Receptor
PDB id Resolution Class Description Source Keywords
5JBE 2.1 Å EC: 2.4.1.5 4,6-ALPHA-GLUCANOTRANSFERASE GTFB FROM LACTOBACILLUS REUTERI COMPLEXED WITH AN ISOMALTO-MALTOPENTASACCHARIDE LACTOBACILLUS REUTERI 4 6-ALPHA-GLUCANOTRANSFERASE STARCH CONVERSION GH70 TRAN
Ref.: CRYSTAL STRUCTURE OF 4,6-ALPHA-GLUCANOTRANSFERASE S DIET-DRIVEN EVOLUTION OF GH70 ENZYMES FROM ALPHA-AM ORAL BACTERIA. STRUCTURE V. 25 231 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT B:1704;
B:1703;
B:1705;
A:1705;
B:1706;
A:1706;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
59.044 C2 H3 O2 CC(=O...
SO4 B:1702;
A:1704;
A:1702;
A:1703;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
CA A:1701;
B:1701;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
MAL B:1707;
Valid;
none;
submit data
342.296 C12 H22 O11 C([C@...
BGC A:1707;
Valid;
none;
submit data
180.156 C6 H12 O6 C([C@...
GLC GLC GLC GLC GLC B:1708;
A:1708;
Valid;
Valid;
none;
none;
submit data
828.72 n/a O(C1O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5JBE 2.1 Å EC: 2.4.1.5 4,6-ALPHA-GLUCANOTRANSFERASE GTFB FROM LACTOBACILLUS REUTERI COMPLEXED WITH AN ISOMALTO-MALTOPENTASACCHARIDE LACTOBACILLUS REUTERI 4 6-ALPHA-GLUCANOTRANSFERASE STARCH CONVERSION GH70 TRAN
Ref.: CRYSTAL STRUCTURE OF 4,6-ALPHA-GLUCANOTRANSFERASE S DIET-DRIVEN EVOLUTION OF GH70 ENZYMES FROM ALPHA-AM ORAL BACTERIA. STRUCTURE V. 25 231 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5JBE - MAL C12 H22 O11 C([C@@H]1[....
2 5JBF - MLR C18 H32 O16 C([C@@H]1[....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 5JBE - MAL C12 H22 O11 C([C@@H]1[....
2 5JBF - MLR C18 H32 O16 C([C@@H]1[....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5JBE - MAL C12 H22 O11 C([C@@H]1[....
2 5JBF - MLR C18 H32 O16 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MAL; 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: BGC; Similar ligands found: 141
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL 1 1
2 BMA 1 1
3 GXL 1 1
4 GLA 1 1
5 ALL 1 1
6 GLC 1 1
7 BGC 1 1
8 GIV 1 1
9 MAN 1 1
10 WOO 1 1
11 32O 0.653846 0.866667
12 RIB 0.653846 0.866667
13 FUB 0.653846 0.866667
14 Z6J 0.653846 0.866667
15 AHR 0.653846 0.866667
16 BMA BMA MAN 0.545455 0.823529
17 GLA BGC 0.511628 0.848485
18 LAK 0.511628 0.848485
19 BGC GLA 0.511628 0.848485
20 GLA BMA 0.511628 0.848485
21 MAN BMA 0.511628 0.848485
22 GLA GLC 0.511628 0.848485
23 GAL GAL 0.511628 0.848485
24 MLB 0.511628 0.848485
25 BMA GLA 0.511628 0.848485
26 BMA BMA BMA BMA BMA BMA MAN 0.5 0.823529
27 YDR 0.5 0.8
28 MAN BMA BMA BMA BMA BMA 0.5 0.823529
29 GLC GLC GLC GLC BGC 0.488889 0.848485
30 GLC GLC GLC 0.488889 0.848485
31 MAN MAN MAN 0.488889 0.848485
32 GLC GLC GLC GLC GLC BGC 0.488889 0.848485
33 BGP 0.461538 0.675
34 G6P 0.461538 0.675
