Receptor
PDB id Resolution Class Description Source Keywords
2Q97 2.5 Å NON-ENZYME: MOBILE COMPLEX OF MAMMALIAN ACTIN WITH TOXOFILIN FROM TOXOPLASMA GO ORYCTOLAGUS CUNICULUS STRUCTURAL PROTEIN STRUCTURAL PROTEIN-CELL INVASION COMPLEX
Ref.: TOXOFILIN FROM TOXOPLASMA GONDII FORMS A TERNARY CO WITH AN ANTIPARALLEL ACTIN DIMER PROC.NATL.ACAD.SCI.USA V. 104 16122 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:1001;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
CA A:1002;
Invalid;
none;
submit data
40.078 Ca [Ca+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2Q97 2.5 Å NON-ENZYME: MOBILE COMPLEX OF MAMMALIAN ACTIN WITH TOXOFILIN FROM TOXOPLASMA GO ORYCTOLAGUS CUNICULUS STRUCTURAL PROTEIN STRUCTURAL PROTEIN-CELL INVASION COMPLEX
Ref.: TOXOFILIN FROM TOXOPLASMA GONDII FORMS A TERNARY CO WITH AN ANTIPARALLEL ACTIN DIMER PROC.NATL.ACAD.SCI.USA V. 104 16122 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 61 families.
1 2Q97 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 55 families.
1 2Q97 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 39 families.
1 2Q97 - 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 : 2Q97; Ligand: ATP; Similar sites found: 472
This union binding pocket(no: 1) in the query (biounit: 2q97.bio2) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2ALG DAO 0.0006498 0.4115 None
2 2ALG HP6 0.0006498 0.4115 None
3 1O68 KIV 0.001597 0.44005 0.727273
4 1KTC NGA 0.003059 0.42815 1.33333
5 1IYE PGU 0.002016 0.40449 1.61812
6 3E5H GNP 0.0003008 0.40775 1.68539
7 9LDB OXM 0.01157 0.4409 1.80723
8 9LDT OXM 0.02951 0.41917 1.80723
9 3CL5 SIO 0.00963 0.42351 1.86667
10 2WE5 ADP 0.001056 0.42587 1.93548
11 1Z44 NPO 0.01167 0.44957 2.07101
12 1Z42 HBA 0.0237 0.4362 2.07101
13 1Z42 FMN 0.003983 0.40868 2.07101
14 1Z44 FMN 0.004126 0.40379 2.07101
15 3W54 RNB 0.002984 0.40904 2.12766
16 2ZO9 MLI 0.005993 0.404 2.18978
17 1GEE NAD 0.00004834 0.40316 2.29885
18 4CCO OGA 0.004017 0.42316 2.32558
19 2ZE3 AKG 0.0009637 0.45576 2.54545
20 3K56 IS3 0.00201 0.41544 2.63158
21 3WCS MAN NAG 0.0009123 0.45029 2.75591
22 3WCS MAN NAG GAL 0.000777 0.44133 2.75591
23 1R6W 164 0.001435 0.41636 2.79503
24 3LL5 IP8 0.01141 0.41857 2.81124
25 2YD6 FLC 0.0001067 0.56538 2.83019
26 3K3K A8S 0.001798 0.40078 2.8436
27 4M5P MLA 0.01215 0.43977 2.93333
28 3FKQ ATP 0.001768 0.40886 2.93333
29 4M5P 23W 0.03884 0.40022 2.93333
30 1KNM LAT 0.02266 0.43076 3.07692
31 2V7Y ADP 0.00000001469 0.66241 3.10078
32 2IUW AKG 0.00693 0.40828 3.10078
