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Receptor
PDB id Resolution Class Description Source Keywords
2Q0U 1.45 Å NON-ENZYME: MOBILE STRUCTURE OF PECTENOTOXIN-2 AND LATRUNCULIN B BOUND TO ACTIN ORYCTOLAGUS CUNICULUS PECTENOTOXIN LATRUNCULIN B ACTIN ANTI-TUMOR FILAMENT CAPNATURAL PRODUCT CYTOTOXIN MACROLIDE STRUCTURAL PROTEIN
Ref.: A STRUCTURAL BASIS FOR REGULATION OF ACTIN POLYMERI PECTENOTOXINS. J.MOL.BIOL. V. 371 959 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:425;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
CA A:400;
A:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
40.078 Ca [Ca+2...
LAB A:401;
Valid;
none;
submit data
395.513 C20 H29 N O5 S C[C@H...
PXT A:500;
Valid;
none;
submit data
857.034 C47 H68 O14 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FXU 1.35 Å NON-ENZYME: MOBILE X-RAY STRUCTURE OF BISTRAMIDE A- ACTIN COMPLEX AT 1.35 A RES ORYCTOLAGUS CUNICULUS ACTIN COMPLEXED TO BISTRAMIDE A STRUCTURAL PROTEIN
Ref.: STRUCTURE OF BISTRAMIDE A-ACTIN COMPLEX AT A 1.35 A RESOLUTION J.AM.CHEM.SOC. V. 128 3882 2006
Members (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 65 families.
1 1WUA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2GWJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1NWK - RHO C28 H25 N3 O5 CN(C)c1ccc....
4 2Q0R - PXT C47 H68 O14 C[C@@H]/1C....
5 3EKS - CY9 C30 H37 N O6 C[C@H]1CC=....
6 1S22 - ULA C46 H66 N4 O13 C[C@H]1CC(....
7 2HMP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 1QZ5 - KAB C48 H75 N5 O14 C[C@H]1C[C....
9 1RDW - LAR C22 H31 N O5 S C[C@H]/1CC....
10 2Q0U - LAB C20 H29 N O5 S C[C@H]1CC[....
11 2HF3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 1QZ6 - JAS C44 H64 N4 O13 C[C@@H]1CC....
13 3EKU - CY9 C30 H37 N O6 C[C@H]1CC=....
14 2ASO - SPX C53 H85 N O14 C[C@H]1C=C....
15 2HF4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 2A5X - LAR C22 H31 N O5 S C[C@H]/1CC....
17 2FXU Kd = 7 nM BID C40 H68 N2 O8 CC=CC(=O)C....
18 3EL2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 1YXQ - SWI C78 H132 O20 C[C@H]1C[C....
20 2ASP - RGC C52 H84 O14 C[C@H]1C=C....
21 4K41 - KAB C48 H75 N5 O14 C[C@H]1C[C....
22 2Q36 - KAB C48 H75 N5 O14 C[C@H]1C[C....
23 3M6G - LO3 C42 H70 O12 C[C@H]1C[C....
24 2ASM - RGA C54 H87 N O13 C[C@H]1/C=....
25 2GWK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2VYP - RH9 C78 H124 N4 O22 C[C@@H](CC....
27 1J6Z - RHO C28 H25 N3 O5 CN(C)c1ccc....
70% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 56 families.
1 1WUA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2GWJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1NWK - RHO C28 H25 N3 O5 CN(C)c1ccc....
4 2Q0R - PXT C47 H68 O14 C[C@@H]/1C....
5 3EKS - CY9 C30 H37 N O6 C[C@H]1CC=....
6 1S22 - ULA C46 H66 N4 O13 C[C@H]1CC(....
7 2HMP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 1QZ5 - KAB C48 H75 N5 O14 C[C@H]1C[C....
9 1RDW - LAR C22 H31 N O5 S C[C@H]/1CC....
10 2Q0U - LAB C20 H29 N O5 S C[C@H]1CC[....
11 2HF3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 1QZ6 - JAS C44 H64 N4 O13 C[C@@H]1CC....
