Receptor
PDB id Resolution Class Description Source Keywords
3CIP 1.6 Å NON-ENZYME: MOBILE COMPLEX OF DICTYOSTELIUM DISCOIDEUM ACTIN WITH GELSOLIN DICTYOSTELIUM DISCOIDEUM ACTIN GELSOLIN DICTYOSTELIUM DISCOIDEUM ACTIN-ASSOCIATED METHYL HISTIDINE ATP-BINDING CYTOSKELETON NUCLEOTIDE-BINPHOSPHOPROTEIN STRUCTURAL PROTEIN ACTIN CAPPING ACTIN-BIALTERNATIVE INITIATION AMYLOID DISEASE MUTATION SECRETED
Ref.: MODULATION OF ACTIN STRUCTURE AND FUNCTION BY PHOSPHORYLATION OF TYR-53 AND PROFILIN BINDING. PROC.NATL.ACAD.SCI.USA V. 105 11748 2008
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:401;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:402;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
CA G:201;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GOL A:410;
G:202;
G:203;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:403;
A:404;
A:405;
A:406;
A:407;
A:408;
A:409;
G:126;
G:127;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3CIP 1.6 Å NON-ENZYME: MOBILE COMPLEX OF DICTYOSTELIUM DISCOIDEUM ACTIN WITH GELSOLIN DICTYOSTELIUM DISCOIDEUM ACTIN GELSOLIN DICTYOSTELIUM DISCOIDEUM ACTIN-ASSOCIATED METHYL HISTIDINE ATP-BINDING CYTOSKELETON NUCLEOTIDE-BINPHOSPHOPROTEIN STRUCTURAL PROTEIN ACTIN CAPPING ACTIN-BIALTERNATIVE INITIATION AMYLOID DISEASE MUTATION SECRETED
Ref.: MODULATION OF ACTIN STRUCTURE AND FUNCTION BY PHOSPHORYLATION OF TYR-53 AND PROFILIN BINDING. PROC.NATL.ACAD.SCI.USA V. 105 11748 2008
Members (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 61 families.
1 1NMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1ESV - LAR C22 H31 N O5 S C[C@H]/1CC....
3 1EQY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1MDU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 1C0G - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 1NLV - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 3CI5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 3A5L - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3A5M - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 1D4X - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 1DEJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 3A5O - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 1NM1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 3CIP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 1C0F - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 3A5N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (23)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 1NMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1ESV - LAR C22 H31 N O5 S C[C@H]/1CC....
3 1EQY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1MDU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 1C0G - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 1NLV - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 3CI5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 3A5L - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3A5M - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 1D4X - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 1DEJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 3A5O - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 1NM1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 3CIP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 1C0F - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 3A5N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 4CBX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 1T44 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 4CBW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 5MVV - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
21 4CBU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
22 1YAG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
23 1YVN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 1NMD - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 1ESV - LAR C22 H31 N O5 S C[C@H]/1CC....