33 1YOA FMN 0.03753 0.42108 3.14465
34 2IVN ANP 0.0003121 0.43377 3.33333
35 2HFK E4H 0.004134 0.42263 3.44828
36 4A3X LAT 0.03249 0.41014 3.52423
37 2JBH 5GP 0.006812 0.40858 3.55556
38 1YHM AHD 0.005266 0.42361 3.59116
39 4FGC PQ0 0.005468 0.4229 3.63636
40 1C1L GAL BGC 0.00711 0.42969 3.64964
41 1B5E DCM 0.00411 0.41755 3.65854
42 3WUD GLC GAL 0.01816 0.4165 3.67647
43 2WCI GSH 0.002156 0.44052 3.7037
44 2QLX RM4 0.01866 0.40997 3.7037
45 1DXY COI 0.006356 0.44632 3.87597
46 3CQ5 PMP 0.0009258 0.44398 3.87597
47 1XHL NDP 0.0001748 0.44142 3.87597
48 3O03 GCO 0.012 0.43227 3.87597
49 3WKX FUB 0.02101 0.4022 3.87597
50 1P72 THM 0.01325 0.40125 3.87597
51 3D2Y AH0 ALA FGA LYS 0.002388 0.40037 3.87597
52 3TN7 NJP 0.00005535 0.40228 3.89105
53 2G2Y MLI 0.00837 0.42971 3.8961
54 4A59 AMP 0.00602 0.40503 4
55 1GU3 BGC BGC BGC BGC BGC 0.008119 0.41025 4.02685
56 4NC7 I3C 0.01579 0.4134 4.0404
57 4R3L COA 0.000137 0.4506 4.04624
58 3TW1 AHN 0.007404 0.43474 4.21941
59 3S9K CIT 0.00001263 0.62829 4.23729
60 1TL2 NDG 0.01688 0.41434 4.23729
61 2ZSC BTN 0.004847 0.40118 4.25532
62 2C2A ADP 0.002186 0.40561 4.26357
63 4C2G ALA ALA ALA ALA 0.0001732 0.47366 4.26667
64 1HQL GLA MBG 0.000058 0.52745 4.28016
65 4K30 NLG 0.01192 0.40319 4.375
66 3ACC 5GP 0.001042 0.44188 4.41989
67 1Y7P RIP 0.004034 0.44841 4.4843
68 2EB5 OXL 0.02154 0.40802 4.49438
69 2ZJ3 G6P 0.0002525 0.41357 4.53333
70 3SCH TB6 0.01323 0.41134 4.54545
71 3I9U DTU 0.01877 0.43744 4.56274
72 4JWX 1N4 0.002085 0.43517 4.64286
73 4BGB ADP 0.0005956 0.47716 4.65116
74 1I0Z OXM 0.001639 0.47619 4.65116
75 2ZJ5 ADP 0.0005818 0.46531 4.65116
76 3I7S PYR 0.002453 0.45893 4.65116
77 4RJK PYR 0.002606 0.45766 4.65116
78 1CKN GTP 0.0007748 0.44713 4.65116
79 1VE3 SAM 0.0001228 0.44455 4.65116
80 1RYD GLC 0.002486 0.44418 4.65116
81 3RGG AIR 0.001313 0.43232 4.65116
82 3L6R MLI 0.007699 0.42807 4.65116
83 4COQ SAN 0.008573 0.41988 4.65116
84 1V6A TRE 0.007595 0.41666 4.65116
85 4U9W COA 0.001499 0.41138 4.65116
86 3MD0 GDP 0.006393 0.40971 4.65116
87 4LSJ LSJ 0.0008875 0.4071 4.65116
88 4K7O EKZ 0.00522 0.43599 4.7619
89 4EXO PYR 0.01269 0.42413 4.79452
90 3BY8 MLT 0.0002001 0.50229 4.92958
91 1YRX FMN 0.003979 0.40438 4.95868
92 3GM5 CIT 0.01827 0.40496 5.03145
93 1Y75 NAG 0.00468 0.41525 5.08475
94 1O5E 132 0.03357 0.4094 5.09804
95 1FP2 HMO 0.002174 0.40982 5.11364
96 2VDF OCT 0.01015 0.40769 5.13834
97 3ENG CBI 0.01689 0.40589 5.16432
98 3EW2 BTN 0.001464 0.43585 5.18518
