-->
Receptor
PDB id Resolution Class Description Source Keywords
4LO2 2.25 Å NON-ENZYME: OTHER HA17-HA33-LAC CLOSTRIDIUM BOTULINUM PROGENITOR TOXIN COMPLEX BOTULINUM NEUROTOXIN BOTULISM NEASSOCIATED PROTEIN HEMAGGLUTININ CARBOHYDRATE/SUGAR BINDISECRETED PROTEIN PROTEIN TRANSPORT
Ref.: STRUCTURE OF A BIMODULAR BOTULINUM NEUROTOXIN COMPL PROVIDES INSIGHTS INTO ITS ORAL TOXICITY. PLOS PATHOG. V. 9 03690 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL BGC A:301;
B:301;
Valid;
Valid;
none;
none;
Kd ~ 1 mM
342.297 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4LO2 2.25 Å NON-ENZYME: OTHER HA17-HA33-LAC CLOSTRIDIUM BOTULINUM PROGENITOR TOXIN COMPLEX BOTULINUM NEUROTOXIN BOTULISM NEASSOCIATED PROTEIN HEMAGGLUTININ CARBOHYDRATE/SUGAR BINDISECRETED PROTEIN PROTEIN TRANSPORT
Ref.: STRUCTURE OF A BIMODULAR BOTULINUM NEUROTOXIN COMPL PROVIDES INSIGHTS INTO ITS ORAL TOXICITY. PLOS PATHOG. V. 9 03690 2013
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 4LO2 Kd ~ 1 mM GAL BGC n/a n/a
2 5BP5 - IPT C9 H18 O5 S CC(C)S[C@H....
3 4LO3 Kd ~ 1 mM GAL NDG n/a n/a
4 4LO1 Kd ~ 1.8 mM GAL C6 H12 O6 C([C@@H]1[....
5 5BQU Kd = 1.37 mM FRU GAL n/a n/a
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 4LO2 Kd ~ 1 mM GAL BGC n/a n/a
2 5BP5 - IPT C9 H18 O5 S CC(C)S[C@H....
3 4LO3 Kd ~ 1 mM GAL NDG n/a n/a
4 4LO1 Kd ~ 1.8 mM GAL C6 H12 O6 C([C@@H]1[....
5 5BQU Kd = 1.37 mM FRU GAL n/a n/a
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 4LO2 Kd ~ 1 mM GAL BGC n/a n/a
2 5BP5 - IPT C9 H18 O5 S CC(C)S[C@H....
3 4LO3 Kd ~ 1 mM GAL NDG n/a n/a
4 4LO1 Kd ~ 1.8 mM GAL C6 H12 O6 C([C@@H]1[....
5 5BQU Kd = 1.37 mM FRU GAL n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL BGC; 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 : 4LO2; Ligand: GAL BGC; Similar sites found with APoc: 286
This union binding pocket(no: 1) in the query (biounit: 4lo2.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 4NW6 2NS None
2 2DT9 THR None
3 4UXH T5A None
4 1W4R TTP 2.04082
5 2ORV 4TA 2.04082
6 5OCG 9R5 2.1164
7 4I4Z 2NE 2.18182
8 3ITJ FAD 2.36486
9 1TLG GAL 2.4
10 5VCV 1N1 2.7027
11 4J7H TLO 2.7027
12 2GQR ADP 2.72109
13 1O44 852 2.77778
14 4C0X FMN 2.95567
15 4C0X AQN 2.95567
16 3ALN ANP 3.04054
17 4HZO COA 3.04054
18 4NBI D3Y 3.04878
19 3BXF FBP 3.13725
20 1OLT SAM 3.37838
21 2E7Z MGD 3.37838
22 4C2C ALA VAL PRO ALA 3.40136
23 1XMV ADP 3.40136
24 5IH9 6BF 3.40136
25 5ZCT ANP 3.40136
26 6B5G NAD 3.40136
27 3GE7 AFQ 3.40136
28 6B5G CQY 3.40136