35 M6P 0.461538 0.675
36 A6P 0.461538 0.675
37 M6D 0.461538 0.675
38 BG6 0.461538 0.675
39 SHG 0.457143 0.875
40 GAF 0.457143 0.875
41 G2F 0.457143 0.875
42 X6X 0.457143 0.777778
43 2FG 0.457143 0.875
44 G3F 0.457143 0.875
45 PA1 0.457143 0.777778
46 1GN 0.457143 0.777778
47 GCS 0.457143 0.777778
48 2H5 0.457143 0.875
49 LB2 0.454545 0.848485
50 BGC BMA 0.454545 0.848485
51 BGC GAL 0.454545 0.848485
52 MAL 0.454545 0.848485
53 GLC GAL 0.454545 0.848485
54 M3M 0.454545 0.848485
55 GLA GAL 0.454545 0.848485
56 MAB 0.454545 0.848485
57 GLC BGC 0.454545 0.848485
58 BMA BMA 0.454545 0.848485
59 LBT 0.454545 0.848485
60 MAL MAL 0.454545 0.823529
61 CBK 0.454545 0.848485
62 GLA GLA 0.454545 0.848485
63 MAN GLC 0.454545 0.848485
64 CBI 0.454545 0.848485
65 N9S 0.454545 0.848485
66 GAL GLC 0.454545 0.848485
67 BMA GAL 0.454545 0.848485
68 B2G 0.454545 0.848485
69 BGC GLC 0.454545 0.848485
70 LAT 0.454545 0.848485
71 GAL BGC 0.454545 0.848485
72 3MG 0.444444 0.875
73 TCB 0.444444 0.8
74 GLC SGC 0.444444 0.8
75 YIO 0.441176 0.870968
76 2GS 0.432432 0.875
77 BGC BGC 0.431818 0.848485
78 2M4 0.431818 0.848485
79 MAN MAN 0.431818 0.848485
80 AHR AHR 0.428571 0.764706
81 GLF 0.428571 0.84375
82 FUB AHR 0.428571 0.764706
83 CT3 0.416667 0.848485
84 GLC BGC GLC 0.416667 0.848485
85 MLR 0.416667 0.848485
86 GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
87 GLC GLC GLC GLC GLC 0.416667 0.848485
88 GAL FUC 0.416667 0.848485
89 BMA BMA BMA 0.416667 0.848485
90 CTR 0.416667 0.848485
91 BGC GLC GLC 0.416667 0.848485
92 BGC GLC GLC GLC GLC 0.416667 0.848485
93 MAN MAN BMA BMA BMA BMA 0.416667 0.848485
94 GLC GAL GAL 0.416667 0.848485
95 B4G 0.416667 0.848485
96 CEX 0.416667 0.848485
97 MAN BMA BMA BMA BMA 0.416667 0.848485
98 BMA BMA BMA BMA BMA 0.416667 0.848485
99 GLC BGC BGC BGC BGC BGC 0.416667 0.848485
100 CTT 0.416667 0.848485
101 GLC GLC BGC 0.416667 0.848485
102 DXI 0.416667 0.848485
103 GLC GLC BGC GLC GLC GLC GLC 0.416667 0.848485
104 BGC GLC GLC GLC 0.416667 0.848485
105 BGC BGC BGC GLC 0.416667 0.848485
106 BGC BGC BGC BGC BGC BGC 0.416667 0.848485
107 BMA BMA BMA BMA BMA BMA 0.416667 0.848485
108 MTT 0.416667 0.848485
109 BMA MAN BMA 0.416667 0.848485
110 BGC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
111 CE5 0.416667 0.848485
112 GAL GAL GAL 0.416667 0.848485
113 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.416667 0.848485
114 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
115 GLA GAL GLC 0.416667 0.848485
116 CE6 0.416667 0.848485
117 GLC BGC BGC BGC BGC 0.416667 0.848485
118 GLC BGC BGC 0.416667 0.848485
119 MAN BMA BMA 0.416667 0.848485
120 MT7 0.416667 0.848485
121 GLC GLC GLC GLC GLC GLC GLC GLC 0.416667 0.848485
122 CE8 0.416667 0.848485
123 CEY 0.416667 0.848485
124 BGC BGC BGC 0.408163 0.848485
