Receptor
PDB id Resolution Class Description Source Keywords
2I4O 2.4 Å EC: 6.1.1.15 RHODOPSEUDOMONAS PALUSTRIS PROLYL-TRNA SYNTHETASE IN COMPLEX RHODOPSEUDOMONAS PALUSTRIS ALPHA BETA LIGASE
Ref.: STRUCTURES OF TWO BACTERIAL PROLYL-TRNA SYNTHETASES WITHOUT A CIS-EDITING DOMAIN. STRUCTURE V. 14 1511 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ATP A:442;
B:442;
C:441;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MG A:439;
A:440;
A:441;
B:439;
B:440;
B:441;
C:439;
C:440;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2I4O 2.4 Å EC: 6.1.1.15 RHODOPSEUDOMONAS PALUSTRIS PROLYL-TRNA SYNTHETASE IN COMPLEX RHODOPSEUDOMONAS PALUSTRIS ALPHA BETA LIGASE
Ref.: STRUCTURES OF TWO BACTERIAL PROLYL-TRNA SYNTHETASES WITHOUT A CIS-EDITING DOMAIN. STRUCTURE V. 14 1511 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2I4O - 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 4 families.
1 2I4O - 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 4 families.
1 2I4O - 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 : 2I4O; Ligand: ATP; Similar sites found: 396
This union binding pocket(no: 1) in the query (biounit: 2i4o.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NU4 MLA 0.01922 0.42221 None
2 4F4S EFO 0.003427 0.40909 None
3 2Q37 3AL 0.0002646 0.46063 1.10497
4 2DKH 3HB 0.0001504 0.49491 1.31004
5 4QVH FLC 0.01342 0.43288 1.31004
6 2DKH FAD 0.00356 0.42973 1.31004
7 2VJJ RAM GLC GAL NAG NAG GLC 0.01065 0.42457 1.31004
8 2CE7 ADP 0.0009745 0.40441 1.31004
9 3A8U PLP 0.0001185 0.43058 1.3363
10 2YD6 FLC 0.000761 0.50162 1.41509
11 3JDW ORN 0.001412 0.42077 1.41844
12 3UIE ADX 0.0009363 0.4042 1.5
13 3UIE ANP 0.002978 0.40112 1.5
14 3QV9 QV7 0.0007523 0.44193 1.52838
15 1Q3Q ANP 0.009331 0.43195 1.52838
16 3GTD MLI 0.003676 0.41351 1.52838
17 3UBW 6SP 0.002884 0.4819 1.53257
18 2Q3M MLA 0.0006426 0.47811 1.53374
19 4USQ FAD 0.005485 0.4231 1.66205
20 1KBJ FMN 0.02532 0.40153 1.69903
21 1GPJ CIT 0.001244 0.43974 1.73267
22 3BJU ATP 0.000001084 0.55501 1.74672
23 1HSJ GLC 0.03579 0.40766 1.74672
24 4KCF FMN 0.0002173 0.43337 1.76211
25 2R00 OEG 0.0009519 0.45232 1.78571
26 1Y42 TYR 0.00098 0.43073 1.78571
27 4HZX G39 0.006874 0.42436 1.80412
28 1GAD NAD 0.004588 0.41716 1.81818
29 3B6R CRN 0.008241 0.40589 1.83727
30 1GSA ADP 0.00006892 0.40004 1.89873
31 3D2Y AH0 ALA FGA LYS 0.00002041 0.43624 1.91571
32 1WLE SRP 0.000001781 0.59259 1.96507
33 1E1O LYS 0.0000003632 0.47635 1.96507