29 5LRT ADP 3.40136
30 4OJ8 AKG 3.40136
31 4OJ8 2TQ 3.40136
32 1VPM COA 3.5503
33 4A3R CIT 3.71622
34 2CYE COA 3.7594
35 3A6T 8OG 3.87597
36 3R35 4CO 3.97351
37 6FV4 16G 4.05405
38 4DQ2 BTX 4.05405
39 3MVH WFE 4.08163
40 1PN4 HDC 4.08163
41 4OH4 ANP 4.08163
42 4WB7 ATP 4.08163
43 4YMX ARG 4.08163
44 3GC0 AMP 4.08163
45 4I94 ANP 4.08163
46 4MZQ 1VU 4.16667
47 1YBU APC 4.34783
48 2C42 TPP 4.39189
49 2C42 PYR 4.39189
50 2IBN I1N 4.4
51 1S4M LUM 4.43686
52 1JZN BGC GAL 4.44444
53 3BXD INS 4.49827
54 4LTN FMN 4.56853
55 4LTN NAI 4.56853
56 5JGA 6KC 4.7619
57 1SC6 NAD 4.7619
58 3V8S 0HD 4.7619
59 1GSA ADP 4.7619
60 2RIO ADP 4.7619
61 2F2U M77 4.7619
62 3FHR P4O 4.7619
63 1U2Z SAH 4.7619
64 2Q1W NAD 4.7619
65 6GXA TB8 4.7619
66 6A9F 9BF 4.93274
67 5MJA 7O3 5.06757
68 4K4D HFQ 5.10949
69 1IYE PGU 5.40541
70 2Z48 NGA 5.44218
71 2Z48 A2G 5.44218
72 2Z49 AMG 5.44218
73 4BFM ANP 5.44218
74 5HES 032 5.44218
75 1N07 FMN 5.44218
76 1AKV FMN 5.44218
77 1GR0 NAD 5.44218
78 4D9M 0JO 5.44218
79 2PTZ PAH 5.44218
80 2WQN ADP 5.44218
81 3P7G MAN 5.47945
82 4AG5 ADP 5.74324
83 2WU6 DKI 5.74324
84 4LXQ TYD 5.83942
85 4LXQ FON 5.83942
86 4K49 HFQ 5.88235
87 4H2D FMN 6.06061
88 2BW7 ECS 6.12245
89 2BW7 APC 6.12245
90 4TMN 0PK 6.12245
91 4O1P ANP 6.12245
92 5UKL SIX 6.12245
93 5LI1 ANP 6.12245
94 3V4S ADP 6.12245
95 4WNK 453 6.12245
96 1HKK NAA NAA AMI 6.12245
97 5ZFJ 9BF 6.12245
98 3PVW QRX 6.12245
99 4WZ8 3W7 6.12245
100 3VPC ADP 6.38298
101 3C6K SPD 6.41892
102 3C6K MTA 6.41892
103 4XYM A12 6.52174
104 2YIP YIO 6.52174
105 4XZ3 ACP 6.52174
106 1VQ2 DDN 6.73575
107 4OAV ACP 6.80272
108 5JZJ AN2 6.80272
109 1F2U ATP 6.80272
110 4XTX 590 6.80272
111 3N26 ARG 6.80272
112 2X24 X24 6.80272
113 4CQE CQE 6.83453
114 3MEH THP 6.99301
115 3ORF NAD 7.17131
116 2VN9 GVD 7.43243
117 2QCS ANP 7.43243
118 2GU8 796 7.43243
119 1RE8 BD2 7.43243
120 2VZ6 FEF 7.43243
121 5G1X ADP 7.48299
122 1WPY BTN 7.48299
123 2DXU BT5 7.48299
124 2X2M X2M 7.48299
125 5CPS GLC GLC GLC GLC GLC GLC GLC GLC 7.48299
126 5CPS GLC GLC GLC GLC GLC GLC GLC GLC GLC 7.48299
127 6G34 5ID 7.48299
128 4JR7 GNP 7.48299
129 4OUC 5ID 7.48299
130 5GXU FMN 7.48299
131 3WO0 ADP 7.48299
132 3WO0 ALA 7.48299
133 2QFY AKG 7.48299
134 5K4W THR 7.48299
135 1G1T SIA GAL MAG FUC 7.64331
136 2I8T GDD 7.78443
137 5N9T 8QQ 8.16327
138 1JG3 VAL TYR PRO IAS HIS ALA 8.16327
139 1TLC DGP 8.16327
140 2DW7 SRT 8.16327
141 3RZ3 U94 8.19672
142 6C0T EE4 8.44595
143 3KN5 ANP 8.44595
144 4E1Z 0MX 8.59107
145 3DAK ANP 8.62069
