Receptor
PDB id Resolution Class Description Source Keywords
3V4S 2.02 Å EC: 4.1.1.21 CRYSTAL STRUCTURE OF ADP-ATP COMPLEX OF PURK: N5-CARBOXYAMIN RIBONUCLEOTIDE SYNTHETASE BACILLUS ANTHRACIS CARBOXYLASE PURK SYNTHASE ADP/ATP LYASE
Ref.: ELUCIDATION OF THE BICARBONATE BINDING SITE AND INS INTO THE CARBOXYLATION MECHANISM OF (N(5))-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHAS FROM BACILLUS ANTHRACIS. ACTA CRYSTALLOGR.,SECT.D V. 70 3057 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP B:401;
Valid;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG B:402;
A:402;
B:403;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
CO3 A:403;
B:404;
Invalid;
Invalid;
none;
none;
submit data
60.009 C O3 C(=O)...
ADP A:401;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3V4S 2.02 Å EC: 4.1.1.21 CRYSTAL STRUCTURE OF ADP-ATP COMPLEX OF PURK: N5-CARBOXYAMIN RIBONUCLEOTIDE SYNTHETASE BACILLUS ANTHRACIS CARBOXYLASE PURK SYNTHASE ADP/ATP LYASE
Ref.: ELUCIDATION OF THE BICARBONATE BINDING SITE AND INS INTO THE CARBOXYLATION MECHANISM OF (N(5))-CARBOXYAMINOIMIDAZOLE RIBONUCLEOTIDE SYNTHAS FROM BACILLUS ANTHRACIS. ACTA CRYSTALLOGR.,SECT.D V. 70 3057 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4DLK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 3V4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4DLK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 3V4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4DLK - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 3V4S - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3ORQ - ADP C10 H15 N5 O10 P2 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
Ligand no: 2; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3V4S; Ligand: ATP; Similar sites found: 244
This union binding pocket(no: 1) in the query (biounit: 3v4s.bio1) has 23 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.01833 0.40657 None
2 2PUL ACP 0.0002545 0.47625 1.29199
3 2R5T ANP 0.00163 0.4238 1.34048
4 2Q7D ANP 0.000002063 0.50972 1.44509
5 3MVH WFE 0.00258 0.4268 1.46199
6 3TKI S25 0.003502 0.44243 1.54799
7 3DNT ATP 0.001299 0.43161 1.55039
8 3TPV ADE 0.002447 0.42367 1.55039
9 5CKW ANP 0.0003291 0.41577 1.55039
10 4YMJ 4EJ 0.001132 0.47591 1.64474
11 1ZN7 HSX 0.01604 0.40538 1.66667
12 4I94 ANP 0.002194 0.40262 1.66667
13 3HAV ATP 0.0001165 0.40755 1.67224
14 4AU8 Z3R 0.009086 0.41747 1.68919
15 5LI1 ANP 0.005955 0.40031 1.69492
