-->
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 1443 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 1205 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 1039 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: 333
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA GLA 1 1
2 GAL BGC 1 1
3 GLC GAL 1 1
4 BMA GAL 1 1
5 LBT 1 1
6 BGC GAL 1 1
7 CBI 1 1
8 MAL 1 1
9 CBK 1 1
10 BGC BMA 1 1
11 N9S 1 1
12 MAB 1 1
13 LAT 1 1
14 GLA GAL 1 1
15 B2G 1 1
16 BMA BMA BMA 0.909091 1
17 GLA GAL GLC 0.909091 1
18 GLC BGC BGC 0.909091 1
19 GLC BGC BGC BGC 0.909091 1
20 GLC GLC GLC GLC GLC 0.909091 1
21 CT3 0.909091 1
22 BGC GLC GLC GLC 0.909091 1
23 BGC BGC BGC BGC 0.909091 1
24 CTT 0.909091 1
25 CTR 0.909091 1
26 GLC GAL GAL 0.909091 1
27 MAN BMA BMA BMA BMA BMA 0.909091 1
28 BGC BGC BGC GLC 0.909091 1
29 CEY 0.909091 1
30 B4G 0.909091 1
31 BGC BGC BGC 0.909091 1
32 GLC GLC BGC 0.909091 1
33 CE5 0.909091 1
34 BGC BGC BGC BGC BGC BGC 0.909091 1
35 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.909091 1
36 BMA BMA BMA BMA BMA BMA 0.909091 1
37 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.909091 1
38 GLA GAL BGC 0.909091 1
39 MLR 0.909091 1
40 MAN BMA BMA 0.909091 1
41 BGC GLC GLC GLC GLC GLC GLC 0.909091 1
42 BMA BMA BMA BMA BMA 0.909091 1
43 BGC BGC GLC 0.909091 1
44 MAN MAN BMA BMA BMA BMA 0.909091 1
45 BGC GLC GLC 0.909091 1
46 BGC BGC BGC BGC BGC 0.909091 1
47 MT7 0.909091 1
48 GLC BGC BGC BGC BGC 0.909091 1
49 CE6 0.909091 1
50 MTT 0.909091 1
51 CE8 0.909091 1
52 MAN BMA BMA BMA BMA 0.909091 1
53 GLC BGC GLC 0.909091 1
54 DXI 0.909091 1
55 GLC BGC BGC BGC BGC BGC 0.909091 1
56 CEX 0.909091 1
57 GAL GAL GAL 0.909091 1
58 BMA MAN BMA 0.909091 1
59 BGC GLC GLC GLC GLC 0.909091 1
60 GLA GAL GAL 0.816327 1
61 BGC BGC BGC BGC BGC BGC BGC BGC 0.754717 1
62 BMA BMA GLA BMA BMA 0.689655 1
63 XYT 0.685185 0.767442
64 LAT GLA 0.680851 1
65 GLC GLC GLC BGC 0.672414 1
66 U63 0.647059 0.891892
67 MMA MAN 0.64 0.942857
68 DR5 0.64 0.942857
69 GLA EGA 0.634615 0.942857
70 GAL FUC 0.615385 0.941176
71 2M4 0.612245 1
72 BGC GAL FUC 0.610169 0.970588
73 FUC GAL GLC 0.610169 0.970588
74 8B7 0.610169 0.970588
75 GLC GAL FUC 0.610169 0.970588
76 LAT FUC 0.610169 0.970588
77 BGC GLA GAL FUC 0.609375 0.970588
78 BQZ 0.608696 0.909091
79 BGC GAL NAG GAL 0.606061 0.733333