125 BGC BGC BGC BGC BGC 0.408163 0.848485
126 GLC BGC BGC BGC BGC BGC BGC 0.408163 0.848485
127 SGC SGC BGC 0.408163 0.8
128 GLC BGC BGC BGC 0.408163 0.848485
129 BGC BGC BGC ASO BGC BGC ASO 0.408163 0.848485
130 BGC BGC BGC GLC BGC BGC 0.408163 0.848485
131 TRE 0.405405 0.848485
132 1LL 0.405405 0.771429
133 TDG 0.405405 0.771429
134 BM3 0.404762 0.7
135 NDG 0.404762 0.7
136 NAG 0.404762 0.7
137 HSQ 0.404762 0.7
138 A2G 0.404762 0.7
139 NGA 0.404762 0.7
140 FUB AHR AHR 0.4 0.764706
141 AHR AHR AHR 0.4 0.764706
Ligand no: 3; Ligand: GLC GLC GLC GLC GLC; Similar ligands found: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GAL GLC 1 1
2 GLC GAL GAL 1 1
3 MAN MAN BMA BMA BMA BMA 1 1
4 CEX 1 1
5 MAN BMA BMA 1 1
6 CT3 1 1
7 MTT 1 1
8 BGC GLC GLC GLC 1 1
9 BGC BGC BGC GLC 1 1
10 GLC BGC GLC 1 1
11 CE8 1 1
12 MLR 1 1
13 BGC BGC BGC BGC BGC BGC BGC BGC BGC 1 1
14 GAL GAL GAL 1 1
15 BGC GLC GLC GLC GLC GLC GLC 1 1
16 MT7 1 1
17 GLC BGC BGC 1 1
18 CEY 1 1
19 BMA BMA BMA 1 1
20 GLC BGC BGC BGC BGC BGC 1 1
21 MAN BMA BMA BMA BMA 1 1
22 GLC GLC BGC GLC GLC GLC GLC 1 1
23 B4G 1 1
24 BGC GLC GLC 1 1
25 GLC GLC BGC 1 1
26 GLC GLC GLC GLC GLC GLC GLC 1 1
27 DXI 1 1
28 GLC BGC BGC BGC BGC 1 1
29 GLC GLC GLC GLC GLC GLC GLC GLC 1 1
30 GLC GLC GLC GLC GLC 1 1
31 CTT 1 1
32 BMA BMA BMA BMA BMA 1 1
33 BMA BMA BMA BMA BMA BMA 1 1
34 BGC GLC GLC GLC GLC 1 1
35 BMA MAN BMA 1 1
36 CE5 1 1
37 CTR 1 1
38 CE6 1 1
39 BGC BGC BGC BGC BGC BGC 1 1
40 GLC GLC GLC GLC GLC GLC GLC GLC GLC 1 1
41 BMA BMA BMA BMA BMA BMA MAN 0.916667 0.970588
42 MAN BMA BMA BMA BMA BMA 0.916667 0.970588
43 BGC BMA 0.909091 1
44 LBT 0.909091 1
45 LAT 0.909091 1
46 GLC BGC 0.909091 1
47 GAL GLC 0.909091 1
48 BGC GAL 0.909091 1
49 MAB 0.909091 1
50 GLA GLA 0.909091 1
51 BMA GAL 0.909091 1
52 B2G 0.909091 1
53 N9S 0.909091 1
54 BGC GLC 0.909091 1
55 CBK 0.909091 1
56 GLA GAL 0.909091 1
57 BMA BMA 0.909091 1
58 GLC GAL 0.909091 1
59 CBI 0.909091 1
60 GAL BGC 0.909091 1
61 MAL MAL 0.909091 0.970588
62 MAL 0.909091 1
63 BGC BGC BGC BGC 0.830189 1
64 BGC BGC BGC BGC BGC BGC BGC BGC 0.830189 1
65 LAT GLA 0.765957 1
66 BMA BMA GLA BMA BMA 0.758621 1
67 GLA GAL GAL 0.754717 1
68 GLA GAL BGC 0.754717 1
69 GLC GLC GLC BGC 0.741379 1
70 BGC BGC GLC 0.735849 1
71 GLC GLC GLC GLC GLC GLC 0.677966 1
72 DR5 0.653846 0.942857
73 MMA MAN 0.653846 0.942857
74 NGA GAL BGC 0.650794 0.733333
75 GLA EGA 0.648148 0.942857
76 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.647059 0.942857
77 BGC BGC BGC XYS BGC BGC 0.647059 0.942857
78 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.647059 0.942857
79 ABD 0.637681 0.75
80 GAL NGA GLA BGC GAL 0.628571 0.733333
81 GLC GLC XYP 0.622951 1
82 GLA GAL BGC 5VQ 0.62069 0.891892
83 GLC GLC BGC XYS BGC XYS 0.617647 0.942857