16 5LI9 ACP 0.001778 0.42971 1.71429
17 1V0O INR 0.005484 0.41197 1.73611
18 2PVF ACP 0.00101 0.44907 1.79641
19 3V8S 0HD 0.0009911 0.41565 1.80879
20 2CFM AMP 0.01535 0.40632 1.80879
21 4CLI 5P8 0.01861 0.40223 1.83486
22 5FQK 6NT 0.01391 0.41935 1.85874
23 4JR7 GNP 0.002993 0.42366 1.87166
24 5HVJ ANP 0.001465 0.46717 1.90476
25 3RI1 3RH 0.002153 0.42566 1.91693
26 5UR1 YY9 0.0138 0.40721 1.92926
27 5I35 ANP 0.0002038 0.48063 2.06718
28 4AZW ATP 0.0008864 0.4299 2.06718
29 3DAK ANP 0.002968 0.43203 2.06897
30 3PE2 E1B 0.002531 0.44349 2.07715
31 3ALN ANP 0.002695 0.42972 2.14067
32 2PZI AXX 0.000797 0.46364 2.20264
33 5N0F 7K2 0.004479 0.4444 2.20994
34 4X7Q 3YR 0.007599 0.40566 2.24359
35 4R78 AMP 0.003654 0.44171 2.26537
36 3TXO 07U 0.001042 0.41107 2.26629
37 4ZS4 ATP 0.004189 0.41351 2.28013
38 1U5R ATP 0.006435 0.41254 2.29885
39 4XH0 ADP 0.002756 0.45396 2.32558
40 1Z2P I3S 0.000002486 0.44792 2.32558
41 1Z2P ACP 0.000002486 0.44792 2.32558
42 4UAL 3FV 0.00172 0.41252 2.32558
43 3PLS ANP 0.0005493 0.42327 2.34899
44 4NZN ANP 0.00001002 0.40816 2.42424
45 4NZN 2OU 0.00001002 0.40816 2.42424
46 1U59 STU 0.006124 0.40983 2.43902
47 5KO1 6UY 0.001957 0.43604 2.4735
48 4YLL 4E3 0.002579 0.4173 2.49307
49 4IX4 ADP 0.0002373 0.45468 2.57143
50 1ZY5 ANP 0.001531 0.41062 2.64026
51 4BTK DTQ 0.0007055 0.42637 2.67062
52 3ZRM ZRM 0.001569 0.41328 2.69542
53 5W2I I3P 0.001953 0.40938 2.72374
54 5W2I ADP 0.001953 0.40938 2.72374
55 4K33 ACP 0.00321 0.40423 2.76923
56 2Z7R STU 0.001711 0.42292 2.80374
57 4CC6 L5Y 0.0003692 0.49146 2.83019
58 3SXF BK5 0.004792 0.4203 2.84238
59 5AWM ANP 0.009394 0.41676 2.84238
60 1O9U ADZ 0.005215 0.43468 2.85714
61 4Y8D 49J 0.01537 0.41484 2.85714
62 3F7Z 34O 0.002015 0.40863 2.85714
63 4A4X JUP 0.0006407 0.41786 2.86738
64 4OCJ NDG 0.0005133 0.4669 2.90237
65 4IZY 1J2 0.002487 0.41967 2.98103
66 2R85 AMP 0.001699 0.43608 2.99401
67 1W2D ADP 0.0004676 0.48031 3.01887
68 1I7E IBS 0.008014 0.43174 3.01887
69 4KBA 1QM 0.01142 0.41691 3.02115
70 4UX9 ANP 0.001227 0.43274 3.02198
71 5UIU 8CG 0.004167 0.41778 3.09598
72 5MW8 ATP 0.0002161 0.46246 3.10078
73 4XLI 1N1 0.007709 0.40896 3.10078
74 4FL3 ANP 0.005002 0.40347 3.10078
75 4FG8 ATP 0.001031 0.42799 3.1746
76 4L9I 8PR 0.007834 0.40864 3.1746
77 3VPC ADP 0.000003563 0.53469 3.19149
78 1OBD ATP 0.0009212 0.40672 3.26797
79 5IQD RIO 0.002581 0.43572 3.27869