3 1EQY - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 1MDU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
5 1C0G - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
6 1NLV - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
7 3CI5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
8 3A5L - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
9 3A5M - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
10 1D4X - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
11 1DEJ - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
12 3A5O - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
13 1NM1 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
14 3CIP - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
15 1C0F - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
16 3A5N - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
17 4PKG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
18 4PKH - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
19 4CBX - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
20 1T44 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
21 4CBW - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
22 5MVV - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
23 4CBU - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
24 1YAG - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
25 1YVN - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 404
No: Ligand ECFP6 Tc MDL keys Tc
1 ATP 1 1
2 AQP 0.985507 1
3 5FA 0.985507 1
4 B4P 0.927536 0.971831
5 AP5 0.927536 0.971831
6 BA3 0.913043 0.971831
7 ADP 0.9 1
8 A2D 0.884058 0.971831
9 SAP 0.84 0.945946
10 AGS 0.84 0.945946
11 AN2 0.810811 0.985915
12 25L 0.809524 0.985915
13 APR 0.802632 0.971831
14 AR6 0.802632 0.971831
15 M33 0.8 0.958333
16 TAT 0.794872 0.958904
17 ACQ 0.794872 0.972222
18 AD9 0.792208 0.972222
19 ACP 0.789474 0.972222
20 A 0.788732 0.971429
21 AMP 0.788732 0.971429
22 ANP 0.772152 0.972222
23 ADX 0.753247 0.873418
24 CA0 0.753247 0.945205
25 A22 0.746988 0.985915
26 50T 0.74359 0.958333
27 APC 0.734177 0.958904
28 PRX 0.734177 0.893333
29 ABM 0.733333 0.917808
30 ATF 0.731707 0.958904
31 ITT 0.730769 0.943662
32 7D4 0.730769 0.905405
33 ADQ 0.729412 0.945205
34 AMP MG 0.72 0.891892
35 AP2 0.714286 0.958904
36 A12 0.714286 0.958904
37 A1R 0.709302 0.907895
38 SRA 0.706667 0.918919
39 5AL 0.698795 0.931507
40 OAD 0.693182 0.945205
41 ADP MG 0.6875 0.905405
42 AU1 0.6875 0.972222
43 SRP 0.682353 0.906667
44 G5P 0.680851 0.921053
45 BEF ADP 0.679012 0.881579
46 ADP BEF 0.679012 0.881579
47 25A 0.678161 0.971831
48 3OD 0.677778 0.945205
49 4AD 0.670455 0.92
50 G3A 0.670213 0.921053
51 00A 0.662921 0.883117
52 ADV 0.662651 0.932432