80 GAL NAG GAL GLC 0.606061 0.733333
81 BMA BMA BMA BMA 0.603448 0.941176
82 M3M 0.6 1
83 LB2 0.6 1
84 NGR 0.6 1
85 MAN GLC 0.6 1
86 MAL EDO 0.592593 0.942857
87 BGC BGC BGC XYS GAL 0.588235 0.942857
88 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.588235 0.942857
89 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.588235 0.942857
90 BGC BGC BGC XYS BGC BGC 0.588235 0.942857
91 LAT NAG GAL 0.588235 0.733333
92 GLC GAL NAG GAL 0.588235 0.733333
93 NGA GAL BGC 0.587302 0.733333
94 TRE 0.581395 1
95 ABD 0.57971 0.75
96 NLC 0.578947 0.733333
97 NDG GAL 0.578947 0.733333
98 GAL NDG 0.578947 0.733333
99 5GO 0.578947 0.66
100 DEL 0.574074 0.970588
101 MVP 0.571429 0.733333
102 GAL NGA GLA BGC GAL 0.571429 0.733333
103 GAL BGC BGC XYS 0.569231 0.942857
104 SGA BGC 0.568965 0.66
105 BGC BGC 0.566038 0.914286
106 BMA BMA 0.566038 0.914286
107 GLC GLC XYP 0.557377 1
108 BGC BGC XYS BGC 0.552239 0.942857
109 NAG GAL BGC 0.552239 0.733333
110 GLA GAL BGC 5VQ 0.551724 0.891892
111 G2F BGC BGC BGC BGC BGC 0.55 0.868421
112 GLA MBG 0.54902 0.942857
113 GLC ACI G6D BGC 0.547945 0.733333
114 GLC G6D ACI GLC 0.547945 0.733333
115 GLC ACI GLD GLC 0.547945 0.733333
116 GLC G6D ADH GLC 0.547945 0.733333
117 GLC BGC BGC BGC BGC BGC BGC 0.545455 1
118 BGC BGC BGC GLC BGC BGC 0.545455 1
119 BMA BMA MAN 0.535714 1
120 MAN MAN BMA 0.535714 1
121 NGA GLA GAL BGC 0.535211 0.733333
122 GAL BGC BGC BGC XYS BGC XYS 0.533333 0.942857
123 BGC BGC BGC XYS BGC XYS GAL 0.533333 0.942857
124 BGC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
125 BGC BGC XYS BGC XYS BGC XYS 0.528571 0.942857
126 GLC BGC BGC XYS BGC XYS XYS 0.528571 0.942857
127 BMA MAN MAN MAN 0.525424 1
128 GLA GAL GLC NBU 0.52459 0.846154
129 FUC BGC GAL 0.52459 0.970588
130 GLC GLC G6D ACI GLC GLC GLC 0.519481 0.733333
131 GLC ACI GLD GAL 0.519481 0.702128
132 GLC ACI G6D GLC 0.519481 0.702128
133 BGC BGC BGC FRU 0.516129 0.868421
134 DOM 0.509091 0.942857
135 G3I 0.507937 0.767442
136 LMU 0.507937 0.785714
137 DMU 0.507937 0.785714
138 UMQ 0.507937 0.785714
139 OXZ BGC BGC 0.507937 0.6875
140 G2I 0.507937 0.767442
141 LMT 0.507937 0.785714
142 GAL XYS XYS BGC BGC BGC XYS GAL BGC 0.506329 0.942857
143 BGC BGC XYS BGC GAL XYS BGC XYS GAL 0.506329 0.942857
144 GAL BGC BGC BGC XYS XYS 0.506329 0.942857
145 GLC BGC BGC XYS BGC XYS XYS GAL GAL 0.506329 0.942857