84 G2F BGC BGC BGC BGC BGC 0.616667 0.868421
85 BGC BGC XYS BGC 0.61194 0.942857
86 MAL EDO 0.607143 0.942857
87 U63 0.6 0.891892
88 BGC BGC BGC XYS GAL 0.6 0.942857
89 NGA GLA GAL BGC 0.591549 0.733333
90 GLA GAL GLC NBU 0.590164 0.846154
91 M3M 0.584906 1
92 MAN GLC 0.584906 1
93 LB2 0.584906 1
94 GLC GAL NAG GAL 0.577465 0.733333
95 BGC GLA GAL FUC 0.573529 0.970588
96 OXZ BGC BGC 0.571429 0.6875
97 GAL FUC 0.571429 0.941176
98 GAL NAG GAL BGC 0.571429 0.733333
99 G2I 0.571429 0.767442
100 BGC GAL FUC 0.571429 0.970588
101 BMA BMA MAN 0.571429 0.970588
102 GLC GLC G6D ACI GLC GLC GLC 0.571429 0.785714
103 GLC GAL FUC 0.571429 0.970588
104 G3I 0.571429 0.767442
105 FUC LAT 0.571429 0.970588
106 BGC GAL NAG GAL 0.571429 0.733333
107 LAT FUC 0.571429 0.970588
108 FUC GAL GLC 0.571429 0.970588
109 LAT NAG GAL 0.571429 0.733333
110 2M4 0.566038 1
111 MAN MAN 0.566038 1
112 BGC BGC 0.566038 1
113 SGA BGC 0.559322 0.702128
114 GLC GLC XYS 0.553846 0.970588
115 BGC BGC BGC XYS BGC XYS GAL 0.545455 0.942857
116 GAL BGC BGC BGC XYS BGC XYS 0.545455 0.942857
117 SOR GLC GLC GLC 0.545455 0.970588
118 LAG 0.545455 0.6
119 ACR GLC GLC GLC 0.54321 0.733333
120 ARE 0.54321 0.733333
121 GLC GLC DAF BGC 0.54321 0.733333
122 GLC GLC ACI G6D GLC GLC 0.54321 0.733333
123 GLC GLC AGL HMC GLC 0.54321 0.733333
124 AAO 0.54321 0.733333
125 BGC BGC G2F SHG 0.542857 0.846154
126 BGC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
127 GLC BGC BGC XYS BGC XYS XYS 0.541667 0.942857
128 BGC BGC XYS BGC XYS BGC XYS 0.541667 0.942857
129 NLC 0.540984 0.733333
130 5GO 0.540984 0.66
131 GAL NDG 0.540984 0.733333
132 NDG GAL 0.540984 0.733333
133 GLC GLC GLC G6D ADH GLC 0.536585 0.6875
134 GLC GLC FRU 0.536232 0.868421
135 GAL BGC BGC XYS 0.536232 0.942857
136 GLC BGC BGC BGC BGC BGC BGC 0.534483 1
137 GLC BGC BGC BGC 0.534483 1
138 DEL 0.534483 0.970588
139 BGC BGC BGC 0.534483 1
140 BGC BGC BGC BGC BGC 0.534483 1
141 BGC BGC BGC GLC BGC BGC 0.534483 1
142 BGC BGC BGC ASO BGC BGC ASO 0.534483 1
143 MVP 0.533333 0.733333
144 TRE 0.531915 1
145 GLC BGC BGC BGC XYS BGC XYS XYS 0.526316 0.916667
146 BMA MAN 0.526316 0.914286
147 BMA MAN MAN 0.52459 1
148 DMU 0.523077 0.785714
149 LMT 0.523077 0.785714
150 LMU 0.523077 0.785714
151 UMQ 0.523077 0.785714
152 NAG GAL BGC 0.521127 0.733333
153 GLC ACI GLD GLC 0.519481 0.785714
154 GLC G6D ACI GLC 0.519481 0.785714
155 GLC G6D ADH GLC 0.519481 0.785714
156 GLC ACI G6D BGC 0.519481 0.785714
157 GLC BGC BGC XYS BGC XYS XYS GAL 0.518519 0.942857
158 GAL BGC BGC BGC XYS XYS 0.518519 0.942857
159 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.518519 0.942857
160 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.518519 0.942857
161 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.518519 0.942857