53 ADP PO3 0.662651 0.943662
54 RBY 0.662651 0.932432
55 BIS 0.659341 0.933333
56 5SV 0.659091 0.848101
57 8QN 0.659091 0.931507
58 OOB 0.659091 0.931507
59 GTA 0.65625 0.886076
60 ATP MG 0.654762 0.905405
61 UP5 0.653061 0.92
62 AMO 0.651685 0.932432
63 PAJ 0.651685 0.884615
64 2A5 0.650602 0.918919
65 MAP 0.647727 0.945946
66 3AT 0.647059 0.971831
67 AHX 0.644444 0.896104
68 DLL 0.644444 0.931507
69 PAP 0.642857 0.985714
70 ATR 0.642857 0.971429
71 PTJ 0.641304 0.896104
72 7D3 0.6375 0.905405
73 3UK 0.637363 0.918919
74 SON 0.634146 0.932432
75 A4P 0.633663 0.843373
76 ALF ADP 0.632184 0.87013
77 ADP ALF 0.632184 0.87013
78 LAD 0.630435 0.860759
79 WAQ 0.630435 0.883117
80 PR8 0.630435 0.85
81 AFH 0.628866 0.884615
82 DTP 0.627907 0.905405
83 GAP 0.627907 0.893333
84 ANP MG 0.625 0.894737
85 VO4 ADP 0.625 0.931507
86 ADP VO4 0.625 0.931507
87 1ZZ 0.623656 0.839506
88 TXA 0.623656 0.932432
89 FYA 0.623656 0.905405
90 ME8 0.623656 0.839506
91 NB8 0.623656 0.896104
92 T5A 0.621359 0.841463
93 RAB 0.619718 0.84507
94 ADN 0.619718 0.84507
95 XYA 0.619718 0.84507
96 9SN 0.610526 0.871795
97 48N 0.61 0.896104
98 AP0 0.607843 0.896104
99 FA5 0.604167 0.906667
100 YAP 0.604167 0.894737
101 TXD 0.60396 0.907895
102 6V0 0.60396 0.896104
103 NXX 0.60396 0.932432
104 NAI 0.60396 0.907895
105 DND 0.60396 0.932432
106 NAX 0.60396 0.873418
107 ADP BMA 0.602151 0.918919
108 A2R 0.6 0.985915
109 OMR 0.598039 0.851852
110 TXE 0.598039 0.907895
111 XAH 0.597938 0.839506
112 DAL AMP 0.593407 0.905405
113 7DT 0.593023 0.985714
114 AOC 0.592593 0.821918
115 4UV 0.591837 0.894737
116 DDS 0.590909 0.878378
117 139 0.590476 0.873418
118 CNA 0.584906 0.932432
119 6AD 0.58427 0.909091
120 5AS 0.583333 0.77907
121 5N5 0.581081 0.819444
122 4UU 0.58 0.894737
123 4TC 0.576923 0.896104
124 ADJ 0.575472 0.851852
125 5CD 0.573333 0.805556
126 A4D 0.573333 0.819444
127 RGT 0.571429 0.958904
128 A3P 0.571429 0.971429
129 7D5 0.56962 0.878378
130 LAQ 0.568627 0.839506
131 YLP 0.563107 0.819277
132 A A 0.5625 0.944444
133 UPA 0.561905 0.907895
134 AV2 0.56044 0.917808
135 COD 0.559633 0.811765
136 4UW 0.557692 0.860759
137 JB6 0.556701 0.883117
138 3AM 0.555556 0.929577
139 ATP A A A 0.555556 0.930556
140 A2P 0.552941 0.957143
141 TYM 0.552381 0.906667
142 NA7 0.552083 0.958904
143 EP4 0.551282 0.753247
144 MYR AMP 0.55102 0.817073
145 PPS 0.549451 0.873418
146 YLB 0.54717 0.819277
147 YLC 0.54717 0.839506
148 NAD 0.545455 0.931507
149 DAT 0.545455 0.905405
150 G5A 0.544444 0.77907
151 M2T 0.544304 0.734177
152 DTA 0.544304 0.786667
153 3DH 0.54321 0.773333
154 128 0.542857 0.776471
155 AHZ 0.538462 0.817073
156 SSA 0.537634 0.8
157 GTP 0.537634 0.92
158 MTA 0.5375 0.773333