34 1YS4 NAP 0.0002888 0.45832 1.9774
35 3UDG TMP 0.02307 0.40274 1.99336
36 1O9U ADZ 0.008886 0.4229 2
37 4DVE BTN 0.002737 0.40248 2.0202
38 3B9Z CO2 0.004267 0.41683 2.06186
39 1P72 THM 0.002294 0.41603 2.09581
40 3CL5 SIO 0.00792 0.41136 2.12202
41 2C31 ADP 0.04684 0.40732 2.18341
42 2C31 TZD 0.04804 0.40732 2.18341
43 1ZCB GDP 0.0173 0.40841 2.20994
44 2WQP WQP 0.004715 0.41668 2.29226
45 1X54 4AD 0.0000006338 0.62775 2.30415
46 3L6R MLI 0.008221 0.41064 2.31214
47 4B9E FAH 0.002106 0.43698 2.32558
48 4BT5 23B 0.004131 0.40067 2.33463
49 2V7T SAH 0.01258 0.44089 2.34114
50 4IXW IXW 0.0043 0.4 2.3622
51 1F74 NAY 0.0005033 0.43788 2.38908
52 2IZ1 ATR 0.0005616 0.45451 2.40175
53 2W8Q SIN 0.002729 0.43198 2.40175
54 3O2K DST 0.001868 0.41958 2.40175
55 3FED BIX 0.003679 0.40701 2.40175
56 1PX8 XYP 0.006616 0.40296 2.40175
57 1Z45 GAL 0.00541 0.40118 2.40175
58 3W54 RNB 0.0003934 0.41532 2.43161
59 1YFZ IMP 0.005267 0.40706 2.43902
60 1R0X ATP 0.008165 0.41472 2.44755
61 3O7B SAH 0.0002065 0.40837 2.45902
62 1WTC ACP 0.003237 0.42867 2.47678
63 3LTW HLZ 0.0006323 0.45231 2.5
64 2BGM NAJ 0.01717 0.42011 2.51799
65 2BZ1 TAU 0.0006983 0.499 2.55102
66 1HEX NAD 0.009373 0.40596 2.6087
67 4OYA 1VE 0.0004221 0.51409 2.62009
68 1VBH PEP 0.000222 0.42293 2.62009
69 4UAL 3FV 0.0003114 0.40752 2.62009
70 2ZJ5 ADP 0.007537 0.40062 2.62009
71 2GWD GLU 0.003152 0.40519 2.67261
72 3VKX T3 0.001147 0.43176 2.68199
73 2Q8H TF4 0.001243 0.46426 2.7027
74 4DQ2 BTX 0.008374 0.42974 2.7439
75 2BO4 FLC 0.00445 0.42252 2.77078
76 1TRD PGH 0.0006069 0.41813 2.8
77 3C1O NAP 0.006551 0.4079 2.80374
78 1HXD BTN 0.0185 0.40067 2.80374
79 3MD0 GDP 0.003589 0.40302 2.8169
80 2QGI UDP 0.001896 0.42537 2.82258
81 1B9I PXG 0.001721 0.42944 2.83505
82 2ZTG A5A 0.0000007238 0.53751 2.83843
83 2ZWS PLM 0.0007781 0.4965 2.83843
84 2XDQ MGX 0.01397 0.41335 2.83843
85 4CCO OGA 0.005675 0.40035 2.83843
86 2B82 ADN 0.002335 0.4206 2.8436
87 2CJH AKG 0.0004394 0.40887 2.89532
88 2ZJ3 G6P 0.001916 0.42205 2.93333
89 2V5E SCR 0.0008392 0.48293 2.9703
90 3N5O GSH 0.003921 0.40797 2.97872
91 3SQG COM 0.002755 0.45679 3.00231
92 1DXY COI 0.0007984 0.47356 3.003
93 3BL6 FMC 0.0005246 0.44185 3.04348
94 1SOW OXL 0.01968 0.4061 3.04878
95 1G51 AMO 0.0000006382 0.63229 3.05677
96 3QO8 SSA 0.000001694 0.53501 3.05677
97 2PUL ACP 0.0004247 0.40347 3.05677
98 4USS GSH 0.005606 0.40057 3.07692
99 1PEA ACM 0.0003929 0.47845 3.11688
100 3H86 AP5 0.006767 0.4307 3.125