162 FUC BGC GAL 0.515625 0.970588
163 SOR GLC GLC 0.515152 0.970588
164 RCB 0.514286 0.622642
165 GAL BGC NAG GAL 0.513889 0.733333
166 GAL GAL GLC EMB MEC 0.512195 0.622642
167 GLA MBG 0.509091 0.942857
168 6UZ 0.5 0.846154
169 GAC 0.5 0.767442
170 ACI GLD GLC GAL 0.5 0.785714
171 GLC AGL GLC HMC 0.5 0.717391
172 GAL GAL SO4 0.5 0.702128
173 GLO GLC GLC GLC 0.5 0.942857
174 DAF GLC GLC 0.5 0.785714
175 TXT 0.5 0.767442
176 MAN MAN BMA 0.5 1
177 DAF BGC GLC 0.5 0.785714
178 GLC GLC GLC PO4 SGC GLC 0.5 0.673469
179 GLC ACI GLD GAL 0.493827 0.733333
180 QV4 0.493827 0.733333
181 GLC ACI G6D GLC 0.493827 0.733333
182 NPJ 0.485714 0.622642
183 ACR 0.481013 0.733333
184 QPS 0.481013 0.733333
185 4MU BGC BGC BGC BGC 0.480519 0.767442
186 GAL NAG MAN 0.478873 0.733333
187 MAN NAG GAL 0.478873 0.733333
188 DOM 0.474576 0.942857
189 GLO GLC GLC 0.472222 0.942857
190 MAN BMA NAG 0.471429 0.733333
191 10M 0.471429 0.733333
192 GLA GAL NAG 0.471429 0.733333
193 NAG GAL GAL 0.471429 0.733333
194 8VZ 0.46875 0.673469
195 ACR GLC 0.468354 0.733333
196 ACR GLC GLC GLC GLC 0.468354 0.733333
197 FMO 0.467742 0.868421
198 4MU BGC BGC 0.467532 0.767442
199 MGL SGC GLC GLC 0.465753 0.868421
200 CM5 0.465753 0.891892
201 BGC BGC SGC MGL 0.465753 0.868421
202 NAG GAL GAL NAG GAL 0.460526 0.6875
203 CGC 0.460317 0.941176
204 MA4 0.459459 0.891892
205 5QP 0.459016 0.885714
206 BGC GLC AC1 GLC GLC GLC AC1 0.457831 0.75
207 ACI G6D GLC ACI G6D BGC 0.457831 0.75
208 ACI GLD GLC ACI G6D BGC 0.457831 0.75
209 AC1 GLC AC1 BGC 0.457831 0.75
210 DAF GLC DAF GLC GLC 0.457831 0.75
211 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.457831 0.75
212 GAL MBG 0.457627 0.942857
213 RZM 0.457627 0.688889
214 M13 0.457627 0.942857
215 MDM 0.457627 0.942857
216 LSE 0.457143 0.6875
217 GLA GAL NAG FUC GAL GLC 0.454545 0.717391
218 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.453488 0.680851
219 MAN MNM 0.451613 0.75
220 GTM BGC BGC 0.450704 0.868421
221 MAN MAN MAN MAN 0.449275 1
222 MAN MAN BMA MAN 0.449275 1
223 ACG 0.448276 0.695652
224 GLC GLC GLC GLC 0.447761 1
225 NAG BMA 0.447761 0.653061
226 FUC GAL NAG GAL BGC 0.447059 0.717391
227 GAL A2G 0.446154 0.733333
228 GAL NGA 0.446154 0.733333
229 A2G GAL 0.446154 0.733333
230 NOJ GLC 0.444444 0.727273
231 MAN BMA MAN MAN MAN 0.442857 1
232 M5S 0.442857 1
233 GAL NAG GAL NAG GAL NAG 0.441558 0.673469
234 NAG GAL GAL NAG 0.441558 0.6875
235 MAN MAN MAN GLC 0.441176 1
236 GLA GLC 0.440678 1
237 LAK 0.440678 1
238 MLB 0.440678 1
239 BMA GLA 0.440678 1
240 GLA BMA 0.440678 1
241 BGC GLA 0.440678 1
242 MAN BMA 0.440678 1
243 GLA BGC 0.440678 1
244 GAL GAL 0.440678 1
245 BGC SGC BGC SGC BGC SGC BGC SGC 0.438356 0.916667
246 TM6 0.438356 0.916667
247 ABL 0.4375 0.702128
248 BMA FRU 0.435484 0.842105