99 4USS GSH 0.00588 0.41617 5.23077
100 3LM9 ADP 0.0001311 0.50302 5.29801
101 3LM9 FRU 0.002861 0.40132 5.29801
102 1RYI GOA 0.0009788 0.51482 5.33333
103 2UYT ADP 0.00005685 0.43818 5.33333
104 3A2Q ACA ACA 0.002446 0.40389 5.33333
105 1M1B SPV 0.005587 0.42249 5.42373
106 4GNI ATP 0.00000002005 0.66551 5.42636
107 3UBW 6SP 0.0002957 0.55555 5.42636
108 1B74 DGN 0.000939 0.47922 5.42636
109 3B8I OXL 0.006585 0.45392 5.42636
110 1UJ5 5RP 0.0003536 0.44904 5.42636
111 1RQH PYR 0.003165 0.44617 5.42636
112 1WTC ACP 0.005081 0.43654 5.42636
113 3WXL ADP 0.009265 0.4363 5.42636
114 1EYE PMM 0.001466 0.42535 5.42636
115 3I51 45C 0.001479 0.42519 5.42636
116 2VDJ HSE 0.01364 0.42259 5.42636
117 2Q09 DI6 0.004573 0.41566 5.42636
118 1TDF NAP 0.02398 0.41247 5.42636
119 1F74 NAY 0.00218 0.40978 5.42636
120 3GJB AKG 0.006627 0.40907 5.42636
121 2OZE AGS 0.001346 0.40891 5.42636
122 3FED BIX 0.002334 0.40461 5.42636
123 2BLE 5GP 0.003971 0.41935 5.44959
124 3UIE ADX 0.0006856 0.43285 5.5
125 3UIE ANP 0.00455 0.41096 5.5
126 1ECM TSA 0.0006503 0.45023 5.50459
127 1Q3P GLU ALA GLN THR ARG LEU 0.008255 0.40517 5.50459
128 1ZED PNP 0.01546 0.41383 5.6
129 1A5V Y3 0.009514 0.41238 5.6962
130 1Y9Q MED 0.01602 0.40756 5.72917
131 4CZG ADP 0.000000006209 0.53267 5.74713
132 4CZG QH3 0.000000006945 0.52392 5.74713
133 4W6Z ETF 0.01423 0.4285 5.76369
134 1LOB MMA 0.01742 0.40929 5.76923
135 4A6F SEP 0.007128 0.45209 5.83333
136 2W8Q SIN 0.009688 0.42338 5.86667
137 4IXW IXW 0.01092 0.4002 5.90551
138 2FOI JPA 0.006997 0.40355 5.94796
139 4AIG FLX 0.003094 0.41759 5.97015
140 4Q3F TLA 0.02166 0.4016 5.98291
141 2WOR 2AN 0.006758 0.42456 6
142 3CBG 4FE 0.002021 0.48113 6.03448
143 1QH9 LAC 0.001264 0.45744 6.03448
144 3CBG FER 0.01125 0.4337 6.03448
145 3CBG SAH 0.00133 0.41322 6.03448
146 3H22 B53 0.001344 0.43191 6.06061
147 3E81 SLB 0.002904 0.43488 6.09756
148 4LXH C1E 0.002479 0.40368 6.13718
149 1ZGA HMK 0.003894 0.40905 6.16247
150 3L6C MLI 0.03271 0.40136 6.19469
151 3WQT ANP 0.000000004572 0.65844 6.20155
152 4B9Q ATP 0.000000005342 0.6556 6.20155
153 1Y1A GSH 0.001683 0.50619 6.20155
154 1I1Q TRP 0.0006251 0.45094 6.20155
155 1OIK AKG 0.002145 0.44707 6.20155
156 2NVK NAP 0.001179 0.4456 6.20155
157 1UAY ADN 0.0008727 0.42895 6.20155
158 1UBY DMA 0.0004787 0.42885 6.20155
159 1T8U A3P 0.0005206 0.41874 6.20155
160 3OZG SSI 0.001392 0.41684 6.20155
161 1TV5 A26 0.0003787 0.41508 6.20155
162 1WRA PC 0.01545 0.41384 6.20155
163 3CF6 SP1 0.001736 0.41336 6.20155
