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Receptor
PDB id Resolution Class Description Source Keywords
2BW7 2.3 Å EC: 4.6.1.1 A NOVEL MECHANISM FOR ADENYLYL CYCLASE INHIBITION FROM THE CRYSTAL STRUCTURE OF ITS COMPLEX WITH CATECHOL ESTROGEN SPIRULINA PLATENSIS LYASE ADENYLYL CYCLASE CAMP SIGNALING CATECHOL ESTROGEN INHIBITOR COMPLEX OXIDOREDUCTASE
Ref.: A NOVEL MECHANISM FOR ADENYLYL CYCLASE INHIBITION FROM THE CRYSTAL STRUCTURE OF ITS COMPLEX WITH CATECHOL ESTROGEN J.BIOL.CHEM. V. 280 31754 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
APC A:2200;
B:2200;
C:2200;
D:2200;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
505.208 C11 H18 N5 O12 P3 c1nc(...
CA A:2202;
B:2202;
C:2202;
D:2202;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
ECS A:2203;
B:2203;
Valid;
Valid;
none;
none;
ic50 ~ 2 uM
288.381 C18 H24 O3 C[C@]...
MG A:2201;
B:2201;
C:2201;
D:2201;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2BW7 2.3 Å EC: 4.6.1.1 A NOVEL MECHANISM FOR ADENYLYL CYCLASE INHIBITION FROM THE CRYSTAL STRUCTURE OF ITS COMPLEX WITH CATECHOL ESTROGEN SPIRULINA PLATENSIS LYASE ADENYLYL CYCLASE CAMP SIGNALING CATECHOL ESTROGEN INHIBITOR COMPLEX OXIDOREDUCTASE
Ref.: A NOVEL MECHANISM FOR ADENYLYL CYCLASE INHIBITION FROM THE CRYSTAL STRUCTURE OF ITS COMPLEX WITH CATECHOL ESTROGEN J.BIOL.CHEM. V. 280 31754 2005
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2BW7 ic50 ~ 2 uM ECS C18 H24 O3 C[C@]12CC[....
2 1WC0 Ki = 0.3 mM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
3 1WC5 Ki = 0.3 mM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 1WC3 Ki = 0.3 mM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 1WC1 Ki ~ 0.1 mM TAT C10 H16 N5 O12 P3 S c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 2BW7 ic50 ~ 2 uM ECS C18 H24 O3 C[C@]12CC[....
2 1WC0 Ki = 0.3 mM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
3 1WC5 Ki = 0.3 mM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 1WC3 Ki = 0.3 mM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 1WC1 Ki ~ 0.1 mM TAT C10 H16 N5 O12 P3 S c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 2BW7 ic50 ~ 2 uM ECS C18 H24 O3 C[C@]12CC[....
2 1WC0 Ki = 0.3 mM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
3 1WC5 Ki = 0.3 mM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
4 1WC3 Ki = 0.3 mM APC C11 H18 N5 O12 P3 c1nc(c2c(n....
5 1WC1 Ki ~ 0.1 mM TAT C10 H16 N5 O12 P3 S c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: APC; Similar ligands found: 345
No: Ligand ECFP6 Tc MDL keys Tc
1 APC 1 1
2 ACQ 0.831169 0.986301
3 AP2 0.821918 1
4 A12 0.821918 1
5 ADV 0.805195 0.972973
6 RBY 0.805195 0.972973
7 AMP 0.777778 0.931507