80 5IQD GNP 0.002429 0.43572 3.27869
81 5HX8 66P 0.001539 0.40352 3.31126
82 3X01 AMP 0.0001781 0.51653 3.35917
83 3KRR DQX 0.004609 0.44372 3.35917
84 3UDZ ADP 0.001527 0.41706 3.35917
85 2B9J ADP 0.002158 0.43411 3.39943
86 2B9I ADP 0.003323 0.42164 3.39943
87 2B9H ADP 0.002914 0.40608 3.39943
88 2B9F ADP 0.00281 0.40218 3.39943
89 3OFM 4B0 0.001236 0.40193 3.42857
90 4OCV ANP 0.0001263 0.46056 3.43008
91 2YAK OSV 0.0009586 0.44539 3.50877
92 4RDL FUC GAL NDG FUC 0.02555 0.40638 3.57143
93 5IH9 6BF 0.006633 0.41524 3.58209
94 2PYW ADP 0.00007346 0.47428 3.61757
95 1KJ1 MAN 0.01854 0.41478 3.66972
96 4EUU BX7 0.004387 0.41247 3.76176
97 1GSA ADP 0.000001079 0.55895 3.79747
98 5TDF ADP 0.00005516 0.47947 3.87597
99 4E1Z 0MX 0.000894 0.42928 3.87597
100 5A6N U7E 0.0005295 0.43562 3.88693
101 1TQP ATP 0.0003255 0.44024 3.90071
102 4QTB 38Z 0.005655 0.41067 3.94737
103 4N70 2HX 0.002786 0.44348 3.96341
104 5JSP DQY 0.0176 0.4121 3.9801
105 4Y0X ADP 0.0000577 0.45398 4
106 4DFU QUE 0.00007594 0.53327 4.03727
107 3UPY FOM 0.03022 0.4042 4.04494
108 4JDI ANP 0.003225 0.41486 4.04624
109 5C4L 4XR 0.0008508 0.44912 4.04984
110 5U6C 7YS 0.004271 0.40634 4.12698
111 3IGO ANP 0.004202 0.40663 4.13437
112 3GNI ATP 0.005651 0.40448 4.13437
113 5LXC 7AA 0.001993 0.40175 4.13437
114 2AQX ATP 0.003448 0.41022 4.15225
115 4FE2 ADP 0.009649 0.41208 4.31373
116 4LH7 1X8 0.0002551 0.51103 4.33437
117 2ZV2 609 0.004962 0.43031 4.36242
118 2XMY CDK 0.02189 0.4123 4.36242
119 5JZJ AN2 0.007815 0.40869 4.3771
120 4GYI ADP 0.00002938 0.53177 4.39277
121 2HGS ADP 0.00003804 0.49409 4.39277
122 4UWH JXM 0.0002063 0.48581 4.39277
123 5DZT AMP 0.00007479 0.4115 4.39277
124 4F4P 0SB 0.02466 0.40661 4.3956
125 4OTH DRN 0.0009656 0.43328 4.39883
126 4H3Q ANP 0.002073 0.42128 4.41989
127 4H3P ANP 0.001452 0.41418 4.41989
128 3KMW ATP 0.0006052 0.45918 4.42804
129 1I7L ATP 0.0000003153 0.55827 4.53074
130 4L3L 5FI 0.0008017 0.44875 4.60526
131 1XJD STU 0.002055 0.42697 4.63768
132 2F2U M77 0.008461 0.41899 4.65116
133 4PU5 ANP 0.00432 0.40162 4.65116
134 1PK8 ATP 0.0000001022 0.56668 4.73934
135 4BHN BH9 0.003724 0.4122 4.79042
136 1RE8 BD2 0.006498 0.42486 4.85714
137 1EHI ADP 0.0000001993 0.60132 5.03979
138 4KS7 X4Z 0.0004063 0.44253 5.13699
139 3DGY 2GP 0.02477 0.40494 5.15464
140 3FHI ANP 0.007221 0.40323 5.19481
141 5EOB 5QQ 0.02866 0.40076 5.32915
142 2V7O DRN 0.0006174 0.40288 5.35714
143 2IO8 ADP 0.00002175 0.50649 5.42636