146 GLC BGC BGC XYS BGC XYS XYS GAL 0.506329 0.942857
147 FMO 0.5 0.868421
148 MAN BMA NAG 0.5 0.733333
149 SOR GLC GLC 0.5 0.970588
150 GLA GAL NAG 0.5 0.733333
151 8VZ 0.5 0.673469
152 ACR GLC GLC GLC 0.493827 0.702128
153 GLC GLC DAF BGC 0.493827 0.702128
154 GLC GLC ACI G6D GLC GLC 0.493827 0.702128
155 ARE 0.493827 0.733333
156 GLC GLC AGL HMC GLC 0.493827 0.702128
157 AAO 0.493827 0.733333
158 GLC GLC XYS 0.492308 0.970588
159 MAN BMA MAN 0.491803 1
160 CGC 0.491525 0.941176
161 5QP 0.491228 0.885714
162 GAL MBG 0.490909 0.942857
163 MDM 0.490909 0.942857
164 RZM 0.490909 0.688889
165 M13 0.490909 0.942857
166 GAL NAG MAN 0.485294 0.733333
167 SOR GLC GLC GLC 0.484848 0.970588
168 GLO GLC GLC GLC 0.484848 0.970588
169 6UZ 0.484848 0.846154
170 LAG 0.484848 0.6
171 GAL BGC NAG GAL 0.478873 0.733333
172 GTM BGC BGC 0.477612 0.868421
173 10M 0.477612 0.733333
174 MAN MAN MAN MAN 0.476923 1
175 MAN MAN BMA MAN 0.476923 1
176 GLA GAL NAG FUC GAL GLC 0.47619 0.717391
177 GAL GAL SO4 0.47619 0.66
178 NAG BMA 0.47619 0.653061
179 GAL NGA 0.47541 0.733333
180 A2G GAL 0.47541 0.733333
181 GAL A2G 0.47541 0.733333
182 GLA BMA 0.472727 1
183 GLC BGC 0.472727 1
184 GAL GAL 0.472727 1
185 GLA GLC 0.472727 1
186 BGC GLA 0.472727 1
187 GAL GLC 0.472727 1
188 GLA BGC 0.472727 1
189 BMA GLA 0.472727 1
190 BMA MAN 0.472727 1
191 MAN MAN 0.472727 1
192 BGC GLC 0.472727 1
193 MLB 0.472727 1
194 GLC GLC 0.472727 1
195 MAN BMA 0.472727 1
196 LAK 0.472727 1
197 NPJ 0.470588 0.622642
198 FUC GAL NAG GAL BGC 0.469136 0.717391
199 GAL GLC NAG GAL FUC 0.469136 0.717391
200 GLC NAG GAL GAL FUC 0.469136 0.717391
201 MAN MAN MAN GLC 0.46875 1
202 ABL 0.466667 0.702128
203 FRU GAL 0.465517 0.842105
204 BMA FRU 0.465517 0.842105
205 DAF BGC 0.464789 0.733333
206 DAF GLC 0.464789 0.733333
207 TM6 0.463768 0.916667
208 BGC SGC BGC SGC BGC SGC BGC SGC 0.463768 0.916667
209 LSE 0.462687 0.6875
210 FUC GLA GLA 0.460317 0.970588
211 GAL GAL FUC 0.460317 0.970588
212 FUC GAL GLA 0.460317 0.970588
213 GLA GLA FUC 0.460317 0.970588
214 GLA GAL FUC 0.460317 0.970588
215 IFM BMA 0.457627 0.711111
216 9MR 0.457627 0.744186
217 IFM BGC 0.457627 0.711111
218 BMA IFM 0.457627 0.711111
219 BGC OXZ 0.457627 0.666667
220 RCB 0.457143 0.622642
221 GLO GLC GLC 0.457143 0.942857
222 MAN MAN MAN 0.45614 1
223 GLC GLC GLC GLC BGC 0.45614 1