8 A 0.777778 0.931507
9 ADP 0.763158 0.958904
10 ACP 0.75641 0.986301
11 6YZ 0.756098 0.986301
12 A2D 0.746667 0.932432
13 AP5 0.74026 0.932432
14 B4P 0.74026 0.932432
15 HEJ 0.734177 0.958904
16 ATP 0.734177 0.958904
17 BA3 0.727273 0.932432
18 5FA 0.725 0.958904
19 AQP 0.725 0.958904
20 ABM 0.723684 0.881579
21 AT4 0.708861 0.921053
22 AN2 0.708861 0.945946
23 M33 0.7 0.92
24 T99 0.698795 0.921053
25 TAT 0.698795 0.921053
26 SRA 0.697368 0.883117
27 AR6 0.682927 0.932432
28 APR 0.682927 0.932432
29 ADX 0.679012 0.841463
30 CA0 0.679012 0.907895
31 AU1 0.679012 0.933333
32 ANP 0.678571 0.933333
33 AD9 0.674699 0.933333
34 SAP 0.674699 0.909091
35 AGS 0.674699 0.909091
36 ADP PO3 0.674699 0.905405
37 50T 0.670732 0.92
38 PRX 0.662651 0.858974
39 ATF 0.643678 0.921053
40 MAP 0.640449 0.909091
41 A22 0.640449 0.945946
42 GAP 0.639535 0.858974
43 TAD 0.632653 0.923077
44 5AL 0.632184 0.894737
45 SON 0.626506 0.946667
46 ADQ 0.626374 0.907895
47 ALF ADP 0.625 0.8375
48 ADP ALF 0.625 0.8375
49 LMS 0.620253 0.797619
50 VO4 ADP 0.617977 0.894737
51 SRP 0.617977 0.896104
52 ADP VO4 0.617977 0.894737
53 9ZA 0.615385 0.873418
54 25A 0.615385 0.932432
55 9ZD 0.615385 0.873418
56 XYA 0.611111 0.810811
57 RAB 0.611111 0.810811
58 ADN 0.611111 0.810811
59 25L 0.610526 0.945946
60 4AD 0.608696 0.909091
61 A3R 0.608696 0.922078
62 A1R 0.608696 0.922078
63 DAL AMP 0.604396 0.87013
64 OOB 0.597826 0.894737
65 8QN 0.597826 0.894737
66 5SV 0.597826 0.839506
67 9X8 0.595745 0.884615
68 OAD 0.595745 0.907895
69 ADP BMA 0.595745 0.883117
70 AMO 0.591398 0.921053
71 PAJ 0.591398 0.851852
72 AOC 0.585366 0.789474
73 00A 0.585106 0.85
74 AHX 0.585106 0.886076
75 DLL 0.585106 0.894737
76 PTJ 0.583333 0.8625
77 3OD 0.583333 0.907895
78 BIS 0.583333 0.897436
79 3UK 0.578947 0.883117
80 DZD 0.577982 0.923077
81 5AS 0.576471 0.752809
82 5N5 0.573333 0.786667
83 PR8 0.572917 0.864198
84 WAQ 0.572917 0.897436
85 LAD 0.572917 0.875
86 B5V 0.572917 0.871795
87 4TC 0.571429 0.910256
88 TXA 0.56701 0.896104
89 NB8 0.56701 0.886076
90 1ZZ 0.56701 0.831325
91 FYA 0.56701 0.894737
92 ME8 0.56701 0.831325
93 A4D 0.565789 0.786667
94 5CD 0.565789 0.773333
95 ATP A A A 0.565657 0.893333
96 A3P 0.564706 0.931507
97 7D5 0.5625 0.868421
98 PAP 0.561798 0.945205
99 MYR AMP 0.561224 0.809524
100 G5P 0.558824 0.886076
101 M2T 0.556962 0.707317
102 A A 0.556701 0.906667
103 9SN 0.555556 0.839506
104 G2P 0.553191 0.923077
105 7D3 0.552941 0.894737
106 UP5 0.552381 0.884615
107 TXD 0.552381 0.873418
108 JB6 0.55102 0.873418
109 2A5 0.550562 0.907895
110 FA5 0.55 0.896104
111 YAP 0.55 0.884615
112 B5Y 0.55 0.860759
113 B5M 0.55 0.860759
114 G3A 0.54902 0.886076
115 3AM 0.548781 0.891892