101 2O4C NAD 0.02444 0.40859 3.15789
102 3HXU A5A 0.00000007703 0.52877 3.1746
103 3PNA CMP 0.002451 0.4094 3.24675
104 1Z42 HBA 0.003757 0.462 3.25444
105 1Z44 NPO 0.01435 0.42902 3.25444
106 2PT9 2MH 0.006616 0.41969 3.27511
107 3ZGE ASP 0.008978 0.41547 3.27511
108 2PT9 S4M 0.004889 0.41455 3.27511
109 1Y1A GSH 0.0007848 0.50614 3.27869
110 3FS8 ACO 0.01587 0.4312 3.2967
111 3FS8 TDR 0.01464 0.4312 3.2967
112 9LDB OXM 0.003565 0.45112 3.31325
113 9LDT OXM 0.003964 0.44878 3.31325
114 1OIK AKG 0.000501 0.45664 3.32226
115 3CEV ARG 0.0003441 0.44219 3.34448
116 2CW6 3HG 0.02352 0.40232 3.3557
117 1P9B HDA 0.003027 0.41699 3.39367
118 5D63 FUC GLA GLA 0.006823 0.40808 3.41297
119 1F5F DHT 0.00004448 0.42645 3.41463
120 2YVF FAD 0.003115 0.45536 3.43137
121 2YVF NAD 0.003231 0.45536 3.43137
122 1XE7 GUN 0.004235 0.43851 3.44828
123 1P9P SAH 0.001241 0.43329 3.44828
124 3RF4 FUN 0.001242 0.42664 3.44828
125 1T3D CYS 0.004662 0.42162 3.46021
126 4NES UD1 0.003654 0.40916 3.47594
127 1A59 CIT 0.002361 0.43478 3.49345
128 1ZFJ IMP 0.04192 0.41873 3.49345
129 4RJK PYR 0.009037 0.41533 3.49345
130 1BXK NAD 0.03208 0.40018 3.49345
131 3QDW A2G 0.0006569 0.47765 3.4965
132 3QDY CBS 0.00726 0.41305 3.4965
133 3QDW NDG 0.007572 0.41223 3.4965
134 3QDT A2G GAL 0.01242 0.4089 3.4965
135 1HQL GLA MBG 0.003449 0.42745 3.50195
136 5YAS FAC 0.002499 0.40396 3.50195
137 1ZZ7 S0H 0.003463 0.4089 3.53535
138 3SCH TB6 0.007537 0.40623 3.53535
139 3OZG SSI 0.0003242 0.44517 3.6
140 4N02 FNR 0.02449 0.41045 3.64146
141 1UZN NAP 0.0006794 0.4329 3.64372
142 4CS4 ANP 0.0000001361 0.68626 3.64964
143 4CS4 AXZ 0.0000002098 0.68626 3.64964
144 2Y7P SAL 0.0001947 0.45866 3.66972
145 3TXO 07U 0.003901 0.40165 3.68272
146 1JH7 UVC 0.006483 0.40333 3.7037
147 1H9G COA MYR 0.02701 0.40146 3.7037
148 1ZED PNP 0.001978 0.4382 3.71179
149 1Y7I SAL 0.001189 0.42739 3.73134
150 2F2U M77 0.002646 0.40303 3.73134
151 3VHZ L2P GLC MAN SGA 0.02195 0.42059 3.81679
152 2F59 INI 0.0002238 0.40668 3.82166
153 2PWY SAH 0.001035 0.43824 3.87597
154 2XGT NSS 0.0000002873 0.47462 3.90805
155 2HGZ PBF 0.003006 0.42146 3.92157
156 3E9I XAH 0.000000005319 0.7411 3.93013
157 3WCS MAN NAG 0.0002776 0.45253 3.93013
158 3WCS MAN NAG GAL 0.002922 0.40143 3.93013
159 4L3L 5FI 0.01664 0.41467 3.94737
160 1ULE GLA GAL NAG 0.00006868 0.49354 4
161 1GQG DCD 0.01295 0.41158 4
162 1JA9 NDP 0.00269 0.46298 4.0146
163 1JA9 PYQ 0.01365 0.40059 4.0146