159 IOT 0.537037 0.831325
160 A3D 0.535714 0.918919
161 TYR AMP 0.534653 0.881579
162 AR6 AR6 0.533981 0.917808
163 7MD 0.533981 0.8625
164 YLA 0.53211 0.819277
165 AMP DBH 0.529412 0.893333
166 IMO 0.529412 0.929577
167 TAD 0.528846 0.884615
168 AYB 0.527273 0.809524
169 A5A 0.526882 0.807229
170 TSB 0.526316 0.819277
171 EAD 0.525424 0.873418
172 2AM 0.52439 0.943662
173 6RE 0.52381 0.759494
174 7DD 0.522727 0.985714
175 V3L 0.521739 0.971831
176 AVV 0.520833 0.896104
177 BTX 0.517857 0.841463
178 NAE 0.517241 0.894737
179 54H 0.515789 0.788235
180 VMS 0.515789 0.788235
181 52H 0.515789 0.77907
182 NSS 0.515464 0.8
183 BT5 0.513274 0.831325
184 NAQ 0.512821 0.871795
185 ZAS 0.511905 0.766234
186 A3N 0.511628 0.786667
187 J7C 0.511628 0.769231
188 5X8 0.511111 0.763158
189 53H 0.510417 0.77907
190 5CA 0.510417 0.8
191 ARU 0.510204 0.860759
192 ARG AMP 0.509434 0.829268
193 AF3 ADP 3PG 0.509259 0.8375
194 LA8 ALF 3PG 0.509259 0.8375
195 ALF ADP 3PG 0.509259 0.8375
196 ZID 0.508475 0.918919
197 P1H 0.508197 0.851852
198 OVE 0.505882 0.905405
199 S4M 0.505747 0.666667
200 LPA AMP 0.504673 0.817073
201 7MC 0.504587 0.841463
202 DZD 0.5 0.884615
203 LSS 0.5 0.761364
204 DSZ 0.5 0.8
205 P5A 0.5 0.744444
206 DSH 0.5 0.725
207 FB0 0.5 0.804598
208 MAO 0.5 0.759036
209 NDE 0.495935 0.932432
210 N0B 0.495798 0.819277
211 M24 0.495726 0.85
212 YLY 0.495726 0.809524
213 NJP 0.495575 0.945946
214 NVA LMS 0.494949 0.761364
215 MGP 0.494737 0.884615
216 6C6 0.494624 0.881579
217 NAJ PZO 0.491379 0.848101
218 0WD 0.491228 0.921053
219 LEU LMS 0.49 0.761364
220 6G0 0.489583 0.884615
221 GJV 0.488636 0.75
222 6FA 0.488189 0.841463
223 5AD 0.486842 0.746479
224 GSU 0.485149 0.77907
225 KAA 0.485149 0.752809
226 71V 0.483146 0.907895
227 NEC 0.482759 0.746667
228 A3G 0.482759 0.8
229 NAD IBO 0.482456 0.87013
230 ODP 0.482456 0.909091
231 FAS 0.48062 0.851852
232 FAD 0.48062 0.851852
233 7D7 0.480519 0.743243
234 FDA 0.480315 0.833333
235 N6P 0.48 0.915493
236 2SA 0.479167 0.932432
237 GP3 0.478723 0.921053
238 4TA 0.478261 0.807229
239 G A A A 0.478261 0.871795
240 SFG 0.478261 0.75
241 NPW 0.477876 0.886076
242 NDP 0.477876 0.921053
243 NDC 0.47619 0.871795
244 YSA 0.47619 0.77907
245 MGO 0.474227 0.860759
246 6IA 0.473684 0.8375
247 TXP 0.473684 0.921053
248 GDP 0.473684 0.92
249 NZQ 0.473684 0.909091
250 A7D 0.472527 0.776316
251 SFD 0.469231 0.734043
252 ZDA 0.468085 0.864865
253 SA8 0.468085 0.707317
254 A5D 0.468085 0.786667
255 12D 0.46789 0.785714
256 PGS 0.467391 0.883117
257 MHZ 0.467391 0.697674
258 62F 0.466165 0.8625
259 DA 0.465909 0.878378
260 D5M 0.465909 0.878378
261 GGZ 0.464646 0.825
262 SAH 0.463158 0.74359
263 SAI 0.463158 0.734177