249 FRU GAL 0.435484 0.842105
250 NOY BGC 0.435484 0.75
251 DAF GLC 0.434211 0.785714
252 DAF BGC 0.434211 0.785714
253 FUC GAL GLA 0.432836 0.970588
254 FUC GLA GLA 0.432836 0.970588
255 GAL GAL FUC 0.432836 0.970588
256 GLA GLA FUC 0.432836 0.970588
257 GLA GAL FUC 0.432836 0.970588
258 A2G GAL BGC FUC 0.428571 0.717391
259 BGC OXZ 0.428571 0.666667
260 ISX 0.428571 0.761905
261 BMA IFM 0.428571 0.744186
262 IFM BGC 0.428571 0.744186
263 VAM 0.428571 0.868421
264 9MR 0.428571 0.744186
265 IFM BMA 0.428571 0.744186
266 GLF B8D 0.428571 0.775
267 GLC GAL NAG GAL FUC FUC 0.426966 0.702128
268 7SA 0.426966 0.702128
269 BGC GAL NAG GAL FUC FUC 0.426966 0.702128
270 MAN MAN MAN BMA MAN 0.426667 1
271 GLC GLC GLC 0.42623 1
272 GLC GLC GLC GLC BGC 0.42623 1
273 GLC GLC GLC GLC GLC BGC 0.42623 1
274 MAN MAN MAN 0.42623 1
275 GLC GLC XYS XYS 0.422535 0.914286
276 GLC DMJ 0.421875 0.727273
277 BMA BMA BMA BMA GLA BMA GLA 0.420455 0.846154
278 GCS GCS 0.419355 0.804878
279 PA1 GCS 0.419355 0.804878
280 3SA 0.417722 0.733333
281 HMC AGL GLC 0.417722 0.717391
282 BGC 0.416667 0.848485
283 GLC 0.416667 0.848485
284 GLA 0.416667 0.848485
285 XZZ BGC BGC 0.416667 0.702128
286 6SA 0.416667 0.733333
287 GIV 0.416667 0.848485
288 GXL 0.416667 0.848485
289 BMA 0.416667 0.848485
290 ALL 0.416667 0.848485
291 WOO 0.416667 0.848485
292 MAN 0.416667 0.848485
293 GAL 0.416667 0.848485
294 HSD G6D GLC HSD G6D GLC BGC 0.41573 0.702128
295 ACI G6D GLC ACI G6D GLC GLC 0.41573 0.702128
296 HSD G6D GLC HSD G6D GLC GLC 0.41573 0.702128
297 ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.41573 0.702128
298 GAL NAG GAL 0.415584 0.702128
299 GCS GCS GCS GCS GCS GCS 0.415385 0.804878
300 GCS GCS GCS 0.415385 0.804878
301 GCS GCS GCS GCS GCS 0.415385 0.804878
302 P3M 0.414286 0.767442
303 MAN DGO 0.412698 0.914286
304 NAG NDG BMA 0.410256 0.634615
305 NAG NAG BMA 0.410256 0.634615
306 T6P 0.409836 0.767442
307 NAG MAN GAL MAN MAN NAG GAL 0.409091 0.6875
308 FUC BGC GAL NAG GAL 0.409091 0.717391
309 AMG 0.403846 0.857143
310 MBG 0.403846 0.857143
311 GYP 0.403846 0.857143
312 MMA 0.403846 0.857143
313 MAN 7D1 0.403226 0.888889
314 GAL MGC 0.402985 0.702128
315 GAL NGA A2G 0.402778 0.673469
316 MGL SGC BGC BGC 0.402299 0.622642
317 AGL GLC HMC AGL GLC BGC 0.402174 0.680851
318 FUC NDG GAL 0.4 0.717391
319 BGC BGC XYS BGC XYS GAL 0.4 0.916667
320 A2G GAL NAG FUC GAL GLC 0.4 0.673469
321 MBG A2G 0.4 0.702128
322 BGC BGC BGC XYS BGC XYS XYS GAL GAL 0.4 0.916667
323 GLC GAL NAG GAL FUC A2G 0.4 0.673469
324 AHR 0.4 0.742857
325 FUB 0.4 0.742857
326 A2G MBG 0.4 0.702128
327 RIB 0.4 0.742857
328 GAL NAG FUC 0.4 0.717391
329 BGC BGC XYS BGC BGC XYS XYS GAL GAL 0.4 0.916667
330 GAL NDG FUC 0.4 0.717391
331 32O 0.4 0.742857
332 FUC NAG GAL 0.4 0.717391
333 Z6J 0.4 0.742857