224 GLC GLC GLC GLC GLC BGC 0.45614 1
225 BMA MAN MAN 0.45614 1
226 GLC GLC GLC 0.45614 1
227 WOO 0.454545 0.848485
228 GIV 0.454545 0.848485
229 BGC 0.454545 0.848485
230 ALL 0.454545 0.848485
231 GAL 0.454545 0.848485
232 GLA 0.454545 0.848485
233 GLC 0.454545 0.848485
234 GXL 0.454545 0.848485
235 BMA 0.454545 0.848485
236 MAN 0.454545 0.848485
237 ACI GLD GLC GAL 0.453333 0.733333
238 DAF BGC GLC 0.453333 0.733333
239 DAF GLC GLC 0.453333 0.733333
240 MGL SGC BGC BGC 0.450704 0.868421
241 MGL SGC GLC GLC 0.450704 0.868421
242 CM5 0.450704 0.891892
243 MAN MAN MAN BMA MAN 0.450704 1
244 BGC BGC SGC MGL 0.450704 0.868421
245 MAN MNM 0.45 0.702128
246 GLC DMJ 0.45 0.695652
247 A2G GAL BGC FUC 0.45 0.717391
248 NOJ GLC 0.45 0.695652
249 NOY BGC 0.45 0.702128
250 BMA MAN MAN MAN MAN 0.449275 1
251 GCS GCS 0.448276 0.767442
252 PA1 GCS 0.448276 0.767442
253 M5S 0.447761 1
254 MAN BMA MAN MAN MAN 0.447761 1
255 TXT 0.447368 0.767442
256 GAC 0.447368 0.767442
257 GLC GAL NAG GAL FUC FUC 0.447059 0.702128
258 BGC GAL NAG GAL FUC FUC 0.447059 0.702128
259 GAL NAG GAL NAG GAL NAG 0.445946 0.673469
260 NAG GAL GAL NAG GAL 0.445946 0.6875
261 NAG GAL GAL NAG 0.445946 0.6875
262 MA4 0.444444 0.891892
263 QV4 0.444444 0.733333
264 MAN DGO 0.440678 0.914286
265 3SA 0.44 0.733333
266 Z6J 0.439024 0.742857
267 GLC GLC GLC PO4 SGC GLC 0.439024 0.66
268 AHR 0.439024 0.742857
269 RIB 0.439024 0.742857
270 FUB 0.439024 0.742857
271 32O 0.439024 0.742857
272 T6P 0.438596 0.767442
273 MMA 0.4375 0.857143
274 MBG 0.4375 0.857143
275 GYP 0.4375 0.857143
276 AMG 0.4375 0.857143
277 MAN G63 0.435484 0.653061
278 GDQ GLC 0.435484 0.666667
279 4MU BGC BGC 0.434211 0.767442
280 ISX 0.433333 0.761905
281 MAN 7D1 0.431034 0.888889
282 ACR 0.43038 0.733333
283 QPS 0.43038 0.733333
284 GAL MGC 0.428571 0.702128
285 4MU BGC BGC BGC BGC 0.428571 0.767442
286 GAL NDG FUC 0.422535 0.717391
287 FUC NDG GAL 0.422535 0.717391
288 HMC AGL GLC 0.421053 0.717391
289 KHO 0.421053 0.888889
290 GCS GCS GCS 0.419355 0.767442
291 GCS GCS GCS GCS GCS 0.419355 0.767442
292 GCS GCS GCS GCS GCS GCS 0.419355 0.767442
293 GAL NAG GAL 0.418919 0.702128
294 NGT GAL 0.41791 0.66
295 GAL NGT 0.41791 0.66
296 P3M 0.41791 0.767442
297 GLC GAL NAG GAL FUC A2G 0.417582 0.673469
298 A2G GAL NAG FUC GAL GLC 0.417582 0.673469
299 TUR 0.416667 0.842105