13 3EKU - CY9 C30 H37 N O6 C[C@H]1CC=....
14 2ASO - SPX C53 H85 N O14 C[C@H]1C=C....
15 2HF4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 2A5X - LAR C22 H31 N O5 S C[C@H]/1CC....
17 2FXU Kd = 7 nM BID C40 H68 N2 O8 CC=CC(=O)C....
18 3EL2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 1YXQ - SWI C78 H132 O20 C[C@H]1C[C....
20 2ASP - RGC C52 H84 O14 C[C@H]1C=C....
21 4K41 - KAB C48 H75 N5 O14 C[C@H]1C[C....
22 2Q36 - KAB C48 H75 N5 O14 C[C@H]1C[C....
23 3M6G - LO3 C42 H70 O12 C[C@H]1C[C....
24 2ASM - RGA C54 H87 N O13 C[C@H]1/C=....
25 2GWK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2VYP - RH9 C78 H124 N4 O22 C[C@@H](CC....
27 1J6Z - RHO C28 H25 N3 O5 CN(C)c1ccc....
28 4PL7 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 1WUA - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 2GWJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 1NWK - RHO C28 H25 N3 O5 CN(C)c1ccc....
4 2Q0R - PXT C47 H68 O14 C[C@@H]/1C....
5 3EKS - CY9 C30 H37 N O6 C[C@H]1CC=....
6 1S22 - ULA C46 H66 N4 O13 C[C@H]1CC(....
7 2HMP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 1QZ5 - KAB C48 H75 N5 O14 C[C@H]1C[C....
9 1RDW - LAR C22 H31 N O5 S C[C@H]/1CC....
10 2Q0U - LAB C20 H29 N O5 S C[C@H]1CC[....
11 2HF3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
12 1QZ6 - JAS C44 H64 N4 O13 C[C@@H]1CC....
13 3EKU - CY9 C30 H37 N O6 C[C@H]1CC=....
14 2ASO - SPX C53 H85 N O14 C[C@H]1C=C....
15 2HF4 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 2A5X - LAR C22 H31 N O5 S C[C@H]/1CC....
17 2FXU Kd = 7 nM BID C40 H68 N2 O8 CC=CC(=O)C....
18 3EL2 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 1YXQ - SWI C78 H132 O20 C[C@H]1C[C....
20 2ASP - RGC C52 H84 O14 C[C@H]1C=C....
21 4K41 - KAB C48 H75 N5 O14 C[C@H]1C[C....
22 2Q36 - KAB C48 H75 N5 O14 C[C@H]1C[C....
23 3M6G - LO3 C42 H70 O12 C[C@H]1C[C....
24 2ASM - RGA C54 H87 N O13 C[C@H]1/C=....
25 2GWK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
26 2VYP - RH9 C78 H124 N4 O22 C[C@@H](CC....
27 1J6Z - RHO C28 H25 N3 O5 CN(C)c1ccc....