164 2NCD ADP 0.004805 0.40871 4.04762
165 1VR0 3SL 0.001577 0.40463 4.04858
166 4JEJ 1GP 0.001113 0.40952 4.09836
167 3UEC ALA ARG TPO LYS 0.009183 0.40849 4.10959
168 1TDF FAD 0.001258 0.46288 4.11392
169 1TDF NAP 0.002882 0.46288 4.11392
170 4F8L GAL 0.01083 0.43556 4.13793
171 3ZY6 GFB 0.002576 0.41892 4.14365
172 2NVK NAP 0.0003954 0.44641 4.14847
173 4WBD ADP 0.002169 0.43641 4.14847
174 1R27 MGD 0.003659 0.43277 4.14847
175 4WBD CIT 0.01148 0.4105 4.14847
176 3K8D CTP 0.002955 0.43094 4.16667
177 1GVF PGH 0.002156 0.4171 4.1958
178 1EB9 HBA 0.0008036 0.41408 4.19847
179 3RK0 AMP 0.001079 0.41007 4.21941
180 1C1L GAL BGC 0.0002342 0.47939 4.37956
181 3IHB GLU 0.002363 0.43476 4.38596
182 3REU ATP 0.00000002766 0.67626 4.42177
183 2EFJ SAH 0.0004938 0.44059 4.42708
184 1V6A TRE 0.0007415 0.44218 4.51807
185 12AS AMP 0.00001425 0.56508 4.54545
186 2X2T GAL NGA 0.001824 0.4562 4.57516
187 2YIV YIV 0.000695 0.46698 4.58515
188 3AHC TPP 0.0008447 0.45151 4.58515
189 2YIV NBN 0.002534 0.43341 4.58515
190 1PU7 39A 0.008826 0.41432 4.58716
191 1QO0 BMD 0.001079 0.44239 4.59184
192 2VDJ HSE 0.01244 0.40887 4.65116
193 1BTN I3P 0.001579 0.47718 4.71698
194 2VAR KDG 0.0007602 0.41515 4.79233
195 2VAR KDF 0.001761 0.40172 4.79233
196 2H6B 3C4 0.04154 0.40154 4.8
197 3U7Y FLC 0.007754 0.44712 4.80349
198 4IOK ADP 0.011 0.40175 4.80349
199 3ZJX BOG 0.01648 0.4049 4.84429
200 1WRA PC 0.009615 0.4076 4.87013
201 2XI7 XI7 0.002851 0.46648 4.8913
202 1R37 NAD 0.001463 0.44707 4.89914
203 3FPZ AHZ 0.006428 0.4504 4.90798
204 1RYD GLC 0.0002627 0.46862 4.90956
205 2OHV NHL 0.002331 0.41024 4.92424
206 1QKQ MAN 0.001768 0.43652 4.92958
207 3PLN U5P 0.001638 0.42185 4.95283
208 3RKR NAP 0.001005 0.41067 4.96183
209 2HGS ADP 0.0009437 0.43799 5.02183
210 1RY2 AMP 0.009769 0.40242 5.02183
211 1A69 FMB 0.01203 0.42969 5.04202
212 1A5V Y3 0.0001169 0.47525 5.06329
213 1FP1 SAH 0.002568 0.41084 5.10753
214 2Q1A 2KT 0.005064 0.41364 5.11945
215 3E5P PPI 0.004242 0.47449 5.12129
216 4M51 BEZ 0.009337 0.41467 5.15223
217 3CBG 4FE 0.001801 0.46614 5.17241
218 4RPM HXC 0.00523 0.45244 5.17241
219 3CBG FER 0.0154 0.4113 5.17241
220 3U1T MLI 0.001166 0.44839 5.17799
221 1POC GEL 0.0003467 0.40424 5.22388
222 1WHT BZS 0.0002802 0.46743 5.22876
223 4PTZ FMN 0.0001946 0.4059 5.2356
224 3GEG NAD 0.002264 0.43108 5.26316
225 2JBH 5GP 0.0008647 0.42681 5.33333
226 2QIA U20 0.02527 0.4102 5.34351
227 1I0Z OXM 0.006842 0.42841 5.40541