264 NAJ PYZ 0.46281 0.85
265 FAY 0.462687 0.8625
266 Y3J 0.4625 0.726027
267 PO4 PO4 A A A A PO4 0.460784 0.902778
268 AAM 0.460674 0.971429
269 RFL 0.459259 0.821429
270 SMM 0.459184 0.686047
271 AMZ 0.458824 0.916667
272 C2R 0.458824 0.90411
273 SAM 0.458333 0.690476
274 A3S 0.456522 0.810811
275 FNK 0.455224 0.804598
276 7C5 0.453704 0.818182
277 AAT 0.453608 0.707317
278 EEM 0.453608 0.690476
279 XNP 0.452991 0.873418
280 AIR 0.451219 0.901408
281 62X 0.45098 0.666667
282 GSP 0.45 0.873418
283 ETB 0.45 0.833333
284 DCA 0.45 0.823529
285 U A G G 0.449153 0.883117
286 NIA 0.448276 0.822785
287 AMP NAD 0.447154 0.881579
288 A3T 0.446809 0.821918
289 K15 0.446602 0.682353
290 A A A 0.446602 0.905405
291 PUA 0.446281 0.884615
292 6K6 0.445545 0.930556
293 GEK 0.445545 0.7375
294 4YB 0.445455 0.761364
295 S7M 0.444444 0.690476
296 DG1 0.443548 0.921053
297 1DG 0.443548 0.921053
298 Z5A 0.443548 0.77907
299 COA 0.442623 0.823529
300 0T1 0.442623 0.823529
301 WSA 0.442478 0.788235
302 8BR 0.43956 0.906667
303 101 0.438202 0.878378
304 IDP 0.4375 0.918919
305 NAP 0.435484 0.945205
306 APU 0.434783 0.894737
307 A U 0.434783 0.87013
308 7RP 0.433333 0.928571
309 A6D 0.432692 0.722892
310 CAO 0.432 0.795455
311 AMX 0.432 0.833333
312 COS 0.432 0.804598
313 TAP 0.432 0.907895
314 J7V 0.432 0.833333
315 30N 0.432 0.752688
316 V1N 0.431193 0.917808
317 649 0.429825 0.744444
318 P5F 0.429577 0.823529
319 NA0 0.428571 0.932432
320 CMX 0.428571 0.823529
321 7RA 0.428571 0.957747
322 SCO 0.428571 0.823529
323 0UM 0.427184 0.698795
324 GAV 0.427184 0.884615
325 ACK 0.426966 0.861111
326 1RB 0.426966 0.885714
327 QQY 0.426966 0.815789
328 GCP 0.425743 0.896104
329 G1R 0.425743 0.907895
330 FAM 0.425197 0.804598
331 FCX 0.425197 0.795455
332 ACO 0.425197 0.795455
333 GNH 0.424242 0.907895
334 F2N 0.423611 0.813953
335 GDC 0.422018 0.884615
336 GDD 0.422018 0.884615
337 GKE 0.422018 0.884615
338 HAX 0.421875 0.804598
339 3AD 0.421687 0.805556
340 GNP 0.421569 0.896104
341 FA9 0.42069 0.864198
342 KB1 0.420561 0.698795
343 TM1 0.420561 0.77381
344 H6Y 0.42 0.945205
345 2MC 0.419847 0.769231
346 3KK 0.418605 0.804598
347 FYN 0.418605 0.823529
348 S8M 0.417476 0.759494
349 2VA 0.416667 0.8
350 NHD 0.416667 0.905405
351 26A 0.416667 0.763158
352 QQX 0.41573 0.805195
353 SOP 0.415385 0.804598
354 OXK 0.415385 0.804598
355 COK 0.415385 0.804598
356 MCD 0.415385 0.804598
357 CA6 0.415385 0.729167
358 YE1 0.413534 0.813953
359 FAI 0.413043 0.916667
360 AS 0.413043 0.833333
361 RMB 0.413043 0.873239
362 1VU 0.412214 0.795455
363 CO6 0.412214 0.804598
364 CMC 0.412214 0.804598
365 NMX 0.412214 0.76087
366 SXZ 0.411215 0.710843
367 ANZ 0.410714 0.8
368 SCA 0.410448 0.804598