300 BTU 0.416667 0.842105
301 GLC FRU 0.416667 0.842105
302 GLA MAN ABE 0.414286 0.916667
303 NAG NAG BMA 0.413333 0.634615
304 NAG NDG BMA 0.413333 0.634615
305 ACR GLC GLC GLC GLC 0.4125 0.702128
306 ACR GLC 0.4125 0.702128
307 AHR AHR AHR AHR AHR AHR 0.410714 0.857143
308 FUB AHR AHR 0.410714 0.857143
309 VAM 0.409836 0.868421
310 GLF B8D 0.409836 0.775
311 DAF GLC DAF GLC GLC 0.409639 0.702128
312 ACI GLD GLC ACI G6D BGC 0.409639 0.702128
313 AC1 GLC AC1 BGC 0.409639 0.702128
314 ACI G6D GLC ACI G6D BGC 0.409639 0.702128
315 BGC GLC AC1 GLC GLC GLC AC1 0.409639 0.702128
316 ACI GLD GLC GLC GLC ACI GLD GLC GAL 0.409639 0.702128
317 MAN MMA MAN 0.409091 0.942857
318 FUB AHR 0.407407 0.857143
319 AHR AHR 0.407407 0.857143
320 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.406977 0.653061
321 4U0 0.406593 0.66
322 BGC BGC SSG PIH 0.405063 0.767442
323 GLA MAN RAM ABE 0.405063 0.891892
324 G1P 0.403846 0.697674
325 GL1 0.403846 0.697674
326 XGP 0.403846 0.697674
327 M1P 0.403846 0.697674
328 GLC IFM 0.403226 0.727273
329 MAN IFM 0.403226 0.727273
330 MAN MAN MAN MAN MAN MAN MAN 0.402597 1
331 XZZ BGC BGC 0.402439 0.702128
332 ACG 0.402299 0.695652
333 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 with APoc: 298
This union binding pocket(no: 1) in the query (biounit: 4ouj.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 6A0S NDP 0.977199
2 6A0S HSE 0.977199
3 3ZRM ZRM 1.30293
4 3F7Z 34O 1.30293
5 2JLD AG1 1.30293
6 3LXK MI1 1.30293
7 2BYS LOB 1.32159
8 3N3T C2E 1.36054
9 3BXD INS 1.38408
10 2PTZ PAH 1.62866
11 3W0O HY0 1.62866
12 3W0O ADP 1.62866
13 5YF9 NIO 1.62866
14 2XWL CTP 1.79372
15 5YK1 ANP 1.9544
16 5LVP ATP 1.9544
17 5LI1 ANP 1.9544
18 4GVS F4M 1.9544
19 3D91 REM 1.9544
20 4Y0X ADP 1.9544
21 2AAZ UMP 1.9544
22 5LI9 ACP 1.9544
23 5DBV COA 1.9544
24 3HAZ FAD 1.9544
25 5GXU FMN 1.9544
26 1NB9 RBF 2.04082
27 1NB9 ADP 2.04082
28 3MVH WFE 2.28013
29 5VCV 1N1 2.28013
30 5HES 032 2.28013
31 2X06 NAD 2.28013
32 5WNL STU 2.28013
33 1PDZ PGA 2.28013
34 4J7H TLO 2.28013
35 3ALN ANP 2.28013
36 4DPL NAP 2.28013
37 5WYF ILP 2.28013
38 6FYZ EBE 2.28013
39 3X01 AMP 2.28013
40 4I94 ANP 2.33333
41 5VC5 96M 2.42215
42 4DYG NAG NAG NAG NAG 2.45902
43 4DYG MES 2.45902
44 1T5B FMN 2.48756
45 2BJK NAD 2.51938
46 1JG3 VAL TYR PRO IAS HIS ALA 2.55319
47 1VQ2 DDN 2.59067
48 4OH4 ANP 2.60586