164 3BLI PYR 0.0163 0.41274 6.20155
165 3TFC PEP 0.008011 0.4105 6.20155
166 1FBL HTA 0.005071 0.40909 6.20155
167 3MCT SAH 0.000815 0.4083 6.20155
168 3K5X P8D 0.005404 0.40799 6.20155
169 4DFU QUE 0.0233 0.40705 6.20155
170 1SAZ ACP 0.01111 0.407 6.20155
171 3SHR CMP 0.006198 0.40563 6.20155
172 3VPQ GSH 0.01422 0.40474 6.20155
173 2Z9V PXM 0.001594 0.44008 6.4
174 3K3G MMU 0.005252 0.4209 6.47059
175 2HVK TBA 0.01673 0.40671 6.60377
176 1JAC AMG 0.003397 0.46917 6.76692
177 2FR6 CTN 0.0007765 0.4171 6.84932
178 1TH8 ADP 0.002851 0.419 6.89655
179 2UZ2 BTN 0.0007687 0.42618 6.92308
180 5F1X ATP 0.00009332 0.48111 6.97674
181 4KCT PYR 0.0001983 0.47127 6.97674
182 3BK2 U5P 0.00009984 0.47011 6.97674
183 3UEC ALA ARG TPO LYS 0.001244 0.46517 6.97674
184 2QGI UDP 0.001081 0.45359 6.97674
185 2IZ1 ATR 0.002122 0.44729 6.97674
186 2GWD GLU 0.001014 0.44237 6.97674
187 4IHQ ADP 0.001069 0.44144 6.97674
188 1SOW OXL 0.01138 0.43345 6.97674
189 2CE7 ADP 0.0009331 0.42787 6.97674
190 4HZO COA 0.003797 0.42419 6.97674
191 4KCT FDP 0.001572 0.42418 6.97674
192 1R37 ETX 0.01036 0.41615 6.97674
193 4LO6 SIA GAL 0.01624 0.41578 6.97674
194 4AMV F6R 0.006438 0.41424 6.97674
195 3G2Y GF4 0.04107 0.40833 6.97674
196 1Z45 GAL 0.01094 0.40477 6.97674
197 3QUR ADP 0.00005315 0.40307 6.97674
198 3QUR FM4 0.00005315 0.40307 6.97674
199 4MO4 ACP 0.006815 0.40683 7.00809
200 1QD0 RR6 0.0005837 0.44069 7.03125
201 2XBP ATP 0.006197 0.4033 7.07965
202 4A62 ANP 0.0000005509 0.56481 7.1875
203 4JNE ATP 0.00000000698 0.64876 7.2
204 2D0O ADP 0.000001654 0.5857 7.2
205 2Y7P SAL 0.0002047 0.47763 7.33945
206 1H8P PC 0.008488 0.43993 7.33945
207 2QV7 ADP 0.002414 0.40817 7.4184
208 1ZJ6 G3D 0.004941 0.40508 7.48663
209 3KMT SAH 0.00225 0.41362 7.56302
210 1JN2 SFP 0.005876 0.4656 7.59494
211 2BZ1 TAU 0.01885 0.43792 7.65306
212 1LYX PGA 0.0004217 0.44072 7.66129
213 1CBF SAH 0.0006365 0.42915 7.7193
214 3FPZ AHZ 0.0002509 0.47527 7.75194
215 4ME6 ADP 0.001082 0.45358 7.75194
216 3KYF 5GP 5GP 0.0009187 0.43845 7.75194
217 3QV9 QV7 0.003054 0.43393 7.75194
218 3IP5 ALA 0.008632 0.43204 7.75194
219 3OBT SLB 0.01113 0.42981 7.75194
220 2QCX PF1 0.004668 0.42589 7.75194
221 1PEA ACM 0.01261 0.42425 7.75194
222 1GJW GLC 0.009529 0.42372 7.75194
223 1C3V PDC 0.005235 0.42372 7.75194
224 4FMS BDP 0.04749 0.41529 7.75194
225 3JQ3 ADP 0.003553 0.41521 7.75194
226 1TRD PGH 0.003145 0.41262 7.75194
227 4JEJ 1GP 0.003264 0.41199 7.75194
228 3ZEU ADP 0.02126 0.41015 7.75194