369 PLP AAD 0.409836 0.741573
370 SCD 0.409091 0.823529
371 CAJ 0.409091 0.804598
372 NAD BBN 0.408759 0.841463
373 NVA 2AD 0.408163 0.74359
374 D3Y 0.407767 0.789474
375 CC5 0.407407 0.816901
376 U G A 0.407407 0.839506
377 KH3 0.40708 0.674419
378 SLU 0.406504 0.770115
379 G 0.40625 0.906667
380 5GP 0.40625 0.906667
381 BCO 0.406015 0.804598
382 IVC 0.406015 0.813953
383 A1S 0.406015 0.804598
384 MLC 0.406015 0.804598
385 3HC 0.406015 0.813953
386 1HE 0.406015 0.786517
387 GTG 0.405405 0.886076
388 NMN AMP PO4 0.404959 0.87013
389 3D1 0.404762 0.773333
390 3L1 0.404762 0.773333
391 CMP 0.404255 0.901408
392 2BA 0.404255 0.915493
393 SO8 0.40404 0.789474
394 VRT 0.40404 0.769231
395 MCA 0.402985 0.795455
396 CAA 0.402985 0.813953
397 COO 0.402985 0.804598
398 NAD CJ3 0.402878 0.811765
399 G2R 0.401869 0.884615
400 3NZ 0.401869 0.782051
401 ZZB 0.4 0.77381
402 MC4 0.4 0.76087
403 2FA 0.4 0.813333
404 2CP 0.4 0.795455
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3CIP; Ligand: ATP; Similar sites found: 57
This union binding pocket(no: 1) in the query (biounit: 3cip.bio1) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3LL5 IP8 0.01808 0.4343 2.40964
2 2ZL4 ALA ALA ALA ALA 0.03985 0.41568 3.06122
3 2Z9I GLY ALA THR VAL 0.01035 0.44812 3.39506
4 4BR5 ANP 0.0008161 0.4301 3.73333
5 1TUU AMP 0.00436 0.4637 3.90625
6 5AR0 GB8 0.0000004986 0.43928 3.90625
7 1TUU ADP 0.02038 0.4319 3.90625
8 1TUU PIS 0.01022 0.42787 3.90625
9 1V6A TRE 0.02667 0.42635 3.90625
10 1RL4 BL5 0.002278 0.41301 3.90625
11 1M2Z BOG 0.0009202 0.5255 4.28016
12 2BES RES 0.031 0.41051 4.65116
13 3QFU ADP 0.0000001542 0.42698 4.6875
14 4RW3 PLM 0.03842 0.42154 4.6875
15 5F1X ATP 0.00000003755 0.50345 4.8
16 3TDC 0EU 0.0002043 0.60406 6.25
17 3LM9 ADP 0.00006502 0.54779 6.25
18 2UYT LRH 0.0002803 0.45664 6.25
19 2UYT ADP 0.0002803 0.45664 6.25
20 3LM9 FRU 0.002158 0.43577 6.25
21 4GNI ATP 0.0000002601 0.41898 6.25
22 1M0S CIT 0.04236 0.41038 6.25
23 4OAS 2SW 0.03496 0.40453 6.25
24 4A62 ANP 0.000003432 0.42319 6.875
25 1TV5 N8E 0.03586 0.42879 6.93333
26 4JNE ATP 0.00000004959 0.47381 7.03125
27 4A2B AGS 0.0000002956 0.44687 7.03125
28 4A2A ATP 0.0000001475 0.44646 7.03125
29 4B9Q ATP 0.0000004644 0.43529 7.03125
30 2V7Y ADP 0.0000001066 0.43045 7.03125
31 5EOU ATP 0.00000003121 0.4686 7.8125
32 3WQT ANP 0.00000004294 0.46634 7.8125
33 3BF1 ADP 0.01092 0.41082 7.8125
34 4IV9 TSR 0.03569 0.40629 8
35 2IVN ANP 0.0008997 0.44877 8.26667
36 3GDQ ADP 0.00000004183 0.58696 8.59375
37 5KDX GAL TNR 0.04574 0.41011 8.8
38 2JAC GSH 0.04129 0.41564 9.09091
39 1GEG GLC 0.01056 0.45018 9.375
40 2QXL ATP 0.000000005707 0.7066 10.1562
41 2YCH ATP 0.0000001347 0.62917 10.9375