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5JBE; Ligand: BGC; 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: 5jbe.bio1) has 5 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5JBE; Ligand: MAL; Similar sites found: 102
This union binding pocket(no: 2) in the query (biounit: 5jbe.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5E9X 5LA 0.01011 0.46054 1.48448
2 3I73 ADP 0.007257 0.42785 1.53061
3 1ZGD NAP 0.01235 0.41277 1.60256
4 3D3W NAP 0.02758 0.40396 1.63934
5 3JZ4 NAP 0.01912 0.42231 1.8711
6 1BH2 GSP 0.01423 0.42808 1.90476
7 4AUA 4AU 0.02529 0.40012 1.9544
8 4WHZ 3NL 0.04551 0.40721 2.07792
9 1QPG MAP 0.02483 0.4235 2.16867
10 3NYQ AMP 0.04142 0.40725 2.17822
11 3NYQ MCA 0.03984 0.40725 2.17822
12 2HK9 NAP 0.02855 0.40935 2.18182
13 1Q6D GLC GLC 0.01198 0.45193 2.22222
14 1PHP ADP 0.01467 0.42835 2.28426
15 2C04 GCP 0.002291 0.4707 2.3569
16 1TAD ALF 0.02353 0.41706 2.46914
17 1TAD GDP 0.02353 0.41706 2.46914
18 3TKI S25 0.02134 0.44906 2.47678
19 4U0S ADP 0.01205 0.41561 2.61628
20 2V1O COA 0.007367 0.43661 2.64901
21 4AGQ P96 0.003942 0.45514 2.73973
22 3MF2 AMP 0.01484 0.4084 2.89017
23 3K8D CTP 0.007632 0.44146 3.0303
24 2XTZ GSP 0.01753 0.41449 3.10734
25 2VVM FAD 0.03276 0.41501 3.23232
26 1H7F C5P 0.01041 0.43216 3.26531
27 2JLD AG1 0.03779 0.41218 3.33333
28 4MZQ 1VU 0.01898 0.41028 3.47222
29 2AKO ADP 0.01534 0.40638 3.58566
30 1RSG FAD 0.02749 0.41307 3.87597
31 4L3L 5FI 0.01287 0.41826 3.94737
32 5NJI 8Z2 0.009741 0.42954 4.03727
33 5LMK 6ZK 0.01041 0.42411 4.0404
34 3ZLB ANP 0.01934 0.4205 4.27136
35 2XG9 NOJ GLC 0.01216 0.44958 4.29907
36 1XTQ GDP 0.02436 0.41035 4.51977
37 4CKU P2F 0.02933 0.41377 4.55927
38 3LXD FAD 0.02265 0.41653 4.57831
39 2VNI FAD 0.01648 0.4356 4.77941
40 2VNI A2P 0.01648 0.4356 4.77941
41 4ANP 3QI 0.01757 0.41892 4.93827
42 1IF7 SBR 0.04547 0.40573 5.01931
43 4UCI ADN 0.0004692 0.4378 5.06024
44 1YY5 FAD 0.03888 0.40636 5.06823
45 5DTF 5CT 0.006235 0.44892 5.14019
46 2E5A LAQ 0.01591 0.42608 5.18732
47 4PI8 NAG AMU 0.01151 0.42151 5.26316
48 4DSU GDP 0.03551 0.40287 5.29101
49 1ZHS NAG NAG BMA MAN MAN 0.005484 0.42687 5.30973
50 1M5B BN1 0.01729 0.45816 5.32319
51 4P25 FUC GAL NAG FUC 0.00108 0.46415 5.62914
52 2DRC MTX 0.04113 0.45056 5.66038
53 3Q2H QHF 0.01904 0.41158 6.06061
54 1A8P FAD 0.005552 0.44758 6.20155
55 5E50 ALA TYR ASP GLU SEP TPO ASP GLU GLU 0.005153 0.43277 6.30631
56 2Y6P CTP 0.008803 0.42979 6.41026
57 2OOR TXP 0.02631 0.41682 6.51042
58 5IBE 69M 0.03465 0.41498 6.56566
59 3N0S ACO 0.04909 0.41045 6.71642
60 1VG0 GER 0.001682 0.43963 6.76329
61 5FII PHE 0.007086 0.41665 6.86275
62 4AU8 Z3R 0.01046 0.41399 7.09459
63 5ENQ 5QE 0.03617 0.40575 7.10059
64 3R5J ACE ALA ASP VAL ALA ASA 0.01014 0.43455 7.14286