146 1VD3 U2P 8.75576
147 5LVP ATP 8.84354
148 1RC0 KT5 8.84354
149 5YF9 NIO 8.84354
150 6F3G CJN 8.84354
151 4TWP AXI 8.84354
152 5EQY 5RA 8.84354
153 4C2W ANP 8.84354
154 5EYK 5U5 8.84354
155 4QMN DB8 8.84354
156 5YK1 ANP 8.84354
157 3T58 FAD 8.84354
158 4N9I PCG 8.84354
159 1L3I SAH 8.85417
160 2ZFZ ARG 8.86076
161 3FHI ANP 9.09091
162 4OTH DRN 9.12162
163 2O07 MTA 9.12162
164 2O07 SPD 9.12162
165 4ZUL UN1 9.45946
166 3KLL MAL 9.45946
167 2PVF ACP 9.52381
168 2VG1 FPP 9.52381
169 6GU6 1QK 9.52381
170 5M06 ADP 9.52381
171 1UNH IXM 9.52381
172 5HQ0 LZ9 9.52381
173 3O0G 3O0 9.52381
174 4J7U NAP 9.52381
175 3ABI NAD 9.52381
176 1T36 ADP 9.52381
177 4J7U YTZ 9.52381
178 4URN NOV 9.77778
179 1UM0 FMN 9.7973
180 3C0G 3AM 9.7973
181 1P72 ADP 9.7973
182 4Z87 GDP 9.7973
183 6FA4 D1W 9.82659
184 1GAR U89 9.90566
185 1UPT GTP 10
186 3Q60 ATP 10.1351
187 2G50 ALA 10.1351
188 4ONA UW1 10.1351
189 6EDK 1YA 10.1382
190 2P4Y C03 10.2041
191 3FUR Z12 10.2041
192 4HEE 14R 10.2041
193 2HFP NSI 10.2041
194 4WP9 ZDA 10.2041
195 2IO8 ADP 10.2041
196 3H0A D30 10.2041
197 3G9E RO7 10.2041
198 4FL3 ANP 10.2041
199 6AU6 GDP 10.2041
200 4WQQ MAN 10.6383
201 3MBG FAD 10.7914
202 1ZP9 ATP 10.8527
203 1ZTH ADP 10.8527
204 3LU1 NAD 10.8844
205 5FI4 5XV 10.8844
206 5D63 FUC GAL GLA 10.9215
207 5D63 FUC GLA GLA 10.9215
208 3RE4 TO1 11.2403
209 1CZR FMN 11.2426
210 5OYH T99 11.399
211 5AX9 4KT 11.4865
212 1OBD ATP 11.4865
213 1PDZ PGA 11.5646
214 1TIW FAD 11.5646
215 1TIW TFB 11.5646
216 4CLI 5P8 11.5646
217 4O8A FAD 11.5646
218 1U5R ATP 11.5646
219 5H2U 1N1 11.6105
220 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 11.8243
221 2JDR L20 11.8243
222 3U5S FAD 11.9048
223 1KOR SIN 12.2449
224 1KOR ARG 12.2449
225 4NP3 2L2 12.2449
226 3T1A 5MA 12.2449
227 1LSH PLD 12.2449
228 4O6M C5P 12.2449
229 6GUE FB8 12.3134
230 4ONC 40B 12.3239
231 4CFU 2WC 12.5954
232 4ZGR NGA GAL 12.9252
233 2PYW ADP 12.9252
234 2YAB AMP 12.9252
235 4HEQ FMN 13.0137
236 4FE2 ADP 13.3333
237 5F90 GLA GAL 13.6054
238 5F90 GLA GAL BGC 5VQ 13.6054
239 5F90 LMR 13.6054
240 5B48 TDN 13.6054
241 3E5A VX6 13.6364
242 3ZRM ZRM 13.8514
243 4NM5 ADP 14.1892
244 2JLD AG1 14.1892
245 2C6Q NDP 14.1892
246 2GQS ADP 14.2857
247 1O3Y GTP 14.2857
248 5Y6Q MCN 14.2857
249 4IZC 1GZ 14.9091
250 2FCR FMN 14.966
251 4U03 TLL 14.966
252 5UIU 8CG 15.6463
253 5LXM ADP 15.7895
254 2R40 20E 15.7895
255 1KNM LAT 16.1538
256 2QV6 GTP 16.3265
257 3VOT ADP 16.3265
258 1RE0 AFB 16.3265
259 3PLS ANP 16.8919
260 5MUA GAL 17.0068