229 3ZEU AGS 0.01612 0.41014 7.75194
230 5EQU AKG 0.0271 0.40795 7.75194
231 4LO2 GAL BGC 0.04935 0.40791 7.75194
232 3VHZ L2P GLC MAN SGA 0.01385 0.4034 7.75194
233 1R5A GTS 0.00996 0.40183 7.75194
234 2YLD CMO 0.001573 0.45315 7.87402
235 1UCN ADP 0.0005845 0.43543 7.89474
236 3KO0 TFP 0.02355 0.4074 7.92079
237 2BOI MFU 0.001467 0.4416 7.9646
238 4OWK NGA 0.04601 0.41366 7.97101
239 1PTR PRB 0.003089 0.44667 8
240 1ULE GLA GAL NAG 0.01132 0.42655 8
241 4DYO SD4 0.004437 0.41619 8
242 3T2W BTN 0.003772 0.41418 8.19672
243 1E1O LYS 0.0002575 0.40578 8.26667
244 3JQM GTP 0.006928 0.40828 8.28025
245 4JP3 CIT 0.001913 0.42091 8.3682
246 3PMD 11A 0.005749 0.40693 8.49673
247 4N7C AEF 0.00176 0.45811 8.52273
248 2BUP ATP 0.000000005493 0.63376 8.52713
249 5FPE 3TR 0.0001009 0.53179 8.52713
250 2BUP ADP 0.00002459 0.52978 8.52713
251 5EOU ATP 0.0001877 0.4991 8.52713
252 3UDG TMP 0.002467 0.46718 8.52713
253 1P9B HDA 0.0005286 0.46712 8.52713
254 1PX8 XYP 0.002164 0.44046 8.52713
255 3GDQ ADP 0.0005912 0.43783 8.52713
256 4BI7 PGA 0.001368 0.43707 8.52713
257 4M2K PLP 0.001419 0.43641 8.52713
258 1WHT BZS 0.004418 0.4329 8.52713
259 4C1K PEP 0.003969 0.42338 8.52713
260 1E5F PLP 0.0009508 0.42283 8.52713
261 1O9U ADZ 0.02121 0.41964 8.52713
262 3W8S GSH 0.006523 0.41955 8.52713
263 1Y7I SAL 0.00542 0.41767 8.52713
264 3LTW HLZ 0.01026 0.41635 8.52713
265 4E28 9MZ 0.01275 0.41207 8.52713
266 3UWB BB2 0.01636 0.40715 8.52713
267 2O2C G6Q 0.002591 0.40706 8.52713
268 3ZGE ASP 0.03008 0.40571 8.52713
269 4NAO AKG 0.02779 0.40179 8.52713
270 1Y42 TYR 0.01295 0.40166 8.52713
271 4E28 0MZ 0.01786 0.40039 8.52713
272 5HTX ADP 0.03524 0.41502 8.53333
273 3VGL ANP 0.000669 0.45916 8.72274
274 3I6B KDO 0.002035 0.43561 8.88889
275 2CW6 3HG 0.02532 0.4157 9.0604
276 3QDT A2G GAL 0.0005142 0.49195 9.09091
277 3QDW A2G 0.000888 0.48968 9.09091
278 3QDY A2G GAL 0.0005824 0.48931 9.09091
279 3QDV A2G 0.004561 0.45364 9.09091
280 3QDV NDG 0.00613 0.43956 9.09091
281 3QDY CBS 0.02454 0.40435 9.09091
282 3QDW NDG 0.02547 0.40359 9.09091
283 3KJQ B94 0.0004866 0.44372 9.14634
284 4F4S EFO 0.001237 0.44473 9.21053
285 2YCH ATP 0.00000003268 0.61523 9.30233
286 1JGS SAL 0.0002883 0.53892 9.30233
287 4WBD CIT 0.0007912 0.48284 9.30233
288 4B16 NAG 0.004422 0.4631 9.30233
289 4O8A 2OP 0.003148 0.46181 9.30233
290 2D5X L35 0.001222 0.45127 9.30233
291 1GPJ CIT 0.001853 0.44995 9.30233
292 1NF8 BOG 0.003814 0.44238 9.30233
293 4QVH FLC 0.01882 0.43986 9.30233
