.507937 0.767442
62 GLC BGC 0.507937 0.767442
63 MAL MAL 0.507937 0.75
64 LBT 0.507937 0.767442
65 GLA GAL 0.507937 0.767442
66 CBI 0.507937 0.767442
67 BMA BMA 0.507937 0.767442
68 BGC GLC 0.507937 0.767442
69 GLC GAL 0.507937 0.767442
70 MAL 0.507937 0.767442
71 MAB 0.507937 0.767442
72 CBK 0.507937 0.767442
73 BGC GAL 0.507937 0.767442
74 GAL BGC 0.507937 0.767442
75 BMA GAL 0.507937 0.767442
76 MAL EDO 0.507463 0.772727
77 GLC GLC XYP 0.506849 0.767442
78 LAG 0.506667 0.689655
79 BGC BGC BGC BGC 0.5 0.767442
80 BGC BGC BGC BGC BGC BGC BGC BGC 0.5 0.767442
81 GLC GLC XYS 0.493333 0.75
82 GLC GLC GLC GLC GLC GLC 0.486486 0.767442
83 IFM BMA 0.485294 0.931818
84 IFM BGC 0.485294 0.931818
85 BMA IFM 0.485294 0.931818
86 MVP 0.471429 0.660377
87 BMA BMA GLA BMA BMA 0.467532 0.767442
88 SOR GLC GLC GLC 0.467532 0.790698
89 MAN MNM 0.463768 0.8125
90 BGC OXZ 0.463768 0.836735
91 BMA MAN 0.462687 0.75
92 GLC GLC GLC BGC 0.454545 0.767442
93 BGC BGC G2F SHG 0.451219 0.673469
94 NOY BGC 0.449275 0.8125
95 5QP 0.449275 0.727273
96 UMQ 0.447368 0.666667
97 LMU 0.447368 0.666667
98 DMU 0.447368 0.666667
99 LMT 0.447368 0.666667
100 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.447059 0.813953
101 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.447059 0.813953
102 BGC BGC BGC XYS BGC BGC 0.447059 0.813953
103 GLA GAL BGC 0.444444 0.767442
104 GLA GAL GAL 0.444444 0.767442
105 SOR GLC GLC 0.441558 0.790698
106 DOM 0.441176 0.813953
107 M3M 0.439394 0.767442
108 MAN GLC 0.439394 0.767442
109 LB2 0.439394 0.767442
110 MGL SGC GLC GLC 0.439024 0.6875
111 BGC BGC SGC MGL 0.439024 0.6875
112 NOJ GLC 0.43662 0.829787
113 GLC DMJ 0.43662 0.829787
114 U63 0.434783 0.702128
115 GLO GLC GLC GLC 0.433735 0.772727
116 TRE 0.431034 0.767442
117 6UZ 0.43038 0.708333
118 GTM BGC BGC 0.425 0.6875
119 BGC BGC 0.424242 0.767442
120 2M4 0.424242 0.767442
121 GLA MBG 0.424242 0.733333
122 MAN MAN 0.424242 0.767442
123 GLC GLC BGC XYS BGC XYS 0.423529 0.813953
124 CM5 0.421687 0.73913
125 NGA GAL BGC 0.419753 0.76
126 GLC GLC G6D ACI GLC GLC GLC 0.419355 0.770833
127 MA4 0.416667 0.73913
128 BGC BGC XYS BGC 0.416667 0.813953
129 GAL FUC 0.414286 0.727273
130 BGC BGC BGC XYS GAL 0.413793 0.813953
131 GAL BGC NAG GAL 0.411765 0.76
132 ABL 0.410959 0.8
133 GLO GLC GLC 0.409639 0.772727
134 ABD 0.409091 0.77551
135 GLC BGC BGC BGC 0.408451 0.767442
136 BGC BGC BGC BGC BGC 0.408451 0.767442
137 GLC BGC BGC BGC BGC BGC BGC 0.408451 0.767442
138 BGC BGC BGC 0.408451 0.767442
139 BGC BGC BGC ASO BGC BGC ASO 0.408451 0.767442
140 BGC BGC BGC GLC BGC BGC 0.408451 0.767442
141 10M 0.407407 0.62963
142 RZM 0.405797 0.829787
143 BMA MAN MAN 0.405405 0.767442
144 4MU BGC BGC BGC BGC 0.404494 0.622642
145 TXT 0.404494 0.829787
146 GAC 0.404494 0.829787
147 GAL NGA GLA BGC GAL 0.404494 0.76
148 GAL NDG 0.4 0.76
149 8VZ 0.4 0.703704
150 NLC 0.4 0.76
151 NDG GAL 0.4 0.76
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3RX5; Ligand: G2I; Similar sites found: 2
This union binding pocket(no: 1) in the query (biounit: 3rx5.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DGR GCS 0.0001419 0.4247 31.2287
2 1RQ5 CTT 0.000000001599 0.69888 46.5549
Pocket No.: 2; Query (leader) PDB : 3RX5; Ligand: CBI; Similar sites found: 2
This union binding pocket(no: 2) in the query (biounit: 3rx5.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5DGR GCS 0.0001419 0.4247 31.2287
2 1RQ5 CTT 0.000000001599 0.69888 46.5549
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