42 4CZG QH3 0.00000005895 0.51927 10.9375
43 4CZG ADP 0.00000004279 0.51927 10.9375
44 4UCC ZKW 0.009493 0.46113 10.9375
45 2BUP ATP 0.0000001461 0.45817 10.9375
46 2BUP ADP 0.0000001461 0.45817 10.9375
47 3LDQ 3P1 0.000007777 0.40247 10.9375
48 4KBA 1QM 0.03206 0.41698 14.0625
49 1PVS 7HP 0.04986 0.40503 14.0625
50 4ZLU 4PW 0.0001898 0.41195 14.8438
51 4ZLU ADP 0.0001898 0.41195 14.8438
52 4UP4 NDG 0.01031 0.45079 17.1875
53 4UP4 NAG 0.01031 0.45079 17.1875
54 2QWO ADP 0.00000004039 0.6454 20.6522
55 4MG8 27J 0.01011 0.43176 30.4688
56 4MGD 27N 0.03311 0.40573 30.4688
57 4EHU ANP 0.0000006949 0.44681 30.7971
Pocket No.: 2; Query (leader) PDB : 3CIP; Ligand: ATP; Similar sites found: 124
This union binding pocket(no: 2) in the query (biounit: 3cip.bio2) has 43 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3UEC ALA ARG TPO LYS 0.01671 0.43434 2.05479
2 1GEE NAD 0.0004717 0.41252 2.29885
3 1M9H NAD 0.002239 0.40047 2.34375
4 1MXI SAH 0.0004501 0.4526 2.5
5 1I0Z NAI 0.000211 0.426 2.7027
6 1I0Z OXM 0.04472 0.42362 2.7027
7 1RM4 NDP 0.0002137 0.40773 2.96736
8 4KOA NDP 0.004198 0.41974 3.003
9 1IIM TTP 0.0001694 0.40812 3.08219
10 1WDA BAG 0.002256 0.45323 3.125
11 3QV9 QV7 0.00126 0.47657 3.2
12 1ZK4 AC0 0.0003776 0.41298 3.58566
13 1ZK4 NAP 0.0003776 0.41298 3.58566
14 3SHR CMP 0.0008619 0.46599 3.90625
15 4L1F COS 0.001069 0.42338 3.90625
16 1C1L GAL BGC 0.03835 0.41602 3.90625
17 1SS4 CIT 0.00007017 0.53623 3.92157
18 1SS4 GSH 0.003928 0.49766 3.92157
19 3WQM B29 0.003765 0.40166 3.98671
20 4Q0A 4OA 0.006477 0.40898 4.30464
21 3CXQ GLP 0.0244 0.41598 4.34783
22 1SJD NPG 0.002918 0.40538 4.61957
23 4JWX 1N4 0.004772 0.44394 4.64286
24 3LTW HLZ 0.004362 0.45722 4.6875
25 1SQ5 ADP 0.00108 0.45655 4.6875
26 1SQ5 PAU 0.01427 0.42222 4.6875
27 1I2L DCS 0.003032 0.4178 4.6875
28 4Q3S X7A 0.001946 0.4082 4.6875
29 2I3G NAP 0.000685 0.40497 4.6875
30 4M4Q 21A 0.003038 0.40479 4.6875
31 1NYT NAP 0.0006293 0.42428 4.79705
32 3BY8 MLT 0.02023 0.43014 4.92958
33 1Y9Q MED 0.0174 0.42798 5.20833
34 1ULE GLA GAL NAG 0.01586 0.44157 5.33333
35 1Q11 TYE 0.001665 0.46477 5.46875
36 2BH9 NAP 0.002818 0.43045 5.46875
37 1TDF NAP 0.00007695 0.42721 5.46875
38 3MAG SAH 0.00369 0.41466 5.46875
39 1ONX ASP 0.00105 0.41384 5.46875
40 1TDF FAD 0.00005044 0.41268 5.46875
41 1Z44 FMN 0.01626 0.40366 5.46875
42 2O4J VD4 0.002389 0.40238 5.47945
43 2Z9V PXM 0.003649 0.44925 5.6
44 1M5B BN1 0.0001412 0.41056 5.70342
45 1VDC FAD 0.00005972 0.412 5.70571
46 3OCZ SRA 0.01057 0.40423 5.72519
47 3VD8 MTT 0.03268 0.4017 5.86667
48 2QV7 ADP 0.0001122 0.48585 5.93472
49 4F8L GAL 0.01351 0.46842 6.2069
50 2F2U M77 0.007273 0.42621 6.25
51 3CF6 SP1 0.006893 0.41505 6.25
52 1SJW NGV 0.008933 0.41057 6.25