294 3NFZ 3NF 0.001044 0.43101 9.30233
295 4WBD ADP 0.00674 0.43078 9.30233
296 1XX4 BAM 0.01688 0.42472 9.30233
297 2C31 TZD 0.004482 0.42457 9.30233
298 5T0A A3P 0.001885 0.42359 9.30233
299 1NOW IFG 0.008696 0.41409 9.30233
300 1Z17 ILE 0.01912 0.41329 9.30233
301 1SQ5 PAU 0.007269 0.41228 9.30233
302 4WVH ASP HIS ASP ALA HIS ALA 0.006415 0.40965 9.30233
303 1E4E PHY 0.002535 0.40741 9.30233
304 3BL6 FMC 0.001663 0.40575 9.30233
305 1SQ5 ADP 0.004959 0.40502 9.30233
306 3RK0 AMP 0.00519 0.40425 9.30233
307 1EYQ NAR 0.008707 0.40422 9.30233
308 2HGS GSH 0.004597 0.40204 9.30233
309 3DG6 MUC 0.002623 0.41114 9.53679
310 2Q8H TF4 0.003694 0.45829 9.6
311 2BO4 FLC 0.009448 0.42389 9.6
312 4BCS BTN 0.002058 0.41069 9.6
313 3CH5 GDP 0.001675 0.42312 9.61539
314 2E2P ADP 0.002599 0.43652 9.699
315 3SJ0 DXC 0.0124 0.41835 9.85915
316 2VQ5 LDP 0.001915 0.47276 9.95025
317 2VQ5 HBA 0.02015 0.4084 9.95025
318 1ZS6 ADP 0.004814 0.41475 10.0592
319 4A2B AGS 0.0000009939 0.56045 10.0775
320 3VPD BUA 0.004673 0.47874 10.0775
321 3VPD CIT 0.004736 0.46152 10.0775
322 3NNF AKG 0.003866 0.43552 10.0775
323 1T3D CYS 0.0055 0.43492 10.0775
324 3I0O ADP 0.001587 0.42906 10.0775
325 2GMM MAN MAN 0.01497 0.41932 10.0775
326 3I0O SMI 0.008117 0.4154 10.0775
327 1RL4 BRR 0.01933 0.41129 10.0775
328 3V1U NAD 0.0001751 0.4103 10.0775
329 4BT5 23B 0.008583 0.40447 10.0775
330 2FJK 13P 0.01904 0.40332 10.0775
331 4C01 QY9 0.02782 0.40269 10.0775
332 2WCV FUC 0.01022 0.40137 10.0775
333 1QO0 BMD 0.0132 0.41138 10.2041
334 1V7R CIT 0.01759 0.43121 10.2151
335 1AX2 NDG GAL 0.0001349 0.48526 10.4603
336 1T0S BML 0.01236 0.42469 10.4651
337 4GLW NMN 0.00788 0.40832 10.4918
338 4OHB 5HM 0.0002689 0.44269 10.5263
339 1UUY PPI 0.01603 0.42586 10.7784
340 2YIV YIV 0.001336 0.47177 10.8527
341 1HFA PIO 0.004755 0.47066 10.8527
342 1VBH PEP 0.002267 0.43958 10.8527
343 1OGD RIP 0.002803 0.42975 10.8527
344 1VQ2 DDN 0.0008154 0.4207 10.8527
345 4BR5 ANP 0.0001331 0.41426 10.8527
346 4UAL 3FV 0.001473 0.41165 10.8527
347 3SJU NDP 0.00003682 0.40841 10.8527
348 1CL2 PPG 0.001747 0.40119 10.9333
349 4YDU ADP 0.01631 0.40721 10.9705
350 1UW1 ADP 0.006531 0.41953 11.25
351 1KHT AMP 0.0008007 0.44655 11.4583
352 3F81 STT 0.003549 0.45917 11.4754
353 4N7U 2JA 0.01787 0.42345 11.5789
354 2QXL ATP 0.000000001095 0.69345 11.6279
355 3HZL 6PC 0.001462 0.47871 11.6279
356 5D63 FUC GLA GLA 0.0004605 0.47722 11.6279
357 1G8S MET 0.00893 0.41908 11.6279
358 1TUU AMP 0.01829 0.40822 11.6279