144 4CTA ATP 0.00449 0.41049 5.42636
145 1GXU 2HP 0.02015 0.43064 5.49451
146 2QCS ANP 0.004268 0.41298 5.49828
147 4NFN 2KC 0.003347 0.42545 5.50162
148 2WU6 DKI 0.002691 0.40972 5.51181
149 5IDB BMA 0.01445 0.42644 5.6338
150 5IDB MAN 0.01445 0.42644 5.6338
151 4ZGP ADP 0.0006843 0.45675 5.80205
152 3RE4 TO1 0.0002636 0.49243 5.81395
153 1ZP9 ATP 0.001637 0.4005 5.81395
154 3KAL ADP 0.00006984 0.42232 5.94315
155 5VLQ ANP 0.000000787 0.40727 5.94315
156 4GJ3 0XP 0.005848 0.41274 5.96026
157 3GGF GVD 0.003618 0.42803 5.98007
158 4BFM ANP 0.002873 0.41009 5.98802
159 1ULE GLA GAL NAG 0.03499 0.40006 6
160 4OH4 ANP 0.002724 0.42548 6.00601
161 5LPZ ADP 0.001997 0.43147 6.0241
162 5C03 AGS 0.0007394 0.45063 6.20155
163 2A19 ANP 0.002269 0.44689 6.28571
164 3LXN MI1 0.001611 0.42164 6.28931
165 3AKK ADP 0.0002037 0.45163 6.46154
166 1YQC GLV 0.004357 0.42797 6.47059
167 4WNP 3RJ 0.001932 0.44536 6.62021
168 3G5D 1N1 0.007449 0.42882 6.64336
169 2R7K AMZ 0.00004552 0.50079 6.6482
170 5L8L ADP 0.01669 0.40453 6.66667
171 1E4E ADP 0.000001328 0.53839 6.70554
172 2VZ6 FEF 0.004404 0.42832 6.70927
173 5LPB ADP 0.00401 0.43482 6.75676
174 4XV1 904 0.002361 0.43254 6.84932
175 3WVR AMP 0.00003139 0.46408 6.93512
176 2WQN ADP 0.005492 0.42375 7.09677
177 5HZX 2GE 0.009534 0.41645 7.38636
178 5K2M ADP 0.00000013 0.60024 7.54717
179 4WOV 3SM 0.01202 0.40752 7.57098
180 4IDT T28 0.006651 0.41188 7.58427
181 3TII ANP 0.000001413 0.4999 7.63158
182 3LQV ADE 0.01405 0.42172 7.69231
183 1AUX AGS 0.00000004421 0.63808 7.71704
184 2IF8 ADP 0.0002076 0.51087 7.75194
185 3TDV GDP 0.007398 0.40618 7.84314
186 3GQI ACP 0.002153 0.40636 7.9646
187 4WW7 AMP 0.0001944 0.46231 8.02139
188 5VZ0 ADP 0.0000005938 0.53945 8.26873
189 1M0W ANP 0.00001536 0.47818 8.52713
190 3DLS ADP 0.001263 0.40446 8.65672
191 4O4F ATP 0.0004677 0.42827 8.87097
192 4O4F IHP 0.0005146 0.42131 8.87097
193 2BKK ADP 0.0008467 0.40596 8.87574
194 2QK4 ATP 0.000001315 0.47771 9.04393
195 5UOX 8GY 0.003682 0.40903 9.04393
196 4ANW O92 0.001186 0.44427 9.30233
197 3C0G 3AM 0.0009592 0.45981 9.56072
198 4U98 ACP 0.000001336 0.5797 9.81912
199 5EFQ ADP 0.005637 0.41144 9.81912
200 2RIF AMP 0.009398 0.40873 9.92908
201 4BCN T9N 0.001891 0.4458 10.3053
202 4CFU 2WC 0.004406 0.42405 10.3053
203 4BCM T7Z 0.002399 0.4 10.3053
204 2VPQ ANP 0.00000002213 0.62973 10.4213
205 2CSN CKI 0.00352 0.41655 10.4377