116 A2P 0.546512 0.917808
117 7D4 0.545455 0.894737
118 XAH 0.544554 0.853659
119 ATR 0.544444 0.931507
120 EP4 0.544304 0.725
121 AFH 0.543689 0.875
122 GA7 0.543689 0.896104
123 4UV 0.539216 0.860759
124 TYR AMP 0.539216 0.860759
125 GTA 0.538462 0.853659
126 DQV 0.538462 0.92
127 G5A 0.538462 0.772727
128 NAI 0.537736 0.873418
129 DTA 0.5375 0.779221
130 3DH 0.536585 0.74359
131 LAQ 0.533333 0.831325
132 AHZ 0.533333 0.788235
133 MTA 0.530864 0.74359
134 ARG AMP 0.528846 0.821429
135 4UU 0.528846 0.860759
136 7MD 0.528846 0.853659
137 AR6 AR6 0.528846 0.881579
138 48N 0.528302 0.886076
139 LPA AMP 0.528302 0.809524
140 ITT 0.52809 0.905405
141 AMP DBH 0.524272 0.858974
142 NAX 0.523364 0.864198
143 4UW 0.523364 0.829268
144 DND 0.523364 0.896104
145 NXX 0.523364 0.896104
146 6V0 0.523364 0.8625
147 IMO 0.523256 0.891892
148 A4P 0.522936 0.813953
149 HFD 0.521739 0.909091
150 A5A 0.521277 0.77907
151 TSB 0.520833 0.790698
152 TXE 0.518519 0.873418
153 OMR 0.518519 0.843373
154 2AM 0.518072 0.905405
155 6RE 0.517647 0.753086
156 S4M 0.517241 0.681818
157 V3L 0.516129 0.932432
158 SSA 0.515789 0.793103
159 YLP 0.514019 0.833333
160 AP0 0.513761 0.8625
161 UPA 0.513761 0.873418
162 139 0.513514 0.864198
163 T5A 0.513514 0.855422
164 PPS 0.510638 0.841463
165 VMS 0.510417 0.761364
166 A2R 0.510417 0.945946
167 54H 0.510417 0.761364
168 52H 0.510417 0.752809
169 CNA 0.508929 0.896104
170 ZAS 0.505882 0.7375
171 J7C 0.505747 0.7625
172 A3N 0.505747 0.75641
173 5X8 0.505495 0.75641
174 8X1 0.505155 0.747253
175 53H 0.505155 0.752809
176 5CA 0.505155 0.793103
177 TYM 0.504587 0.896104
178 AF3 ADP 3PG 0.504587 0.829268
179 IOT 0.504505 0.845238
180 80F 0.504348 0.833333
181 ADJ 0.5 0.843373
182 7MC 0.5 0.833333
183 AMP NAD 0.5 0.87013
184 OVE 0.5 0.87013
185 YLC 0.5 0.853659
186 YLB 0.5 0.833333
187 P5A 0.49505 0.758242
188 NSS 0.494949 0.793103
189 DSZ 0.494949 0.793103
190 LSS 0.494949 0.755556
191 6AD 0.494737 0.875
192 MAO 0.494382 0.77381
193 DSH 0.494253 0.740741
194 A3D 0.491379 0.883117
195 F2R 0.491228 0.855422
196 9K8 0.490196 0.691489
197 NVA LMS 0.49 0.747253
198 AV2 0.489583 0.881579
199 COD 0.486957 0.825581
200 4TA 0.486957 0.821429
201 NAD 0.486957 0.894737
202 YLA 0.486726 0.833333
203 LEU LMS 0.485149 0.747253
204 NA7 0.485149 0.972973
205 3AT 0.484211 0.958904
206 GJV 0.483146 0.743902
207 AYB 0.482456 0.823529
208 5AD 0.480519 0.716216
209 KAA 0.480392 0.766667
210 GSU 0.480392 0.772727
211 71V 0.477778 0.873418
212 A3G 0.477273 0.792208
213 7D7 0.474359 0.736842
214 G A A A 0.474138 0.839506
215 BTX 0.474138 0.855422
216 6C6 0.473684 0.896104
217 SFG 0.473118 0.766234
218 DAT 0.473118 0.92
219 YSA 0.471698 0.772727
