Receptor
PDB id Resolution Class Description Source Keywords
4OUJ 1.46 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HA33B-LAC CLOSTRIDIUM BOTULINUM B1 RICIN-TYPE BETA-TREFOIL HA17 TOXIN
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURE OF HA33 OF BOTULI NEUROTOXIN TYPE B PROGENITOR TOXIN COMPLEX. BIOCHEM.BIOPHYS.RES.COMMUN. V. 446 568 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
LBT B:401;
A:401;
Valid;
Valid;
none;
none;
Kd = 1.4 mM
342.296 C12 H22 O11 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4OUJ 1.46 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF HA33B-LAC CLOSTRIDIUM BOTULINUM B1 RICIN-TYPE BETA-TREFOIL HA17 TOXIN
Ref.: HIGH-RESOLUTION CRYSTAL STRUCTURE OF HA33 OF BOTULI NEUROTOXIN TYPE B PROGENITOR TOXIN COMPLEX. BIOCHEM.BIOPHYS.RES.COMMUN. V. 446 568 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4OUJ Kd = 1.4 mM LBT C12 H22 O11 C([C@@H]1[....
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 4OUJ Kd = 1.4 mM LBT C12 H22 O11 C([C@@H]1[....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 3AJ6 Kd = 51.5 nM NGA C8 H15 N O6 CC(=O)N[C@....
2 3AH2 - NGA C8 H15 N O6 CC(=O)N[C@....
3 3AJ5 Kd = 29.9 mM NGA C8 H15 N O6 CC(=O)N[C@....
4 3AH1 - SLB C11 H19 N O9 CC(=O)N[C@....
5 3AH4 - GAL C6 H12 O6 C([C@@H]1[....
6 4OUJ Kd = 1.4 mM LBT C12 H22 O11 C([C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LBT; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4OUJ; Ligand: LBT; Similar sites found: 84
This union binding pocket(no: 1) in the query (biounit: 4ouj.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3F7Z 34O 0.001723 0.45082 1.30293
2 2PTZ PAH 0.004999 0.42748 1.62866
3 3OFM 4B0 0.007345 0.41319 1.62866
4 5LVP ATP 0.001369 0.4462 1.9544
5 5LI1 ANP 0.005518 0.4321 1.9544
6 4Y0X ADP 0.005074 0.42347 1.9544
7 5GXU FMN 0.02289 0.4 1.9544
8 1NB9 RBF 0.01781 0.43679 2.04082
9 3MVH WFE 0.002254 0.46815 2.28013
10 5HES 032 0.006044 0.42528 2.28013
11 1PDZ PGA 0.003867 0.41091 2.28013
12 5VC5 96M 0.002804 0.45901 2.42215
13 2BJK NAD 0.02859 0.41013 2.51938
14 1JG3 VAL TYR PRO IAS HIS ALA 0.009902 0.41604 2.55319
15 4CRL C1I 0.04923 0.4045 2.60586
16 3DOO SKM 0.001829 0.40573 2.88809
17 2YIP YIO 0.003053 0.4061 2.89855
18 4OUC 5ID 0.00945 0.42826 2.9316
19 2JEN GLC GLC BGC XYS BGC XYS 0.02426 0.40478 3.06513
20 4NM5 ADP 0.00256 0.45097 3.18302
21 5UIU 8CG 0.0177 0.43096 3.25733
22 4FHD EEM 0.0221 0.41661 3.58306
23 3B8Y ADA ADA ADA ADA 0.01933 0.40423 3.58306
24 1RE0 AFB 0.009982 0.42267 3.61991
25 1JZN BGC GAL 0.002196 0.44062 3.7037
26 4WB6 ATP 0.001641 0.47898 3.90879
27 3VOT ADP 0.004939 0.42893 3.90879
28 4CLI 5P8 0.01975 0.42377 3.90879
29 2GU8 796 0.02663 0.42113 3.90879