206 5LXT ACP 0.000002731 0.52998 10.4895
207 5DXT 5H5 0.0009233 0.44207 10.5943
208 5FI4 5XV 0.001461 0.42945 10.5943
209 4F9C 0SX 0.001589 0.40898 11.1111
210 5VC5 96M 0.00178 0.43077 11.4187
211 5IGI ZIT 0.01513 0.40149 11.6279
212 5IGI GMP 0.01433 0.40149 11.6279
213 3I0O ADP 0.00001558 0.55226 12.0944
214 5NBW 8SK 0.009616 0.41215 12.6168
215 5G1X ADP 0.006919 0.4111 12.6984
216 1IA9 ANP 0.0009655 0.44123 12.8571
217 3VPD ANP 0.0000001686 0.58991 13.879
218 2YW2 ATP 0.00000005749 0.6169 14.2119
219 4XYM A12 0.00005257 0.49614 14.3478
220 4Q5H ANP 0.0002651 0.47041 14.4737
221 4CS9 AMP 0.00441 0.44327 15.3439
222 5HQ0 LZ9 0.002276 0.42131 15.4762
223 3WO0 ALA 0.000001364 0.58129 16.0207
224 3WO0 ADP 0.006709 0.44512 16.0207
225 5M06 ADP 0.006366 0.41661 16.6667
226 5X8I SQZ 0.002757 0.42525 16.7959
227 5LXM ADP 0.004485 0.41967 18.4211
228 3E5A VX6 0.001587 0.40878 20.4545
229 4ME6 ADP 0.0000000004697 0.55936 20.7254
230 2QF7 AGS 0.0004258 0.45737 21.9638
231 4WB6 ATP 0.007467 0.4026 21.9638
232 2YRX AMP 0.000001544 0.46542 22.9974
233 1T36 ADP 0.0000001488 0.60536 24.031
234 3VOT ADP 0.0000001437 0.53224 24.031
235 5C1P ADP 0.0000007682 0.60698 25.1634
236 5C1P DAL DAL 0.000006043 0.4984 25.1634
237 2VQD AP2 0.0000009063 0.55389 25.431
238 1IOW PHY 0.0000004551 0.59704 28.1046
239 1IOW ADP 0.0000004551 0.48172 28.1046
240 3VPB ADP 0.00000004424 0.58119 28.5714
241 2V58 LZJ 0.000001857 0.42903 31.2661
242 4MV1 ADP 0.0001761 0.41568 33.5917
243 1KJ8 ATP 0.0000000003981 0.5564 45.2685
244 1KJ8 GAR 0.0000000004472 0.54747 45.2685
Pocket No.: 2; Query (leader) PDB : 3V4S; Ligand: ADP; Similar sites found: 144
This union binding pocket(no: 2) in the query (biounit: 3v4s.bio1) has 35 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 0.02464 0.41558 None
2 2PUL ACP 0.0007532 0.47404 1.29199
3 2R5T ANP 0.01027 0.40683 1.34048
4 2Q7D ANP 0.00003139 0.49921 1.44509
5 3TPV ADE 0.003616 0.43382 1.55039
6 4YMJ 4EJ 0.006762 0.45161 1.64474
7 1ZN7 HSX 0.03825 0.4018 1.66667
8 4AU8 Z3R 0.02267 0.41359 1.68919
9 5LI9 ACP 0.004357 0.4301 1.71429
10 3W0O HY0 0.004036 0.40478 1.7192
11 3W0O ADP 0.004036 0.40478 1.7192
12 1V0O INR 0.01887 0.40381 1.73611
13 2PVF ACP 0.005483 0.43279 1.79641
14 3E7S AT2 0.04961 0.40375 1.80879
15 4JR7 GNP 0.008625 0.41982 1.87166
16 5HVJ ANP 0.01212 0.43581 1.90476
17 5I35 ANP 0.0003251 0.49148 2.06718
18 3DAK ANP 0.02278 0.40632 2.06897