220 PO4 PO4 A A A A PO4 0.470588 0.866667
221 BT5 0.470085 0.845238
222 AVV 0.47 0.910256
223 SMM 0.469388 0.701149
224 SAM 0.46875 0.705882
225 6IA 0.46875 0.829268
226 DTP 0.46875 0.92
227 A7D 0.467391 0.792208
228 M24 0.466667 0.819277
229 SA8 0.463158 0.722892
230 A5D 0.463158 0.779221
231 NAE 0.46281 0.860759
232 MHZ 0.462366 0.712644
233 PGS 0.462366 0.85
234 8PZ 0.462264 0.793103
235 NAJ PZO 0.462185 0.817073
236 DA 0.460674 0.893333
237 D5M 0.460674 0.893333
238 NEC 0.460674 0.717949
239 EAD 0.459677 0.841463
240 2SA 0.459184 0.921053
241 NAQ 0.459016 0.839506
242 SAH 0.458333 0.759494
243 SAI 0.458333 0.75
244 Y3J 0.45679 0.697368
245 A A A 0.456311 0.92
246 AAM 0.455556 0.931507
247 6K6 0.455446 0.893333
248 ZID 0.455285 0.883117
249 S7M 0.454545 0.705882
250 YLY 0.454545 0.823529
251 4YB 0.454545 0.755556
252 AMZ 0.453488 0.88
253 C2R 0.453488 0.868421
254 A3S 0.451613 0.802632
255 Z5A 0.451613 0.772727
256 7DD 0.451613 0.945205
257 U A 0.45 0.873418
258 7C5 0.449541 0.7875
259 101 0.449438 0.868421
260 A G 0.449153 0.85
261 EEM 0.44898 0.705882
262 NAJ PYZ 0.447154 0.77907
263 N6P 0.446602 0.878378
264 ARU 0.446602 0.829268
265 AIR 0.445783 0.864865
266 U A G G 0.445378 0.85
267 P1H 0.445312 0.821429
268 NDE 0.445312 0.896104
269 N0B 0.443548 0.833333
270 A U 0.443478 0.8375
271 NIA 0.443182 0.792683
272 A3T 0.442105 0.789474
273 GEK 0.441176 0.753086
274 GP2 0.438776 0.923077
275 DDS 0.438776 0.868421
276 WSA 0.438596 0.781609
277 7DT 0.4375 0.945205
278 0WD 0.436975 0.886076
279 8BR 0.434783 0.871795
280 AAT 0.434343 0.722892
281 TXP 0.432203 0.886076
282 GGZ 0.431373 0.795181
283 NJP 0.428571 0.909091
284 A6D 0.428571 0.717647
285 FB0 0.427481 0.83908
286 NDC 0.427481 0.8625
287 649 0.426087 0.758242
288 7RA 0.423913 0.918919
289 NDP 0.423729 0.886076
290 0UM 0.423077 0.714286
291 8Q2 0.422414 0.766667
292 QQY 0.422222 0.78481
293 ACK 0.422222 0.826667
294 RGT 0.422018 0.921053
295 FDA 0.421053 0.825581
296 CC5 0.419753 0.808219
297 ANZ 0.419643 0.771084
298 62X 0.419048 0.681818
299 APU 0.418803 0.860759
300 6FA 0.41791 0.833333
301 128 0.417391 0.75
302 ODP 0.416667 0.875
303 3AD 0.416667 0.797297
304 TM1 0.416667 0.747126
305 K15 0.415094 0.697674
306 2BA 0.414894 0.878378
307 CMP 0.414894 0.864865
308 V1N 0.414414 0.881579
309 S8M 0.413462 0.775
310 7RP 0.413043 0.890411
311 2VA 0.412371 0.769231
312 12D 0.412281 0.758621
313 NPW 0.411765 0.876543
314 SFD 0.411765 0.729167
315 FAS 0.411765 0.843373
316 FAD 0.411765 0.843373
317 2FA 0.411765 0.782051
318 QQX 0.411111 0.775
319 62F 0.410072 0.853659
320 AS 0.408602 0.848101
321 FAI 0.408602 0.88
322 RMB 0.408602 0.837838
323 NZQ 0.408333 0.898734