49 3K5I ADP 2.60586
50 4NZ4 NDG 2.60586
51 3C6K MTA 2.60586
52 3C6K SPD 2.60586
53 3K5I AIR 2.60586
54 2GK6 ADP 2.60586
55 4CRL C1I 2.60586
56 3RHJ NAP 2.60586
57 2VG1 FPP 2.63158
58 1VD3 U2P 2.76498
59 3DOO SKM 2.88809
60 6FA4 D1W 2.89017
61 2YIP YIO 2.89855
62 4LXQ TYD 2.91971
63 4LXQ FON 2.91971
64 6G34 5ID 2.9316
65 3V8S 0HD 2.9316
66 4QMN DB8 2.9316
67 4OUC 5ID 2.9316
68 3LU1 NAD 2.9316
69 4L77 CNL 2.9316
70 3QCP FAD 2.9316
71 1VPM COA 2.95858
72 2JEN GLC GLC BGC XYS BGC XYS 3.06513
73 4NM5 ADP 3.18302
74 2IBN I1N 3.2
75 1SW0 PGA 3.22581
76 5N9T 8QQ 3.25733
77 4U44 3D9 3.25733
78 5UIU 8CG 3.25733
79 1OLT SAM 3.25733
80 2YW2 ATP 3.25733
81 2R7K ACP 3.25733
82 2R7K AMZ 3.25733
83 2WQN ADP 3.25733
84 2BLN FON 3.27869
85 4GAH 0ET 3.34928
86 6F3G CJN 3.38983
87 2DXU BT5 3.40426
88 2EV9 SKM 3.42205
89 4E1Z 0MX 3.43643
90 1U59 STU 3.48432
91 2QFY AKG 3.51288
92 4LCN GNG 3.5533
93 4C2C ALA VAL PRO ALA 3.58306
94 3V4S ADP 3.58306
95 4FHD EEM 3.58306
96 4FHD 0TT 3.58306
97 5X8I SQZ 3.58306
98 2Z23 LYS LYS LYS 3.58306
99 3B8Y ADA ADA ADA ADA 3.58306
100 2HJR APR 3.58306
101 4EJN 0R4 3.58306
102 1RE0 AFB 3.61991
103 1JZN BGC GAL 3.7037
104 1S4M LUM 3.75427
105 3A6T 8OG 3.87597
106 4WB6 ATP 3.90879
107 4WB7 ATP 3.90879
108 2QCS ANP 3.90879
109 4OAV ACP 3.90879
110 3VOT ADP 3.90879
111 4CLI 5P8 3.90879
112 3AKK ADP 3.90879
113 1GR0 NAD 3.90879
114 3TXO 07U 3.90879
115 3FHR P4O 3.90879
116 4Z87 GDP 3.90879
117 1CT9 GLN 3.90879
118 2IF8 ADP 3.90879
119 5ZCT ANP 3.92157
120 1PN4 HDC 3.92857
121 3KJI ADP 3.93701
122 5ZFJ 9BF 3.96476
123 3R35 4CO 3.97351
124 6A9F 9BF 4.03587
125 2QV6 GTP 4.10448
126 1L3I SAH 4.16667
127 2ZFU SAH 4.18605
128 1SC6 NAD 4.23453
129 1XMV ADP 4.23453
130 1TIW TFB 4.23453
131 1TIW FAD 4.23453
132 4O8A FAD 4.23453
133 2ZV2 609 4.23453
134 1RC0 KT5 4.30622
135 4UXH T5A 4.34783
136 4C0X AQN 4.4335
137 4C0X FMN 4.4335
138 3FHI ANP 4.54545
139 2V7O DRN 4.56026
140 5K4W THR 4.56026
141 2VZ6 FEF 4.56026
142 4O1P ANP 4.56026
143 1GSA ADP 4.56026
144 3UIM ANP 4.56026
145 1U5R ATP 4.56026
146 2VQD AP2 4.56026
147 2Q1W NAD 4.56026
148 4B1V ATP 4.56026
149 3KTA AP5 4.62428
150 2GQR ADP 4.64135
151 2GQS ADP 4.64135
152 2VN9 GVD 4.65116
153 4ONC 40B 4.88599
154 2I4I AMP 4.88599
155 3DLG GWE 4.88599
156 4RYD 2UE ARG TBG ARG 00S 4.88599
157 1YBU APC 4.8913
158 5MJA 7O3 4.91803
159 5H4S RAM 4.92958