19 2PZI AXX 0.003366 0.45148 2.20264
20 5N0F 7K2 0.009917 0.44243 2.20994
21 4X7Q 3YR 0.0182 0.41114 2.24359
22 4R78 AMP 0.008252 0.44065 2.26537
23 4ZS4 ATP 0.009066 0.41546 2.28013
24 1U5R ATP 0.02316 0.4027 2.29885
25 1Z2P I3S 0.00002238 0.46511 2.32558
26 1Z2P ACP 0.00002238 0.46511 2.32558
27 4XH0 ADP 0.02091 0.42297 2.32558
28 4NZN 2OU 0.0000759 0.42663 2.42424
29 4NZN ANP 0.0000759 0.42663 2.42424
30 1U59 STU 0.01633 0.40677 2.43902
31 4K37 SAM 0.02106 0.4047 2.7027
32 5W2I ADP 0.0007583 0.44938 2.72374
33 5W2I I3P 0.0007583 0.44938 2.72374
34 2Z7R STU 0.007204 0.41366 2.80374
35 4CC6 L5Y 0.0007276 0.49596 2.83019
36 1O9U ADZ 0.01886 0.41933 2.85714
37 4A4X JUP 0.005268 0.40795 2.86738
38 4IZY 1J2 0.01165 0.40736 2.98103
39 2R85 AMP 0.001145 0.40153 2.99401
40 1W2D ADP 0.001357 0.47633 3.01887
41 1W2D 4IP 0.006678 0.40372 3.01887
42 4KBA 1QM 0.04242 0.40302 3.02115
43 4UX9 ANP 0.005488 0.42211 3.02198
44 4XLI 1N1 0.02571 0.4005 3.10078
45 3VPC ADP 0.00001802 0.52845 3.19149
46 3X01 AMP 0.001304 0.48986 3.35917
47 2B9J ADP 0.01118 0.41794 3.39943
48 2B9I ADP 0.0148 0.40879 3.39943
49 4OUJ LBT 0.0192 0.42691 3.58306
50 1GSA ADP 0.000007388 0.44928 3.79747
51 4E1Z 0MX 0.005465 0.41587 3.87597
52 1TQP ATP 0.0009363 0.44549 3.90071
53 4DFU QUE 0.0003703 0.5179 4.03727
54 3IGO ANP 0.006942 0.41437 4.13437
55 4FE2 ADP 0.03401 0.40098 4.31373
56 4LH7 1X8 0.00167 0.47705 4.33437
57 2ZV2 609 0.01151 0.42875 4.36242
58 3WV6 GAL BGC 0.02973 0.41568 4.39189
59 4GYI ADP 0.00005693 0.54001 4.39277
60 4UWH JXM 0.0002681 0.50079 4.39277
61 4S00 AKR 0.04471 0.40662 4.39277
62 4OTH DRN 0.006017 0.41711 4.39883
63 3KMW ATP 0.00185 0.45538 4.42804
64 1I7L ATP 0.000008345 0.53259 4.53074
65 1XJD STU 0.003965 0.43198 4.63768
66 4PU5 ANP 0.004239 0.42065 4.65116
67 2F2U M77 0.02397 0.41233 4.65116
68 1PK8 ATP 0.000003921 0.54128 4.73934
69 5CPZ SIA SIA GAL NGA GAL 0.03762 0.40581 4.92958
70 1EHI ADP 0.000001656 0.58698 5.03979
71 4KS7 X4Z 0.002857 0.42808 5.13699
72 2IO8 ADP 0.00009614 0.41581 5.42636
73 2WU6 DKI 0.01211 0.40085 5.51181
74 5IDB BMA 0.0203 0.43614 5.6338
75 5IDB MAN 0.0203 0.43614 5.6338
76 2D24 XYS XYS 0.04337 0.41244 5.68475
77 4ZGP ADP 0.002768 0.44701 5.80205
78 3RE4 TO1 0.001307 0.47717 5.81395
79 3KAL ADP 0.0005605 0.42945 5.94315
80 3GGF GVD 0.02046 0.40864 5.98007
81 4OH4 ANP 0.008065 0.42119 6.00601
82 5LPZ ADP 0.009813 0.41719 6.0241
83 4LO2 GAL BGC 0.02369 0.42975 6.12245