324 GCP 0.407767 0.910256
325 SXZ 0.407407 0.72619
326 RP1 0.406593 0.810127
327 SP1 0.406593 0.810127
328 EO7 0.404255 0.761364
329 NVA 2AD 0.40404 0.753086
330 D3Y 0.403846 0.782051
331 KB1 0.40367 0.714286
332 A C A C 0.403226 0.817073
333 SLU 0.403226 0.744444
334 N01 0.403226 0.87013
335 G 0.402062 0.871795
336 5GP 0.402062 0.871795
337 XNP 0.401639 0.841463
338 NMN AMP PO4 0.401639 0.8375
339 DCA 0.4 0.837209
340 ETB 0.4 0.825581
341 FNK 0.4 0.797753
342 3D1 0.4 0.789474
343 3L1 0.4 0.789474
344 VRT 0.4 0.7625
345 SO8 0.4 0.759494
Ligand no: 2; Ligand: ECS; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 ECS 1 1
2 ESM 0.701493 0.897436
3 EST 0.626866 0.916667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2BW7; Ligand: APC; Similar sites found with APoc: 128
This union binding pocket(no: 1) in the query (biounit: 2bw7.bio1) has 88 residues
No: Leader PDB Ligand Sequence Similarity
1 1KNM LAT None
2 1NU4 MLA None
3 5NNT DPV None
4 4HBM 0Y7 None
5 5KK4 44E None
6 3RV5 DXC None
7 5YSI NCA 1.31579
8 3NBC LAT 1.35135
9 2QV6 GTP 1.36986
10 1M2Z BOG 1.36986
11 5C9P FUC 1.36986
12 5IJJ I6P 1.36986
13 5MUA GAL 1.36986
14 4F06 PHB 1.36986
15 5OVK NDP 1.36986
16 1TLG GAL 1.6
17 1FDJ 13P 2.28311
18 1FDJ 2FP 2.28311
19 2AL2 PEP 2.28311
20 4RUS NAG 2.28311
21 1G1T SIA GAL MAG FUC 2.54777
22 2D24 XYS XYS 2.73973
23 3X01 AMP 2.73973
24 1ICV NIO 2.73973
25 4KGM ATP 2.73973
26 1PDZ PGA 2.73973
27 2CBZ ATP 2.73973
28 3E70 GDP 2.73973
29 4G86 BNT 3.19635
30 3WBZ ATP 3.19635
31 5U97 PIT 3.19635
32 1ZED PNP 3.19635
33 3QTP 2PG 3.19635
34 2ALG DAO 3.26087
35 5L4R CPT 3.65297
36 2BCG GER 3.65297
37 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 3.65297
38 2Z49 AMG 3.65297
39 2Z48 NGA 3.65297
40 4DDY DN6 3.65297
41 2Z48 A2G 3.65297
42 5DFM MAL 3.65297
43 2PX6 DH9 3.65297
44 1UGX GAL MGC 3.7594
45 1M26 GAL A2G 3.7594
46 2CIX CEJ 4.01338
47 3B9Q MLI 4.10959
48 1GEG GLC 4.10959
49 1J78 OLA 4.10959
50 3G58 988 4.10959
51 2J6U DGT 4.56621
52 3Q3H UDP 4.56621
53 1UC2 SUC 4.56621
54 3HQP FDP 4.56621
55 3A23 GAL 4.56621
56 5KAU RHQ 4.84848
57 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.02283
58 2YRX AMP 5.02283
59 4YSX E23 5.02283
60 2GWH PCI 5.02283
61 4P5E N6P 5.02283
62 5K53 STE 5.02283
63 2B6N ALA PRO THR 5.03597
64 5IUY BOG 5.47945
65 1ZGA HMK 5.93607
66 3O01 DXC 5.93607
67 6F5W KG1 5.93607
68 2P6W FLC 6.10329
69 4LO2 GAL BGC 6.12245
70 2C3H GLC GLC 6.12245
71 5UGW GSH 6.28571
72 1D6Z HY1 6.39269
73 6BGC BGC 6.39269
74 3E7W AMP 6.39269
75 4DG8 AMP 6.39269
76 4ZVF GAV 6.39535
77 1I9Z 2IP 6.62824
78 4ZGR NGA GAL 6.84932
79 3VPD CIT 6.84932
80 1XQP 8HG 6.84932
81 4OWK NGA 7.24638
82 5V3Y 5V8 7.30594
83 1JZN BGC GAL 7.40741