160 3I3X U22 5.01931
161 3SRV S19 5.05415
162 4K49 HFQ 5.14706
163 4D9M 0JO 5.21173
164 2AL2 2PG 5.21173
165 2AL2 PEP 5.21173
166 2DW7 SRT 5.21173
167 1EBG PAH 5.21173
168 4AG5 ADP 5.21173
169 1TLC DGP 5.28302
170 1AIQ UMP 5.30303
171 1NCE UMP 5.30303
172 2A9W UMP 5.30303
173 3PLS ANP 5.36913
174 1CTU ZEB 5.44218
175 5I35 ANP 5.53746
176 3MAG SAH 5.53746
177 5C1P DAL DAL 5.55556
178 5C1P ADP 5.55556
179 4YZN 4K5 5.57491
180 5G1X ADP 5.61404
181 4M8E 29V 5.62771
182 5ANU 58T 5.6962
183 1IA9 ANP 5.71429
184 3MCT SAH 5.72391
185 4K4D HFQ 5.83942
186 2IO8 ADP 5.86319
187 5UKL SIX 5.86319
188 2RKV ZBA 5.86319
189 2RKV COA 5.86319
190 6GUE FB8 5.97015
191 4BCN T9N 6.10687
192 4CFU 2WC 6.10687
193 2JDR L20 6.18893
194 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 6.18893
195 6B3V ANP 6.18893
196 4AG8 AXI 6.18893
197 5A6N U7E 6.36042
198 3PJU C2E 6.4257
199 2Z48 NGA 6.51466
200 2Z48 A2G 6.51466
201 2Z49 AMG 6.51466
202 4AZ3 S35 6.66667
203 4G31 0WH 6.68896
204 1BUC FAD 6.78851
205 3LXN MI1 6.84039
206 1UM0 FMN 6.84039
207 5BO9 SIA GAL NGS 6.84039
208 4B2D FBP 6.84039
209 3P7G MAN 6.84932
210 3RZ3 U94 7.10383
211 1T36 ADP 7.16612
212 1Q8Y ADE 7.16612
213 1ONX ASP 7.16612
214 2G50 ALA 7.16612
215 3ORF NAD 7.17131
216 6CZ3 FLJ 7.19697
217 1TLG GAL 7.2
218 5OYH T99 7.25389
219 4C2V YJA 7.36842
220 4TWP AXI 7.38007
221 2HFP NSI 7.44681
222 4HEE 14R 7.44681
223 3IDB ANP 7.45342
224 4WTV ATP 7.49186
225 1COY FAD 7.49186
226 1COY AND 7.49186
227 4A3R CIT 7.49186
228 2P4Y C03 7.58123
229 3FUR Z12 7.72059
230 1SL4 MAN MAN MAN MAN 7.74194
231 2I8T GDD 7.78443
232 1OPK P16 7.81759
233 3QF7 ANP 7.81759
234 6AU6 GDP 7.81759
235 4X7Y SAH 8.0292
236 5IUW IAC 8.14332
237 4ZGR NGA GAL 8.42912
238 1CS4 101 8.46906
239 1CS4 FOK 8.46906
240 5U6C 7YS 8.46906
241 2PVF ACP 8.46906
242 5LPG 71V 8.53659
243 3DAK ANP 8.62069
244 2BW7 ECS 8.6758
245 2BW7 APC 8.6758
246 6EDK 1YA 8.75576
247 3RI1 3RH 8.79479
248 3GC0 AMP 8.79479
249 2WLG SOP 8.83721
250 3VPC ADP 8.86525
251 4HEQ FMN 8.90411
252 2HK9 SKM 9.09091
253 1KOR ARG 9.12052
254 1KOR SIN 9.12052
255 1KOR ANP 9.12052
256 5XQW 8EU 9.21659
257 1SL6 GAL NDG FUC 9.23913
258 1GAR U89 9.43396
259 2R40 20E 9.5057
260 4WP9 ZDA 9.60452
261 1MEX RAC 9.85915
262 4L6C 0BT 9.90099
263 2YAB AMP 10.0977
264 4R74 F6P 10.0977
265 4UP3 FAD 10.0977
266 5D63 FUC GAL GLA 10.2389