53 3B1J NAD 0.001465 0.40067 6.25
54 3I8P 840 0.0006862 0.45474 6.32318
55 2QQ0 ADP 0.000439 0.41344 6.52174
56 2QQ0 TMP 0.000439 0.41344 6.52174
57 1HDR NAD 0.00009888 0.4077 6.55738
58 3S9K CIT 0.004435 0.49934 6.77966
59 3ZPG 5GP 0.03868 0.4271 6.80628
60 2QTR NXX 0.0008699 0.40468 6.87831
61 4DYO SD4 0.002092 0.45467 6.93333
62 2C5S AMP 0.001823 0.45732 7.03125
63 3PLN U5P 0.00532 0.44179 7.03125
64 2PP3 LGT 0.002641 0.43583 7.03125
65 1EYE PMM 0.01064 0.41502 7.03125
66 1T26 GBD 0.001326 0.40495 7.03125
67 1T26 NAI 0.001326 0.40495 7.03125
68 3Q9T FAY 0.00003382 0.40451 7.03125
69 2O2C G6Q 0.003716 0.42569 7.2
70 3DGB MUC 0.00319 0.43691 7.8125
71 2PR5 FMN 0.001853 0.42947 7.8125
72 1QD0 RR6 0.006875 0.42297 7.8125
73 3A1I UNU 0.009322 0.42156 7.8125
74 1HKU NAD 0.0004735 0.41247 7.8125
75 1FW1 GSH 0.01593 0.40402 7.8125
76 2B5W NAP 0.0003227 0.40601 7.84314
77 4F4S EFO 0.01478 0.42152 7.89474
78 1DBT U5P 0.004105 0.41645 7.94979
79 2IYG FMN 0.003491 0.43527 8.06452
80 3KJQ B94 0.01083 0.41469 8.53659
81 4OYA 1VE 0.0006565 0.41552 8.59375
82 2JGS BTN 0.03357 0.40722 9.23077
83 3KMT SAH 0.004849 0.42509 9.2437
84 4COQ SAN 0.002683 0.46747 9.375
85 1O9U ADZ 0.009276 0.46094 9.375
86 1G8S MET 0.01832 0.42689 9.375
87 3IPQ 965 0.000649 0.41131 9.375
88 3A2Y TS5 0.0004827 0.456 9.64467
89 1YRX FMN 0.006904 0.41884 9.91736
90 3NFZ 3NF 0.01613 0.40744 10.0917
91 1PEA ACM 0.01367 0.44495 10.1562
92 1O0S NAI 0.001442 0.41893 10.1562
93 1UF5 CDT 0.01201 0.41681 10.1562
94 1T0S BML 0.00202 0.48824 10.4651
95 1B63 ANP 0.004528 0.40493 10.8108
96 4RJK PYR 0.02084 0.43534 10.9375
97 4RJK TDL 0.0006178 0.41196 10.9375
98 1Y42 TYR 0.00287 0.454 11.7188
99 1F1V DHY 0.00901 0.42662 11.7188
100 1N9L FMN 0.001027 0.43911 11.9266
101 4IXW IXW 0.005746 0.43528 12.2047
102 1YOA FMN 0.000479 0.55398 12.5
103 1YOA FAD 0.002936 0.41153 12.5
104 1LTH NAD 0.0002374 0.40656 12.5
105 4DEM YS4 0.001209 0.40057 12.5
106 3P3N AKG 0.0008516 0.49163 13.2812
107 1RZM PEP 0.002362 0.45785 13.2812
108 1RZM E4P 0.00618 0.45612 13.2812
109 3FC4 EDO 0.0001057 0.41096 13.2812
110 2WA4 069 0.01607 0.4075 13.2812
111 2E1A MSE 0.002942 0.44814 13.3333
112 3RF4 FUN 0.002409 0.45746 13.7931
113 1I2B USQ 0.001243 0.41585 14.8438
114 1I2B NAD 0.001243 0.41585 14.8438
115 1I2B UPG 0.001243 0.41585 14.8438
116 2Q37 3AL 0.00273 0.46082 15.4696
117 2QCX PF1 0.001235 0.47698 15.625
118 4PNI KQQ 0.003238 0.40386 15.625
119 3F81 STT 0.03278 0.43105 16.3934
120 4LHM AZZ 0.00422 0.45193 16.4062
121 4P4T GDP 0.002205 0.42662 16.4062
122 2RHQ GAX 0.000955 0.42863 16.8
123 2Y7P SAL 0.002004 0.4611 19.5312
124 2V5E SCR 0.0001444 0.57085 24
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