84 1LSH PLD 7.76256
85 3KOX Z98 8.21918
86 2ZQO NGA 8.46154
87 4OB6 S2T 8.5044
88 4OUJ LBT 8.6758
89 3MEH THP 9.09091
90 4G9N NGA 9.09091
91 5FJJ MAN 9.13242
92 3AJ6 NGA 9.13242
93 5H4S RAM 9.13242
94 1LVW TYD 9.13242
95 6CB2 OLC 9.58904
96 1XMY ROL 9.58904
97 4OKD GLC GLC GLC 9.58904
98 4RW3 PLM 9.58904
99 1XM4 PIL 9.58904
100 1XMU ROF 9.58904
101 1BCJ NGA 9.74026
102 5M36 9SZ 10.0457
103 5M37 9SZ 10.0457
104 4DS8 A8S 10.0478
105 5Z84 CHD 10.5023
106 5ZCO CHD 10.5023
107 2Y69 CHD 10.5023
108 5W97 CHD 10.5023
109 6BSW UDP 10.5023
110 3KO0 TFP 10.8911
111 3OJI PYV 11.1111
112 6C90 ADP 11.4155
113 4LWU 20U 11.7647
114 1R6N 434 11.8721
115 3A6T 8OG 11.8721
116 5GLN XYP XYP XYP 12.7854
117 5LX9 OLB 12.7854
118 2YIP YIO 13.7681
119 2VWA PTY 13.8614
120 1E4I NFG 15.9817
121 5W7B MYR 19.6347
122 2JC9 ADN 23.2877
123 4OGQ 7PH 26.4706
124 4OGQ 2WD 26.4706
125 4G8R 96P 27.3973
126 1L0I PSR 28.2051
127 4WP9 ZDA 41.2429
128 5OYH T99 41.9689
Pocket No.: 2; Query (leader) PDB : 2BW7; Ligand: ECS; Similar sites found with APoc: 155
This union binding pocket(no: 2) in the query (biounit: 2bw7.bio1) has 88 residues
No: Leader PDB Ligand Sequence Similarity
1 1KNM LAT None
2 1NU4 MLA None
3 5KK4 44E None
4 3RV5 DXC None
5 4K55 H6P None
6 4JLS 3ZE None
7 5NNT DPV None
8 4HBM 0Y7 None
9 2BOS GLA GAL None
10 5V2L ATP 0.913242
11 3NBC LAT 1.35135
12 4WUJ FMN 1.36054
13 2QV6 GTP 1.36986
14 1M2Z BOG 1.36986
15 5MUA GAL 1.36986
16 5C9P FUC 1.36986
17 5IJJ I6P 1.36986
18 5OVK NDP 1.36986
19 4F06 PHB 1.36986
20 1TLG GAL 1.6
21 4GK9 MAN BMA MAN MAN MAN 1.82648
22 1FDJ 2FP 2.28311
23 1FDJ 13P 2.28311
24 2AL2 PEP 2.28311
25 1SDW IYT 2.28311
26 4MDB RLT 2.28311
27 2AL2 2PG 2.28311
28 4RUS NAG 2.28311
29 5DXT 5H5 2.28311
30 1G1T SIA GAL MAG FUC 2.54777
31 2D24 XYS XYS 2.73973
32 1ICV NIO 2.73973
33 4KGM ATP 2.73973
34 1PDZ PGA 2.73973
35 3E70 GDP 2.73973
36 4ETZ C2E 2.73973
37 2FKA BEF 3.10078
38 4G86 BNT 3.19635
39 3WBZ ATP 3.19635
40 5U97 PIT 3.19635
41 1ZED PNP 3.19635
42 2EA1 GPG 3.19635
43 3QTP 2PG 3.19635
44 6C1R EFD 3.19635
45 3P7N FMN 3.19635
46 2ALG DAO 3.26087
47 5KLP IHP 3.50877
48 5L4R CPT 3.65297
49 2BCG GER 3.65297
50 2Z49 AMG 3.65297
51 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 3.65297
52 2Z48 NGA 3.65297
53 2Z48 A2G 3.65297
54 4DDY DN6 3.65297
55 4NZF ARB 3.65297
56 1F52 ADP 3.65297
57 1UGX GAL MGC 3.7594
58 1M26 GAL A2G 3.7594
59 2CIX CEJ 4.01338
60 4NC7 I3C 4.0404
61 2OG2 MLI 4.10959
62 3B9Q MLI 4.10959
63 1GEG GLC 4.10959
64 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 4.10959
65 1WD4 AHR 4.10959
66 3A23 GAL 4.56621
67 2J6U DGT 4.56621
68 2NU8 COA 4.56621
69 5KAU RHQ 4.84848
70 5X7Q ACR 5.02283
71 3I0O SMI 5.02283