30 3AKK ADP 0.007898 0.41468 3.90879
31 3KJI ADP 0.01062 0.41129 3.93701
32 2ZFU SAH 0.02414 0.40187 4.18605
33 1TIW TFB 0.03868 0.40796 4.23453
34 4O8A FAD 0.0314 0.40613 4.23453
35 2GJP BGC GLC DAF GLC GLC GLC DAF 0.01664 0.44581 4.88599
36 4RYD 2UE ARG TBG ARG 00S 0.0386 0.40106 4.88599
37 1YBU APC 0.005891 0.41592 4.8913
38 5MJA 7O3 0.02194 0.40164 4.91803
39 5C1P DAL DAL 0.014 0.42136 5.55556
40 5C1P ADP 0.007253 0.42103 5.55556
41 4YZN 4K5 0.01269 0.41337 5.57491
42 5UKL SIX 0.02797 0.41145 5.86319
43 2JDR L20 0.008978 0.45008 6.18893
44 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.008978 0.45008 6.18893
45 5A6N U7E 0.007104 0.42033 6.36042
46 3PJU C2E 0.0161 0.40654 6.4257
47 2Z48 NGA 0.00000009545 0.65302 6.51466
48 2Z48 A2G 0.00000007861 0.61565 6.51466
49 2Z49 AMG 0.0000005948 0.60428 6.51466
50 5BO9 SIA GAL NGS 0.04551 0.40784 6.84039
51 1TLG GAL 0.000521 0.42928 7.2
52 4TWP AXI 0.01629 0.42914 7.38007
53 4HEE 14R 0.006491 0.44158 7.44681
54 3FUR Z12 0.001976 0.49542 7.72059
55 1SL4 MAN MAN MAN MAN 0.01017 0.41553 7.74194
56 3QF7 ANP 0.009831 0.41328 7.81759
57 4X7Y SAH 0.022 0.44137 8.0292
58 1RYA GDP 0.01106 0.44267 8.125
59 4ZGR NGA GAL 0.000000007044 0.72839 8.42912
60 5U6C 7YS 0.005363 0.44631 8.46906
61 3RI1 3RH 0.0126 0.41445 8.79479
62 2HK9 SKM 0.001031 0.40706 9.09091
63 1SL6 GAL NDG FUC 0.003698 0.42323 9.23913
64 2WZ5 MET 0.001949 0.4352 9.80392
65 1MEX RAC 0.01595 0.40655 9.85915
66 2YAB AMP 0.001507 0.46305 10.0977
67 4R74 F6P 0.02536 0.40922 10.0977
68 5D63 FUC GAL GLA 0.0000137 0.62021 10.2389
69 5D63 FUC GLA GLA 0.00001301 0.59258 10.2389
70 4ARF IP8 GLY PRO ALA 0.04034 0.40265 11.4007
71 5MUA GAL 0.0000000006758 0.57617 12.2378
72 4WQQ MAN 0.01021 0.40096 12.766
73 3KN5 ANP 0.003388 0.45436 14.0065
74 5LXM ADP 0.003803 0.42494 15.7895
75 3NBC LAT 0.000000004963 0.73621 16.2162
76 4IPH 1FJ 0.0123 0.40958 16.2602
77 1KNM LAT 0.0000000009901 0.71509 16.9231
78 2D24 XYS XYS 0.00000000185 0.70067 16.9381
79 5F90 GLA GAL BGC 5VQ 0.0001524 0.4911 18.5897
80 5F90 GLA GAL 0.0001565 0.48728 18.5897
81 5F90 LMR 0.000706 0.4507 18.5897
82 2ZQO NGA 0.000000001871 0.60756 22.3077
83 5FUI APY 0.00234 0.4063 25
84 1CLU DBG 0.03446 0.407 25.9036
Pocket No.: 2; Query (leader) PDB : 4OUJ; Ligand: LBT; Similar sites found: 69
This union binding pocket(no: 2) in the query (biounit: 4ouj.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3ZRM ZRM 0.002082 0.45432 1.30293
2 2JLD AG1 0.009062 0.42847 1.30293
3 3LXK MI1 0.0145 0.42431 1.30293
4 3BXD INS 0.01527 0.40695 1.38408
5 4BI7 PGA 0.02958 0.40127 1.55642
6 2AAZ UMP 0.006766 0.432 1.9544
7 5BVE 4VG 0.03292 0.41683 1.9544
8 1NB9 ADP 0.01685 0.43862 2.04082