28 4PL7 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
Ligand no: 2; Ligand: LAB; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 LAB 1 1
2 LAR 0.806818 0.983333
Ligand no: 3; Ligand: PXT; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PXT 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FXU; Ligand: BID; Similar sites found with APoc: 76
This union binding pocket(no: 1) in the query (biounit: 2fxu.bio1) has 85 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 3KPE TM3 None
3 1TUK PGM None
4 1O44 852 None
5 1DNP MHF 1.33333
6 3UEC ALA ARG TPO LYS 1.36986
7 2WW4 ADP 1.41343
8 4RHS SIA SIA GAL 1.63934
9 1II7 DA 1.8018
10 3FXU TSU 1.96721
11 5VKM GAL SIA 2.16049
12 5WXU FLC 2.4
13 1VHZ APR 2.52525
14 5F90 LMR 2.5641
15 5I85 PC 2.66667
16 6FGL UO1 2.85714
17 6MFL OPV 2.92208
18 4DOO DAO 2.92683
19 5AZC PGT 3
20 4URX HXY 3.24324
21 3CR4 PNT 3.26087
22 1Z0A GDP 3.44828
23 1XQP 8HG 3.51562
24 5H4S RAM 3.52113
25 1I0B PEL 3.61446
26 3RS8 ALA TRP LEU PHE GLU ALA 3.73333
27 5TDF ADE 3.73333
28 4PPF FLC 4
29 4G0P U5P 4.08163
30 1Z0N BCD 4.16667
31 3TW1 AHN 4.21941
32 5L4R CPT 4.34783
33 1LCK GLU GLY GLN PTR GLN PRO GLN PRO ALA 4.57143
34 1JOC ITP 4.8
35 6CS9 PIO 4.87805
36 2D3Y DU 5.02283
37 6BR8 PGV 5.15873
38 4EBZ NAG NAG NAG NAG 5.18868
39 5YIZ EF2 5.40541
40 5YJ0 EF2 5.40541
41 5YJ1 6EL 5.40541
42 4IBF 1D5 5.42636
43 1ZED PNP 5.6
44 1TV5 N8E 5.86667
45 2VWA PTY 5.94059
46 5GVR LMR 5.98291
47 2WOR 2AN 6
48 3QX9 ATP 6.52174
49 5NM7 GLY 6.76692
50 5LX9 OLB 7.04225
51 3LN9 FLC 7.19424
52 5CHR 4NC 7.29927
53 1PVC ILE SER GLU VAL 7.74908
54 2YLD CMO 7.87402
55 3KO0 TFP 7.92079
56 1R1Q ACE ARG GLU PTR VAL ASN VAL 8
57 4LC1 GDP 8.30861
58 3JQ8 DX3 8.33333
59 3BMO AX4 8.33333
60 4CM9 YGL 8.33333
61 1XPJ TLA 8.73016
62 3EYK EYK 8.97833
63 5GJH SER ASP PTR MET ASN MET THR PRO 9
64 4WQQ MAN 9.21986
65 4EHQ GBL 9.45946
66 6GD6 EVB 10.1852
67 2Z49 AMG 10.4
68 5VRH PLM 10.4
69 5H20 GLC 11.7117
70 3O5N BR0 12.5
71 4P9Z NMI PTR 02K ASN NH2 13.6752
72 2WDQ TEO 15.5039
73 2H88 TEO 17.8571
74 4RJD TFP 21.2121
75 1NU4 MLA 36.0825
76 4OGQ 1O2 37.931
Pocket No.: 2; Query (leader) PDB : 2FXU; Ligand: ATP; Similar sites found with APoc: 149
This union binding pocket(no: 2) in the query (biounit: 2fxu.bio1) has 59 residues
No: Leader PDB Ligand Sequence Similarity
1 2BVE PH5 None
2 5MB4 NDG 1.6
3 6B3V 7DQ 1.6
4 6B3V ANP 1.6
5 5MB4 NAG 1.6
6 4UP4 NAG 1.6
7 4UP4 NDG 1.6
8 4UP4 GAL NAG 1.6
9 4D1J DGJ 1.6
10 6G3R ADP 1.86667
11 5AR0 GB8 1.86667
12 5DQW ADP 1.89573
13 5EYW PGA 2.00803
14 1Z17 ILE 2.03488
15 1TUU AMP 2.13333
16 1TUU PIS 2.13333
17 1TUU ADP 2.13333
18 3TTC ADP 2.13333
19 4TQK NAG 2.13333
20 5JIC ADP 2.1978