359 1TUU ADP 0.02216 0.40819 11.6279
360 1H16 PYR 0.01794 0.41676 11.7333
361 4G28 0W8 0.00176 0.43259 11.7647
362 2J0W ASP 0.00141 0.46262 11.804
363 3RKR NAP 0.004447 0.41135 11.8321
364 1J5P NAD 0.00007216 0.41069 11.8577
365 2XRH NIO 0.00136 0.46335 12
366 1UZN NAP 0.0001115 0.41154 12.1457
367 2DTJ THR 0.007007 0.40352 12.3596
368 1KC7 PPR 0.001817 0.45746 12.4031
369 3P7I P7I 0.001484 0.44139 12.4031
370 3BS8 PMP 0.000842 0.43458 12.4031
371 2B7N NTM 0.004453 0.42679 12.4031
372 3UER BTU 0.002834 0.41436 12.4031
373 3UER TUR 0.002834 0.41436 12.4031
374 2HW1 FRU 0.01268 0.40693 12.4031
375 1SC3 MLI 0.001469 0.46977 12.5
376 2DVZ GLU 0.002157 0.42379 12.8
377 3LDQ 3P1 0.0000001503 0.602 13.1579
378 3NKS ACJ 0.0003123 0.44035 13.1783
379 3SBZ MLI 0.01175 0.43274 13.1783
380 3PLN U5P 0.0027 0.43044 13.1783
381 2YBQ SAH 0.001471 0.40368 13.1783
382 1BTN I3P 0.003624 0.47542 13.2075
383 2E1A MSE 0.004081 0.41768 13.3333
384 2XI7 XI7 0.000603 0.52113 13.587
385 3QFU ADP 0.00000001482 0.59165 13.6
386 3UCJ AZM 0.001596 0.43432 13.6564
387 4P9Z NMI PTR 02K ASN NH2 0.01133 0.40413 13.6752
388 3RF4 FUN 0.002874 0.42929 13.7931
389 1Q6O LG6 0.001379 0.41698 13.8889
390 2Q8M AMP 0.0003441 0.4495 13.9535
391 1WDI CIT 0.006323 0.43977 13.9535
392 1II5 GLU 0.00231 0.43922 13.9535
393 2OWZ CIT 0.004115 0.4343 13.9535
394 2O66 FLC 0.003479 0.43146 13.9535
395 1RZM PEP 0.004837 0.41975 13.9535
396 1RZM E4P 0.01204 0.41894 13.9535
397 3SQG COM 0.03044 0.41845 13.9535
398 1WDA BAG 0.007742 0.40631 13.9535
399 1GVF PGH 0.02794 0.40294 13.9535
400 4CIB 7UZ 0.001577 0.44645 14.1333
401 2P69 PLP 0.001064 0.45389 14.7059
402 2R00 OEG 0.0005972 0.48008 14.7287
403 4B9E FAH 0.003361 0.44495 14.7287
404 2OFD NGA 0.002646 0.44296 14.7287
405 2OFE NAG 0.007068 0.42367 14.7287
406 1U3I GSH 0.01203 0.40793 14.7287
407 3ZY6 GFB 0.001445 0.40021 14.7287
408 2X2T GAL NGA 0.004238 0.45526 15.0327
409 4F8L GAL 0.009065 0.45569 15.1724
410 4LFL TG6 0.0005786 0.44639 15.5039
411 4M51 BEZ 0.004874 0.44441 15.5039
412 3CEV ARG 0.0009901 0.44279 15.5039
413 1A8S PPI 0.002625 0.41799 15.5039
414 2OHV NHL 0.005273 0.41313 15.5039
415 2YFT DQR 0.002201 0.40962 15.5039
416 4JCA CIT 0.003478 0.46863 16.2791
417 2XDQ MGX 0.004177 0.45558 16.2791
418 3IHB TRS 0.001961 0.44389 16.2791
419 3IHB GLU 0.01063 0.42149 16.2791
420 1SS4 GSH 0.002701 0.49207 16.3399
421 1SS4 CIT 0.005115 0.45439 16.3399
422 2Q3M MLA 0.01066 0.43489 16.5644
423 2Q37 3AL 0.01584 0.40269 16.5746