228 3SIX GDP 0.0006197 0.41853 5.45852
229 2FWP CIT 0.008764 0.41104 5.46448
230 2YBQ SAH 0.0003134 0.45275 5.47945
231 2YBQ UP2 0.001574 0.44817 5.47945
232 3I8T LBT 0.005264 0.40166 5.4878
233 3BXF FBP 0.01495 0.40518 5.4902
234 3S2Y FMN 0.0005736 0.43571 5.52764
235 1HFA PIO 0.001272 0.46037 5.53633
236 3U5S FAD 0.005437 0.40616 5.55556
237 1NZY BCA 0.0009494 0.44642 5.57621
238 1YAG ATP 0.004103 0.41443 5.6
239 3PJU C2E 0.002114 0.43078 5.62249
240 1UOU CMU 0.00004942 0.44647 5.67686
241 1SC3 MLI 0.00175 0.4484 5.68182
242 3LST SAH 0.0004835 0.41277 5.74713
243 3I7S PYR 0.01037 0.41255 5.82192
244 3W8S GSH 0.007265 0.40129 5.82524
245 3G1Z AMP 0.0000000007369 0.73375 5.82822
246 1NX4 AKG 0.000683 0.40606 5.86081
247 3L24 GOA 0.005319 0.43371 5.8952
248 1YOE RIB 0.0008432 0.42723 5.90062
249 2XK9 XK9 0.0047 0.4259 5.90062
250 2V5K OXM 0.01493 0.40665 5.92335
251 1Y75 NAG 0.002087 0.41209 5.9322
252 2GDZ NAD 0.0001436 0.48307 5.99251
253 2BLE 5GP 0.0009077 0.47855 5.99455
254 1RYI GOA 0.02828 0.42077 6.02094
255 3CXO 1N5 0.004604 0.42259 6.0241
256 3CXO 3LR 0.006931 0.41266 6.0241
257 4BAS GNP 0.002069 0.42267 6.03015
258 2HW1 FRU 0.002882 0.41787 6.04027
259 4FGC PQ0 0.0009037 0.43864 6.06061
260 3A5Y KAA 0.0000000165 0.70603 6.08696
261 3HZL 6PC 0.003142 0.44478 6.11354
262 2JFV FLC 0.00116 0.44105 6.18557
263 1DL7 NCH 0.01665 0.42557 6.25
264 3NOJ PYR 0.001675 0.42447 6.30252
265 1JN2 SFP 0.02343 0.42341 6.32911
266 1H16 DTL 0.006314 0.4301 6.33188
267 1H16 PYR 0.009879 0.41354 6.33188
268 2NLI FMN 0.007897 0.43067 6.52174
269 2NLI LAC 0.007897 0.43067 6.52174
270 1C3V PDC 0.003349 0.41518 6.53061
271 3F81 STT 0.0001282 0.51194 6.55738
272 2HFK E4H 0.0008511 0.43317 6.58307
273 4LSJ LSJ 0.005603 0.40564 6.58915
274 2PTZ PAH 0.004616 0.4011 6.71296
275 1JBW ACQ 0.01435 0.4204 6.7757
276 3S9K CIT 0.002314 0.46351 6.77966
277 1QS0 TDP 0.002302 0.41894 6.80473
278 4Q3F TLA 0.007142 0.40723 6.83761
279 1E7S NAP 0.00235 0.43595 6.85358
280 1U5R ATP 0.0007832 0.40029 6.89655
281 1O68 KIV 0.0001877 0.45929 6.90909
282 3ZLM ANP 0.0007784 0.43521 6.91489
283 1PR9 NAP 0.0009079 0.4544 6.96721
284 3JQM GTP 0.001168 0.42179 7.00637
285 1Y2W NAG 0.0005855 0.45374 7.04225
286 2XBP ATP 0.02013 0.41006 7.07965
287 1F1V DHY 0.003302 0.40441 7.12074
288 4M5P MLA 0.001642 0.46818 7.12531
289 4M5P 23W 0.01046 0.41239 7.12531
290 2WCV FUC 0.002715 0.40769 7.14286
291 3O03 GCO 0.0003847 0.48888 7.2165
292 1I1Q TRP 0.0002647 0.44657 7.29167