21 5JIC N7E 2.1978
22 2V7Y ADP 2.4
23 4ZLU 4PW 2.4
24 4ARU TLA 2.4
25 4ZLU ADP 2.4
26 1SAZ ACP 2.66667
27 4DHY GLC 2.66667
28 5L2R MLA 2.66667
29 1FDJ 13P 2.75482
30 1GVF PGH 2.7972
31 1HSR BHO 2.90698
32 4CP8 MLI 2.93333
33 5XJ7 87O 2.98507
34 2IVN ANP 3.0303
35 3E3U NVC 3.04569
36 3UZO PLP 3.07263
37 2ZQO NGA 3.07692
38 5JOG 6LT 3.11284
39 1RL4 BRR 3.19149
40 3WXL ADP 3.2
41 4IEE AGS 3.2
42 4RYV ZEA 3.22581
43 5GP0 GPP 3.3557
44 3IP6 PRO 3.37079
45 6AYU F6P 3.45821
46 6ASY ATP 3.46667
47 5EXW 7DT 3.46667
48 6EOF ADP 3.46667
49 4YSX MLI 3.5461
50 2FJK 13P 3.60656
51 4RW3 SHV 3.64238
52 4BR5 ANP 3.73333
53 1Y79 LYS TRP 3.73333
54 3GVL SLB SIA 3.73333
55 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 3.80952
56 4DN8 BMA 3.84615
57 2G2Y MLI 3.8961
58 2QXL ATP 4
59 4BGB ADP 4
60 4A59 AMP 4
61 4LBP 1WG 4
62 3AQT RCO 4.08163
63 1TL2 NDG 4.23729
64 4GNI ATP 4.53333
65 5IUY BOG 4.53333
66 2NZU BG6 4.54545
67 5C79 PBU 4.66667
68 1U3G ADP 4.7619
69 3W21 AKG 4.7619
70 6BJO DUY 4.8
71 2D0O ADP 4.8
72 5HV0 AKG 5.06912
73 4PU6 ASP 5.07614
74 1P4V GLY 5.08475
75 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 5.10204
76 4OE4 NAD 5.17241
77 3G6N MET ALA SER 5.2356
78 3LM9 ADP 5.29801
79 3LM9 FRU 5.29801
80 2UYT LRH 5.33333
81 2UYT ADP 5.33333
82 4LHD GLY 5.33333
83 1V1A ADP 5.50162
84 1WD4 AHR 5.6
85 1PFK ADP 5.625
86 1CEB AMH 5.68182
87 4FBL SPD 5.69395
88 4CZG ADP 5.74713
89 4CZG QH3 5.74713
90 1LOB MMA 5.76923
91 3WQT ANP 5.86667
92 2YCH ATP 5.86667
93 1TV5 A26 5.86667
94 4B9Q ATP 6.13333
95 2JK0 ASP 6.15385
96 5EOU ATP 6.1828
97 3L6C MLI 6.19469
98 5FPE 3TR 6.4
99 2BUP ATP 6.4
100 2BUP ADP 6.4
101 5FPN KYD 6.4
102 2Z9V PXM 6.4
103 3BRE C2E 6.70391
104 5NM7 GLY 6.76692
105 1APZ ASP 6.79012
106 3BF1 ADP 6.82731
107 5BSH PRO 6.85921
108 4MO4 ACP 7.00809
109 4A62 ANP 7.1875
110 4JNE ATP 7.2
111 1UTJ ABN 7.43802
112 5X2N ALA 7.55556
113 4A2B AGS 7.73333
114 3VET TOY 7.73333
115 2ATJ BHO 7.79221
116 3KO0 TFP 7.92079
117 1PTR PRB 8
118 2D3M COA 8
119 5HTX ADP 8.53333
120 3VGL ANP 8.72274
121 3IUY AMP 9.21053
122 1WDI CIT 9.27536
123 3KIF GDL 9.43396
124 2E2P ADP 9.699
125 4CSD MFU 9.92647
126 3KP6 SAL 9.93377
127 2Z49 AMG 10.4
128 3LDQ 3P1 10.5263
129 1UUY PPI 10.7784
130 4YDU ADP 10.9705
131 5O6Y 5YA 11.215
132 5JSP DQY 11.4428
133 6F7X MFU 12.2222
134 5OCA 9QZ 13.4921
135 4LFL TG6 13.5802
136 3QFU ADP 13.6
137 5OBU ANP 13.8667
138 1Q6O LG6 13.8889
139 5OBY ANP 13.9037
140 3BER AMP 14.0562
141 2QWO ADP 15.2174
142 5N26 73M 15.3846
143 3IWK NAD 15.4667
144 2W41 ADP 18.6667
145 5C2N NAG 18.75
146 2V5E SCR 21.5
147 4V1F BQ1 23.2558
148 4EHU ANP 24.6377
149 4A2A ATP 37.5
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