9 2X06 NAD 0.007833 0.43586 2.28013
10 3ALN ANP 0.0166 0.40863 2.28013
11 4I94 ANP 0.008216 0.42522 2.33333
12 1F28 UMP 0.004988 0.4344 2.3569
13 4DYG NAG NAG NAG NAG 0.009201 0.41252 2.45902
14 4DYG MES 0.04219 0.40768 2.45902
15 4OH4 ANP 0.002541 0.4573 2.60586
16 3K5I ADP 0.006154 0.4336 2.60586
17 3K5I AIR 0.04653 0.40945 2.60586
18 3RHJ NAP 0.04202 0.40423 2.60586
19 2GK6 ADP 0.01777 0.40421 2.60586
20 2VG1 FPP 0.005542 0.45685 2.63158
21 2IBN I1N 0.008224 0.41249 3.2
22 3KDU NKS 0.03274 0.41744 3.2491
23 4U44 3D9 0.002192 0.45688 3.25733
24 1OLT SAM 0.01635 0.42572 3.25733
25 4GAH 0ET 0.007068 0.45364 3.34928
26 4LCN GNG 0.01086 0.40368 3.5533
27 4C2C ALA VAL PRO ALA 0.002254 0.45221 3.58306
28 4JR7 GNP 0.004637 0.43546 3.58306
29 3V4S ADP 0.0192 0.42691 3.58306
30 4FHD 0TT 0.02414 0.4134 3.58306
31 2Z23 LYS LYS LYS 0.03224 0.40745 3.58306
32 4EJN 0R4 0.0231 0.40208 3.58306
33 2QCS ANP 0.003272 0.44531 3.90879
34 3TXO 07U 0.008218 0.41559 3.90879
35 2IF8 ADP 0.004814 0.40327 3.90879
36 2QV6 GTP 0.001138 0.4598 4.10448
37 3BXF FBP 0.01461 0.40569 4.31373
38 3FHI ANP 0.003409 0.45585 4.54545
39 2V7O DRN 0.00156 0.45844 4.56026
40 4O1P ANP 0.005183 0.42826 4.56026
41 4B1W ATP 0.0264 0.402 4.56026
42 3KTA AP5 0.04113 0.40031 4.62428
43 2GQR ADP 0.003944 0.4279 4.64135
44 2VN9 GVD 0.002877 0.43285 4.65116
45 2PYW ADP 0.001761 0.46323 4.88599
46 2DW7 SRT 0.01381 0.40444 5.21173
47 1SYN UMP 0.00293 0.44962 5.28302
48 2A9W UMP 0.003958 0.42341 5.30303
49 1GAD NAD 0.04851 0.42121 5.53746
50 3SLS ANP 0.01445 0.40582 5.59211
51 2RKV ZBA 0.03863 0.40579 5.86319
52 2RKV COA 0.0346 0.40579 5.86319
53 3RZ3 U94 0.005796 0.43648 7.10383
54 1Q8Y ADE 0.007406 0.42083 7.16612
55 4K33 ACP 0.002935 0.43733 8.14332
56 3DAK ANP 0.009808 0.41137 8.62069
57 3T58 FAD 0.04182 0.40091 9.12052
58 1GAR U89 0.01509 0.42819 9.43396
59 5AX9 4KT 0.01375 0.41637 9.44625
60 2R40 20E 0.03366 0.41527 9.5057
61 3O0G 3O0 0.002037 0.45972 11.4094
62 3RE4 TO1 0.002714 0.44082 11.6279
63 1XVB 3BR 0.01511 0.40018 12.9412
64 5HQ0 LZ9 0.01085 0.41283 13.245
65 4MZQ 1VU 0.001182 0.47708 13.8889
66 3MEH THP 0.001144 0.46625 17.4825
67 1G1T SIA GAL MAG FUC 0.007814 0.41524 21.0191
68 3DDC GNP 0.01688 0.42717 25.9036
69 3BU5 ATP 0.01334 0.41329 26.6667
Pocket No.: 3; Query (leader) PDB : 4OUJ; Ligand: LBT; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4ouj.bio3) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4OUJ; Ligand: LBT; Similar sites found: 2
This union binding pocket(no: 4) in the query (biounit: 4ouj.bio2) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1LYX PGA 0.01227 0.40511 3.22581
2 4ISK UMP 0.007708 0.41299 5.30303
Feedback