84 5C03 AGS 0.005488 0.42904 6.20155
85 4BWL MN9 0.04367 0.40881 6.25
86 2A19 ANP 0.01891 0.41766 6.28571
87 5F90 GLA GAL 0.0482 0.40437 6.41026
88 1YQC GLV 0.009519 0.42193 6.47059
89 4WNP 3RJ 0.01679 0.41648 6.62021
90 2R7K AMZ 0.0001139 0.43089 6.6482
91 5L8L ADP 0.02498 0.4114 6.66667
92 1E4E ADP 0.000007483 0.4302 6.70554
93 2VZ6 FEF 0.01854 0.41431 6.70927
94 5LPB ADP 0.01688 0.4202 6.75676
95 2WQN ADP 0.009816 0.4282 7.09677
96 5HZX 2GE 0.04131 0.40005 7.38636
97 5K2M ADP 0.000000664 0.48395 7.54717
98 3TII ANP 0.000004242 0.4102 7.63158
99 3LQV ADE 0.01812 0.43171 7.69231
100 1AUX AGS 0.000001025 0.6036 7.71704
101 2IF8 ADP 0.0006293 0.50553 7.75194
102 3TDV GDP 0.01742 0.40545 7.84314
103 5VZ0 ADP 0.000002483 0.43728 8.26873
104 4O4F ATP 0.001829 0.42992 8.87097
105 4O4F IHP 0.002205 0.42349 8.87097
106 3C0G 3AM 0.008637 0.43099 9.56072
107 4U98 ACP 0.000009336 0.56517 9.81912
108 5EFQ ADP 0.02234 0.40034 9.81912
109 2RIF AMP 0.02838 0.40161 9.92908
110 4BCN T9N 0.01545 0.4183 10.3053
111 4CFU 2WC 0.01527 0.4149 10.3053
112 2VPQ ANP 0.0000002848 0.49131 10.4213
113 5LXT ACP 0.0000117 0.53143 10.4895
114 5DXT 5H5 0.0009366 0.46075 10.5943
115 4IAW LIZ 0.03694 0.40258 10.6383
116 3I0O ADP 0.00004454 0.55219 12.0944
117 5NBW 8SK 0.02819 0.40512 12.6168
118 5G1X ADP 0.02508 0.40103 12.6984
119 1IA9 ANP 0.003407 0.43501 12.8571
120 3VPD ANP 0.0000005358 0.47037 13.879
121 2YW2 ATP 0.00001557 0.53668 14.2119
122 4XYM A12 0.0002998 0.48345 14.3478
123 4Q5H ANP 0.003118 0.44056 14.4737
124 2AF6 FAD 0.01063 0.46207 14.7287
125 4CS9 AMP 0.0118 0.43653 15.3439
126 5HQ0 LZ9 0.009887 0.41058 15.4762
127 3WO0 ALA 0.00002795 0.47388 16.0207
128 5M06 ADP 0.01422 0.41642 16.6667
129 5X8I SQZ 0.00874 0.41955 16.7959
130 5LXM ADP 0.02502 0.40108 18.4211
131 3E5A VX6 0.006146 0.40791 20.4545
132 4ME6 ADP 0.000000004463 0.43563 20.7254
133 1T36 ADP 0.000006494 0.46416 24.031
134 3VOT ADP 0.00000192 0.41781 24.031
135 5C1P ADP 0.0000007738 0.63323 25.1634
136 5C1P DAL DAL 0.00001047 0.52349 25.1634
137 2VQD AP2 0.000003879 0.44892 25.431
138 1IOW ADP 0.00001835 0.48096 28.1046
139 1IOW PHY 0.00001835 0.4737 28.1046
140 3VPB ADP 0.000001314 0.56109 28.5714
141 2V58 LZJ 0.000007008 0.45818 31.2661
142 4MV1 ADP 0.0001366 0.4554 33.5917
143 1KJ8 ATP 0.00000006571 0.55828 45.2685
144 1KJ8 GAR 0.00000007408 0.54961 45.2685
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