267 5D63 FUC GLA GLA 10.2389
268 4ZS4 ATP 10.7492
269 1ZP9 ATP 11.2403
270 3RE4 TO1 11.6279
271 4H2D FMN 12.1212
272 5MUA GAL 12.2378
273 2F2U M77 12.7036
274 4WQQ MAN 12.766
275 4MZQ 1VU 13.8889
276 3KN5 ANP 14.0065
277 5LXM ADP 15.7895
278 3NBC LAT 16.2162
279 4IPH 1FJ 16.2602
280 1WHT BZS 16.3399
281 2CYE COA 16.5414
282 3A23 GAL 16.6124
283 1KNM LAT 16.9231
284 2D24 XYS XYS 16.9381
285 4NP3 2L2 17.3333
286 3MEH THP 17.4825
287 5F90 GLA GAL BGC 5VQ 18.5897
288 5F90 GLA GAL 18.5897
289 5F90 LMR 18.5897
290 3BJK CIT 20.915
291 1G1T SIA GAL MAG FUC 21.0191
292 2ZQO NGA 22.3077
293 5OCG 9R5 23.2804
294 3A5Z KAA 24.6073
295 5FUI APY 25
296 4K81 GTP 25.1462
297 3DDC GNP 25.9036
298 1CLU DBG 25.9036
Pocket No.: 2; Query (leader) PDB : 4OUJ; Ligand: LBT; Similar sites found with APoc: 44
This union binding pocket(no: 2) in the query (biounit: 4ouj.bio3) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 2O7B HC4 1.30293
2 1EZ0 NAP 1.9544
3 2I7C AAT 2.12014
4 5WO4 B7V 2.31788
5 1F28 UMP 2.3569
6 5EQY 5RA 2.60586
7 4ZUL UN1 2.60586
8 1LYX PGA 3.22581
9 3KDU NKS 3.2491
10 5TVA COA 3.33333
11 4JR7 GNP 3.58306
12 2IV2 MGD 3.58306
13 3WO0 ADP 3.58306
14 3WO0 ALA 3.58306
15 2GU8 796 3.90879
16 2VVL FAD 3.90879
17 1AG9 FMN 4
18 4BFM ANP 4.23453
19 3BXF FBP 4.31373
20 4B1W ATP 4.56026
21 2PYW ADP 4.88599
22 5AE9 OKO 4.88599
23 2YAK OSV 5.26316
24 1SYN UMP 5.28302
25 1TSD UMP 5.28302
26 1JG0 UMP 5.30303
27 3SLS ANP 5.59211
28 5EW9 5VC 5.90406
29 1HKK NAA NAA AMI 6.18893
30 1Z2P ACP 7.16612
31 1Z2P I3S 7.16612
32 4K33 ACP 8.14332
33 1H0H MGD 8.41121
34 3T58 FAD 9.12052
35 5AX9 4KT 9.44625
36 3O0G 3O0 11.4094
37 1XVB 3BR 12.9412
38 4XYM A12 13.0435
39 5HQ0 LZ9 13.245
40 6GU6 1QK 13.245
41 4OTH DRN 16.129
42 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 19.544
43 1S9D AFB 26.1084
44 3BU5 ATP 26.6667
Pocket No.: 3; Query (leader) PDB : 4OUJ; Ligand: LBT; Similar sites found with APoc: 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 Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4OUJ; Ligand: LBT; Similar sites found with APoc: 5
This union binding pocket(no: 4) in the query (biounit: 4ouj.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5TA6 79D 2.28013
2 4IDT T28 4.23453
3 2PVN P63 5.21173
4 4ISK UMP 5.30303
5 6B3V 7DQ 6.18893
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