424 3TKA CTN 0.01119 0.45801 17.0543
425 1QDS PGA 0.001585 0.42908 17.0543
426 2I4O ATP 0.001692 0.42796 17.0543
427 1QR0 COA 0.002318 0.42255 17.0543
428 3TKA SAM 0.0004976 0.41527 17.0543
429 3PNA CMP 0.001525 0.43513 17.5325
430 2F2U M77 0.005248 0.4085 17.8295
431 4KCF FMN 0.005912 0.40208 17.8295
432 1V2G OCA 0.002582 0.41591 17.8947
433 2W41 ADP 0.0008075 0.40339 18.6667
434 5C2N NAG 0.039 0.42176 18.75
435 4JLV ADP 0.002583 0.48058 19.3798
436 2JFV FLC 0.006686 0.42477 19.3798
437 1YOE RIB 0.005801 0.41144 19.3798
438 1GSA ADP 0.0008599 0.40379 20.155
439 2QWO ADP 0.00000002836 0.60523 20.6522
440 3BHO B4P 0.01856 0.42996 20.6731
441 2YVF NAD 0.0003188 0.46127 20.9302
442 2YVF FAD 0.0003032 0.46127 20.9302
443 3U1T MLI 0.002397 0.45183 20.9302
444 4KGM ATP 0.001563 0.42427 21.2245
445 2V5E SCR 0.01672 0.43238 21.5
446 1Y13 BIO 0.004835 0.40991 21.7054
447 1NME 159 0.006304 0.4465 21.7391
448 2F7C CCU 0.006311 0.42017 21.8884
449 3A1I UNU 0.0009852 0.43725 22.4806
450 2G36 TRP 0.008514 0.41449 24.031
451 4EHU ANP 0.000000931 0.54617 24.6377
452 2Q1A 2KT 0.000503 0.47549 24.8062
453 1NP0 NGT 0.004468 0.43268 24.8062
454 1KYQ NAD 0.001754 0.40496 24.8062
455 2VAR KDG 0.0002047 0.45815 25.5814
456 2VAR KDF 0.0004474 0.44512 25.5814
457 2VAR AMP 0.001033 0.43644 25.5814
458 2VAR ANP 0.0002104 0.42742 25.5814
459 2C5S AMP 0.004084 0.41767 25.5814
460 1LVL NAD 0.001443 0.40023 25.5814
461 1YFZ IMP 0.00508 0.42429 27.8049
462 1UO5 PIH 0.0001475 0.55508 29.4118
463 1UO4 PIH 0.0002591 0.52836 29.4118
464 1Y2W NAG 0.01018 0.4165 29.4574
465 2OI2 DP6 0.006109 0.40153 31.7829
466 1ZUW DGL 0.008774 0.40408 32.5581
467 1G0V NAG 0.00582 0.46257 35.4839
468 1NU4 MLA 0.004215 0.47421 36.0825
469 2FYU FDN 0.002047 0.40266 36.3636
470 4CCN OGA 0.008487 0.42008 37.1429
471 4A2A ATP 0.0000004095 0.58338 37.5
472 2P8O BVA 0.0003058 0.4357 46.1538
Pocket No.: 2; Query (leader) PDB : 2Q97; Ligand: ATP; Similar sites found: 12
This union binding pocket(no: 2) in the query (biounit: 2q97.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5CKS GAL 0.03123 0.40096 2.849
2 4ZLU 4PW 0.00003322 0.4246 4.65116
3 4ZLU ADP 0.00003322 0.4246 4.65116
4 2UYT LRH 0.00005685 0.43818 5.33333
5 5A7V BMA 0.01004 0.41149 5.42636
6 4RW3 SHV 0.02467 0.4072 5.42636
7 5X2N ALA 0.01283 0.41947 7.55556
8 5X20 AOT 0.02072 0.41285 7.75194
9 5FPN KYD 0.00009217 0.50075 8.52713
10 5AR0 GB8 0.00000003795 0.61256 9.30233
11 4YSX MLI 0.01523 0.41735 20.155
12 5H6S HDH 0.02243 0.40792 34.1085
Feedback