293 2DTJ THR 0.00171 0.41009 7.30337
294 2QLX RM4 0.0106 0.40572 7.40741
295 1OFH ADP 0.02113 0.41673 7.47126
296 1IYE PGU 0.006609 0.41611 7.76699
297 3DAG FEG 0.004508 0.41597 7.82123
298 3VC3 C6P 0.0219 0.4047 7.84884
299 3ZPG 5GP 0.01706 0.40914 7.8534
300 4TMK T5A 0.0000658 0.5002 7.98122
301 1ZJ6 G3D 0.001474 0.40477 8.02139
302 1GU3 BGC BGC BGC BGC BGC 0.002839 0.41234 8.05369
303 4W6Z ETF 0.005607 0.4326 8.06916
304 1CBF SAH 0.0002334 0.41642 8.07018
305 1Y7P RIP 0.006362 0.42242 8.07175
306 1XHL NDP 0.002808 0.43275 8.08081
307 4R33 SAH 0.0005348 0.46395 8.09524
308 4R33 TRP 0.0005348 0.46395 8.09524
309 1IS3 LAT 0.000137 0.40604 8.14815
310 3GJB AKG 0.0004021 0.43959 8.15047
311 3U4C NDP 0.0002311 0.473 8.18505
312 4B16 NAG 0.001817 0.46594 8.27068
313 3Q9T FAY 0.009971 0.41648 8.31889
314 4K7O EKZ 0.0008832 0.45377 8.33333
315 1Y9Q MED 0.000698 0.45048 8.33333
316 3NEM ATP 0.00000001588 0.67161 8.44749
317 3NEM AMO 0.00000003205 0.50497 8.44749
318 1SS4 GSH 0.0005346 0.50703 8.49673
319 1SS4 CIT 0.01555 0.40843 8.49673
320 4N7C AEF 0.001704 0.44108 8.52273
321 3PNL ADP 0.001583 0.42911 8.53081
322 3TKA CTN 0.001584 0.48145 8.64553
323 3R51 MMA 0.004976 0.43511 8.75
324 4EXO PYR 0.003405 0.43501 8.90411
325 2CKM AA7 0.002389 0.44598 8.95197
326 1AUA BOG 0.001731 0.4209 9.12162
327 4IS0 1R4 0.004691 0.41043 9.12863
328 1V7R CIT 0.01017 0.42801 9.13978
329 2OFE NAG 0.000306 0.46579 9.15493
330 2OFD NGA 0.0004442 0.45887 9.15493
331 2IMG MLT 0.02688 0.42056 9.27152
332 1T0S BML 0.006018 0.42354 9.30233
333 2CJA ATP 0.0000004834 0.55967 9.38865
334 3ACC 5GP 0.0004591 0.42429 9.39227
335 3I6B KDO 0.001592 0.42234 9.44444
336 1WUR 8DG 0.0004428 0.45098 9.54545
337 3ERR AMP 0.000001816 0.57936 9.60699
338 1H2K OGA 0.01009 0.40078 9.7561
339 1DBT U5P 0.0002616 0.40005 10.0418
340 2CJ9 SSA 0.0000002612 0.63276 10.0437
341 2PYU IMP 0.002831 0.41819 10.0457
342 4JCA CIT 0.003922 0.44901 10.1796
343 1TH8 ADP 0.002234 0.40577 10.3448
344 1NHK CMP 0.01268 0.4019 10.4167
345 2VQ5 LDP 0.0006341 0.4784 10.4478
346 2VQ5 HBA 0.001473 0.44389 10.4478
347 1SES AMP 0.000000204 0.63014 10.4513
348 1SES AHX 0.000001236 0.54227 10.4513
349 3T2W BTN 0.0005077 0.42971 10.6557
350 1B7Y FYA 0.000001436 0.46099 10.6987
351 3BY8 MLT 0.000124 0.49166 11.2676
352 2QHV OC9 0.007785 0.4108 11.4286
353 1FIQ MTE 0.001099 0.44683 11.8721
354 1FIQ SAL 0.001284 0.44683 11.8721
355 1FIQ FAD 0.003698 0.43025 11.8721