65 1UNH IXM 0.0161 0.40225 7.19178
66 3CRZ NAP 0.03824 0.40734 7.393
67 3CRZ FAD 0.02516 0.40351 7.393
68 5MVR ADP 0.009959 0.42035 7.40741
69 3D91 REM 0.02416 0.48131 7.62463
70 16PK BIS 0.04923 0.41357 8.19277
71 3WYG GTP 0.02638 0.4122 8.24176
72 5J6H NCA 0.0001188 0.4148 8.27815
73 4UIN QI9 0.003606 0.43683 8.44444
74 1ZD9 GDP 0.008044 0.43163 8.51064
75 1OSS BEN 0.01929 0.40342 8.52018
76 4YRY FAD 0.04959 0.41173 8.69565
77 3F5O UOC COA 0.03823 0.40602 8.78378
78 1HTW ADP 0.004449 0.44855 8.86076
79 1IDA 0PO 0.03612 0.41577 9.09091
80 2JB2 FAD 0.004147 0.47205 9.61145
81 2JB2 PHE 0.004304 0.47205 9.61145
82 2W3O TYR ALA GLY SEP TPO ASP GLU ASN 0.002821 0.44909 9.73451
83 4O33 3PG 0.04489 0.42503 9.83213
84 4O33 TZN 0.04489 0.42503 9.83213
85 4YEE 4CQ 0.01413 0.41502 10
86 5DQY BEZ 0.0074 0.40956 10.4762
87 4K81 GTP 0.0323 0.40109 11.1111
88 1ZX5 LFR 0.003634 0.42196 11.3333
89 5APG EEM 0.01595 0.40683 11.3514
90 4H2W 5GP 0.006058 0.43047 11.6505
91 3BC1 GNP 0.03557 0.40189 11.8644
92 5HQ0 LZ9 0.008433 0.43056 11.9048
93 1VPE ANP 0.02233 0.41065 12.3116
94 1Y63 ADP 0.0002724 0.49929 13.0435
95 3F7Z 34O 0.02378 0.40121 13.7143
96 3G5D 1N1 0.03179 0.42236 14.3357
97 4XJC TTP 0.01466 0.4142 16.9492
98 1UZ8 MAG FUC GAL 0.03356 0.40769 18.8073
99 3ZLQ 6T9 0.01608 0.40441 18.8525
100 5XLY C2E 0.008009 0.41524 20.3008
101 3TDH AMP 0.01571 0.43517 23.8938
102 2QRD ATP 0.02601 0.41797 25.7732
Pocket No.: 3; Query (leader) PDB : 5JBE; Ligand: GLC GLC GLC GLC GLC; Similar sites found: 23
This union binding pocket(no: 3) in the query (biounit: 5jbe.bio2) has 36 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4I9B 1KA 0.01234 0.41051 1.16054
2 5CGM MAL 0.009633 0.42972 1.7192
3 1UKQ GLC ACI G6D GLC 0.0001965 0.40441 2.18659
4 2CXG GLC G6D ACI GLC 0.0006181 0.41831 2.33236
5 1UH4 GLC GLC GLC 0.0001659 0.41115 2.35479
6 1G94 DAF GLC DAF GLC GLC 0.0001524 0.40387 4.01786
7 1W2D ADP 0.03949 0.40208 4.15094
8 8CGT TM6 0.0001139 0.40226 4.97076
9 1PIG AGL GLC HMC AGL GLC BGC 0.001477 0.40778 5.44355
10 2YLN CYS 0.035 0.41422 5.65371
11 3WY2 BGC 0.0000726 0.51314 6.50558
12 3P7G MAN 0.04955 0.40477 6.84932
13 3BC9 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.000000696 0.51801 8.34725
14 1UA7 ACI GLD GLC ACI G6D BGC 0.0002337 0.46858 9.24171
15 1JDC GLC GLC GLC GLC 0.000007847 0.43394 9.55711
16 1E3Z ACI GLD GLC ACI GLD GLC ACI GLD GLC GLC 0.00000264 0.49789 10.559
17 2GJP BGC GLC DAF GLC GLC GLC DAF 0.000001151 0.54686 11.134
18 2D3N GLC GLC GLC GLC GLC GLC 0.000001137 0.5203 11.134
19 2D3N GLC GLC GLC GLC 0.000003382 0.5065 11.134
20 2D3N GLC 0.000002023 0.50558 11.134
21 5LKC FUC GLA A2G 0.02426 0.43136 12.013
22 3P48 DUP 0.03336 0.40243 16.3265
23 4P6G 2FZ 0.03625 0.40402 18.5841
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