72 5XHA FRU 5.02283
73 5D63 FUC GLA GLA 5.02283
74 4X1B MLI 5.02283
75 5D63 FUC GAL GLA 5.02283
76 3OKP GDD 5.02283
77 3HMO STU 5.02283
78 2ET1 GLV 5.47264
79 4TVD BGC 5.47945
80 1QRD FAD 5.47945
81 1ZGA HMK 5.93607
82 3O01 DXC 5.93607
83 6F5W KG1 5.93607
84 2XN5 FUN 5.93607
85 4LO2 GAL BGC 6.12245
86 2C3H GLC GLC 6.12245
87 5UGW GSH 6.28571
88 4EE7 PIS 6.39269
89 4P25 FUC GAL NAG FUC 6.39269
90 1D6Z HY1 6.39269
91 6BGC BGC 6.39269
92 4ZVF GAV 6.39535
93 1I9Z 2IP 6.62824
94 4ZGR NGA GAL 6.84932
95 3VPD CIT 6.84932
96 1XQP 8HG 6.84932
97 3KVY URA 6.84932
98 5XQW 8EU 6.91244
99 4YLZ LAT NAG GAL 7.18954
100 4OWK NGA 7.24638
101 5V3Y 5V8 7.30594
102 1LSH PLD 7.76256
103 4RDL FUC GAL NDG FUC 8.11688
104 1WMA AB3 8.21918
105 3KOX Z98 8.21918
106 2ZQO NGA 8.46154
107 4OB6 S2T 8.5044
108 5LPG 71V 8.53659
109 4OUJ LBT 8.6758
110 4G9N NGA 9.09091
111 3MEH THP 9.09091
112 5FJJ MAN 9.13242
113 3AJ6 NGA 9.13242
114 5H4S RAM 9.13242
115 1LVW TYD 9.13242
116 4I9A NCN 9.13242
117 5BTX CMP 9.58904
118 1XMY ROL 9.58904
119 5M36 9SZ 10.0457
120 5M37 9SZ 10.0457
121 5Z84 CHD 10.5023
122 5ZCO CHD 10.5023
123 2Y69 CHD 10.5023
124 5W97 CHD 10.5023
125 5ZCO PGV 10.5023
126 2DYR PGV 10.5023
127 3KO0 TFP 10.8911
128 2HHP FLC 10.9589
129 3OJI PYV 11.1111
130 6C90 ADP 11.4155
131 5ZZB LAB 11.7647
132 1R6N 434 11.8721
133 3A6T 8OG 11.8721
134 1DTL BEP 12.4224
135 5GLN XYP XYP XYP 12.7854
136 5LX9 OLB 12.7854
137 2YIP YIO 13.7681
138 2VWA PTY 13.8614
139 1XVB 3BR 14.1553
140 4ZU4 4TG 14.8649
141 4LH7 NMN 15.0685
142 4V1F BQ1 15.1163
143 5OM2 DXT 15.5251
144 1HBK MYR 15.7303
145 4L4J NAG NAG BMA MAN NAG 17.3516
146 5W7B MYR 19.6347
147 2JC9 ADN 23.2877
148 5NCF 8T5 25.6637
149 4OGQ 7PH 26.4706
150 4OGQ 2WD 26.4706
151 4G8R 96P 27.3973
152 1L0I PSR 28.2051
153 4WP9 ZDA 41.2429
154 5OYH T99 41.9689
155 4F4S EFO 44.7368
Pocket No.: 3; Query (leader) PDB : 2BW7; Ligand: ECS; Similar sites found with APoc: 42
This union binding pocket(no: 3) in the query (biounit: 2bw7.bio1) has 88 residues
No: Leader PDB Ligand Sequence Similarity
1 4IBF 1D5 None
2 1FAO 4IP 1.5873
3 1SL6 GAL NDG FUC 1.63043
4 1Y7P RIP 2.28311
5 1QB7 ADE 2.28311
6 3EUF BAU 2.28311
7 1UPF URF 2.73973
8 1QPR PPC 2.73973
9 5XJ7 87O 2.98507
10 5MW8 5MY 3.19635
11 4LOC OXM 3.19635
12 5JOG 6LT 3.19635
13 5OVV ACE ILE GLU SER THR GLU ILE 3.25203
14 6G9I CXX 3.57143
15 2PX6 DH9 3.65297
16 4Z7X 3CX 3.65297
17 1J78 OLA 4.10959
18 4REF 3N0 4.10959
19 4WQQ MAN 4.96454
20 2YRX AMP 5.02283
21 6DCH CHT 5.02283
22 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.02283
23 5MR6 FAD 5.02283
24 5JIB OIA 5.47945
25 4HWT 1B2 5.47945
26 1OQC FAD 5.6
27 1MJT ITU 5.93607
28 4RYV ZEA 6.45161
29 5OCA 9QZ 7.30594