356 1QH9 LAC 0.006301 0.40957 12.069
357 1B74 DGN 0.008338 0.41696 12.2047
358 1JGS SAL 0.008181 0.44207 12.3188
359 1UW1 ADP 0.001042 0.43609 12.5
360 3A5Z KAA 0.00000005328 0.6835 12.5654
361 3GM5 CIT 0.004669 0.41515 12.5786
362 2O66 FLC 0.004108 0.41152 12.5926
363 4G1V FAD 0.01104 0.40306 12.782
364 4LFL TG6 0.00146 0.41265 12.963
365 1YOA FMN 0.004059 0.45831 13.2075
366 4AF5 CIT 0.0007802 0.44841 13.6842
367 1MXI SAH 0.00008342 0.42305 13.75
368 2AZ3 CDP 0.00544 0.40108 14.0244
369 1T57 FMN 0.002246 0.4231 14.0777
370 1JAC AMG 0.01385 0.42118 14.2857
371 1UO5 PIH 0.0008604 0.49417 14.7059
372 1UO4 PIH 0.00398 0.4487 14.7059
373 3CL7 HYN 0.003785 0.41746 15.2597
374 4JWX 1N4 0.001724 0.42097 15.3571
375 1NVU GTP 0.04484 0.40004 15.6627
376 1PTR PRB 0.001358 0.44547 16
377 1NCQ W11 0.01321 0.40601 16.1017
378 2P4T NAP 0.01146 0.40622 16.129
379 1H8P PC 0.007032 0.42784 16.5138
380 2Q97 ATP 0.001692 0.42796 17.0543
381 3MF2 AMP 0.0000004088 0.50555 17.341
382 3EYK EYK 0.004006 0.418 17.4419
383 1TUV VK3 0.01554 0.41111 18.4211
384 3CF6 SP1 0.0008975 0.40072 19.1617
385 3UH0 TSB 0.0000005033 0.63019 20.0873
386 1TU3 GNP 0.002371 0.4272 20.2532
387 1H8G CHT 0.005531 0.45114 22.1053
388 2ALG DAO 0.007649 0.40036 23.913
389 3O9L LPN 0.03984 0.40564 24.6988
390 1OGD RIP 0.002295 0.41602 27.4809
391 3SJ0 DXC 0.004571 0.422 29.5775
392 4H2V AMP 0.0000003793 0.63083 32.7273
393 4H2W AMP 0.0000002209 0.57208 33.0097
394 4H2X G5A 0.000000367 0.5384 33.0097
395 4H2W 5GP 0.00000168 0.52554 33.0097
396 4GYW UDP 0.01393 0.40389 35.7143
Pocket No.: 2; Query (leader) PDB : 2I4O; Ligand: ATP; Similar sites found: 15
This union binding pocket(no: 2) in the query (biounit: 2i4o.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5WRJ A3P 0.009311 0.42024 1.9802
2 5UIU 8CG 0.009082 0.42796 2.47678
3 4YLL 4E3 0.01371 0.41035 2.77008
4 1KBI PYR 0.0268 0.40163 2.83843
5 5W3Y ACO 0.008801 0.41727 3.40909
6 3IOI 1GW 0.03377 0.40249 4.02685
7 3HCH RSM 0.01197 0.41503 4.10959
8 4L9I 8PR 0.003123 0.40145 4.14847
9 5TCI MLI 0.008862 0.41331 7.24638
10 2X4Z X4Z 0.03825 0.40076 7.43243
11 5GM9 CBK 0.02403 0.40778 11.2676
12 3D91 REM 0.03325 0.42385 12.0235
13 5VAD 91Y 0.000002477 0.42616 15.9389
14 2GAG NAD 0.04679 0.40012 30.303
15 4HWS 1B3 0.000002143 0.40175 41.3625
Pocket No.: 3; Query (leader) PDB : 2I4O; Ligand: ATP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 2i4o.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Feedback