261 4K33 ACP 17.0068
262 5BVE 4VG 17.0068
263 4WTV ATP 17.0068
264 3A23 GAL 17.5676
265 5U6C 7YS 17.5676
266 5LPG 71V 17.6871
267 3VYK MMA MAN NAG MAN NAG NAG 17.8295
268 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 18
269 1WUU ANP 18.2432
270 5IVE 6E8 18.2432
271 5C1P ADP 18.3673
272 5C1P DAL DAL 18.3673
273 1GZ4 ATP 18.3673
274 3K5I ADP 18.9189
275 4AT3 LTI 19.2568
276 2D24 XYS XYS 19.7279
277 3T7V SAM 19.9324
278 2ZQO NGA 20
279 3VRY B43 20.4082
280 1XVB 3BR 21.0884
281 2V1O COA 21.7687
282 3NBC LAT 23.1293
283 4O6W ACE PRO LEU 2SO SER TPO NH2 25.8503
284 2AL2 PEP 27.2109
285 1CS4 FOK 33.3333
286 1CS4 101 33.3333
Pocket No.: 2; Query (leader) PDB : 4LO2; Ligand: GAL BGC; Similar sites found with APoc: 77
This union binding pocket(no: 2) in the query (biounit: 4lo2.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 6CHP F0Y 1.86335
2 6A0S NDP 2.02703
3 6A0S HSE 2.02703
4 4DXD 9PC 2.36486
5 1KPH 10A 2.43902
6 5WYF ILP 2.72109
7 1RJ9 GCP 3.37838
8 5VC5 96M 3.40136
9 1OQC FAD 4
10 3GF4 UPG 4.08163
11 3GF4 FAD 4.08163
12 4WB6 ATP 4.08163
13 2DJH 3PD UM3 4.34783
14 1Z2I NAD 4.39189
15 3FVQ ATP 4.7619
16 5Y77 FAD 4.7619
17 3VHE 42Q 4.7619
18 4S3R 7SA 4.7619
19 6C1S EFV 4.7619
20 2Q16 ITT 5.02283
21 5MZI FYK 5.06757
22 5MZI FAD 5.06757
23 4N65 AQN 5.66038
24 4N65 FMN 5.66038
25 4ZRN NAD 6.08108
26 4ZRN UPG 6.08108
27 3HDY FAD 6.12245
28 3HDY GDU 6.12245
29 1EK6 UPG 6.12245
30 1EK6 NAI 6.12245
31 3E8N VRA 6.12245
32 3E8N ATP 6.12245
33 3HDY FDA 6.12245
34 3TCT 3MI 6.29921
35 6GPC ARG 6.34921
36 3ND6 ATP 6.43275
37 1ONX ASP 6.75676
38 2XNJ NAP 6.76692
39 4ZL4 4PK 6.80272
40 3D91 REM 6.80272
41 5FUI APY 6.81818
42 6C7Y ADP 6.83761
43 5A89 FMN 7.05128
44 5A89 ADP 7.05128
45 5XQW 8EU 7.37327
46 5BO9 SIA GAL NGS 7.43243
47 4WZ6 ATP 7.48299
48 4UOX PLP PUT 7.48299
49 1ZBQ NAD 7.48299
50 4RPL FAD 7.77027
51 4RPL 3UC 7.77027
52 3IDB ANP 8.07453
53 3KMW ATP 8.52713
54 3RWP ABQ 8.84354
55 4C2V YJA 8.84354
56 5TVA COA 8.84354
57 4QAC KK3 8.84354
58 3WR7 COA 9.41177
59 4NZ4 NDG 10.2041
60 5OCS FMN 10.473
61 5G09 6DF 10.473
62 3KDU NKS 10.8844
63 4ER2 IVA VAL VAL STA ALA STA 10.8844
64 4TXE 38F 10.8844
65 1MEX RAC 12.2066
66 3DLG GWE 12.2449
67 3GQI ACP 12.9252
68 1ON3 MCA 12.9252
69 1T5B FMN 12.9353
70 3RLF ANP 13.6054
71 3BZ3 YAM 13.6054
72 3UH0 TSB 13.8514
73 3F7Z 34O 13.8514
74 1L2T ATP 14.2857
75 4IPH 1FJ 16.2602
76 1OPK P16 20.4082
77 2IFW ACE PHE LYS PHE PSA LEU AAR 20.4082
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