30 1H3F TYE 7.30594
31 1JZN BGC GAL 7.40741
32 4P83 U5P 7.69231
33 3DC4 ADP 7.76256
34 5AZC PGT 7.76256
35 1NF8 BOG 8.21256
36 4P86 5GP 9.28962
37 4B1X LAB 9.58904
38 1BCJ NGA 9.74026
39 4DS8 A8S 10.0478
40 3NMV PYV 10.1124
41 5H9P TD2 12.6582
42 2WOR 2AN 14
Pocket No.: 4; Query (leader) PDB : 2BW7; Ligand: APC; Similar sites found with APoc: 47
This union binding pocket(no: 4) in the query (biounit: 2bw7.bio1) has 91 residues
No: Leader PDB Ligand Sequence Similarity
1 1L7N ALF None
2 4PYA 2X3 1.24224
3 4NTO 1PW 1.44928
4 4GK9 MAN BMA MAN MAN MAN 1.82648
5 1KNY KAN 2.28311
6 4MDB RLT 2.28311
7 3AB4 THR 2.73973
8 5FXD H7Y 2.73973
9 4RKK GLC GLC GLC GLC GLC GLC 3.19635
10 2EA1 GPG 3.19635
11 6C1R EFD 3.19635
12 1SZO CAX 3.65297
13 4NC7 I3C 4.0404
14 2OG2 MLI 4.10959
15 1RV0 NDG 4.375
16 1W2D ADP 4.56621
17 4WBD CIT 5.02283
18 5K52 OCD 5.02283
19 4KVL PLM 5.47945
20 2DVZ GLU 5.47945
21 3W54 RNB 5.47945
22 1QRD FAD 5.47945
23 1GRN AF3 5.91133
24 1MJT ITU 5.93607
25 1S1D GP2 5.93607
26 1WMA AB3 8.21918
27 5LPG 71V 8.53659
28 2P3V SRT 8.6758
29 1KYQ NAD 9.13242
30 4I9A NCN 9.13242
31 3NMV PYV 10.1124
32 3QFU ADP 10.5023
33 5URY PAM 10.9589
34 2HHP FLC 10.9589
35 5LGD PLM 11.8721
36 1DTL BEP 12.4224
37 2WOR 2AN 14
38 1XVB 3BR 14.1553
39 5GPG RAP 14.5299
40 4ZU4 4TG 14.8649
41 2RBK VN4 15.0685
42 4V1F BQ1 15.1163
43 5OM2 DXT 15.5251
44 1HBK MYR 15.7303
45 5G6U TRP 15.9817
46 4L4J NAG NAG BMA MAN NAG 17.3516
47 5NCF 8T5 25.6637
Pocket No.: 5; Query (leader) PDB : 2BW7; Ligand: APC; Similar sites found with APoc: 32
This union binding pocket(no: 5) in the query (biounit: 2bw7.bio2) has 74 residues
No: Leader PDB Ligand Sequence Similarity
1 4WGF HX2 None
2 4WG0 CHD None
3 2ZX2 RAM 1.02564
4 4L80 OXL 1.82648
5 2XOC ADP 1.82648
6 4RUS NDG 2.28311
7 5WZE PRO 2.28311
8 4XJ7 ADE 2.28311
9 3MBC NAP 2.28311
10 3B9Z CO2 2.73973
11 3N29 GOL 2.73973
12 5OSW DIU 2.73973
13 1YAA MAE 3.19635
14 3ISN EDM 3.65297
15 3WW2 SF9 3.90625
16 1SBR VIB 4
17 2NU8 COA 4.56621
18 4IA6 EIC 4.56621
19 1H5R THM 5.02283
20 6MJ7 ARG 5.45455
21 1EU1 GLC 5.47945
22 4TVD BGC 5.47945
23 3RGG AIR 6.28931
24 3ROE THM 6.79245
25 5J47 6JJ 6.84932
26 4NFE BEN 7.30594
27 2OZ5 7XY 9.58904
28 4CQB MLI 10.9589
29 6I6X H6B 12.3288
30 6I6R H62 12.3288
31 6H8S FSZ 13.242
32 1HBK COA 15.7303
Pocket No.: 6; Query (leader) PDB : 2BW7; Ligand: APC; Similar sites found with APoc: 7
This union binding pocket(no: 6) in the query (biounit: 2bw7.bio2) has 85 residues
No: Leader PDB Ligand Sequence Similarity
1 3LEK BCW 1.96078
2 2IYF ERY 2.73973
3 6G9I CXX 3.57143
4 4WH9 3M8 4.37158
5 5X7Q ACR 5.02283
6 1H3F TYE 7.30594
7 5L7V GNL 10.9589
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