-->
Receptor
PDB id Resolution Class Description Source Keywords
2J3M 2.3 Å EC: 6.1.1.15 PROLYL-TRNA SYNTHETASE FROM ENTEROCOCCUS FAECALIS COMPLEXED WITH ATP, MANGANESE AND PROLINOL ENTEROCOCCUS FAECALIS BACTERIAL-TYPE PROLYL-TRNA SYNTHETASE CLASS II AMINOACYL- TRNA SYNTHETASE EDITING TRANSLATION ATP + L-PROLINE + TRNA (PRO) GIVES AMP + PPI + L-PROLYL-TRNA(PRO) LIGASE
Ref.: STRUCTURES OF TWO BACTERIAL PROLYL-TRNA SYNTHETASES WITH AND 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:701;
B:701;
Valid;
Valid;
none;
none;
submit data
507.181 C10 H16 N5 O13 P3 c1nc(...
MN A:1567;
A:1568;
B:1567;
B:1568;
B:1569;
B:1570;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
submit data
54.938 Mn [Mn+2...
PRI A:1566;
B:1566;
Valid;
Valid;
none;
none;
submit data
99.131 C5 H9 N O C1C[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2J3M 2.3 Å EC: 6.1.1.15 PROLYL-TRNA SYNTHETASE FROM ENTEROCOCCUS FAECALIS COMPLEXED WITH ATP, MANGANESE AND PROLINOL ENTEROCOCCUS FAECALIS BACTERIAL-TYPE PROLYL-TRNA SYNTHETASE CLASS II AMINOACYL- TRNA SYNTHETASE EDITING TRANSLATION ATP + L-PROLINE + TRNA (PRO) GIVES AMP + PPI + L-PROLYL-TRNA(PRO) LIGASE
Ref.: STRUCTURES OF TWO BACTERIAL PROLYL-TRNA SYNTHETASES WITH AND WITHOUT A CIS-EDITING DOMAIN. STRUCTURE V. 14 1511 2006
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2J3L - P5A C15 H21 N7 O7 S c1nc(c2c(n....
2 2J3M - PRI C5 H9 N O C1C[C@H](N....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2J3L - P5A C15 H21 N7 O7 S c1nc(c2c(n....
2 2J3M - PRI C5 H9 N O C1C[C@H](N....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2J3L - P5A C15 H21 N7 O7 S c1nc(c2c(n....
2 2J3M - PRI C5 H9 N O C1C[C@H](N....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ATP; Similar ligands found: 422
No: Ligand ECFP6 Tc MDL keys Tc
1 HEJ 1 1
2 ATP 1 1
3 5FA 0.985507 1
4 AQP 0.985507 1
5 AP5 0.927536 0.971831
6 B4P 0.927536 0.971831
7 BA3 0.913043 0.971831
8 ADP 0.9 1
9 A2D 0.884058 0.971831
10 AGS 0.84 0.945946
11 SAP 0.84 0.945946
12 6YZ 0.833333 0.972222
13 AT4 0.810811 0.958904
14 AN2 0.810811 0.985915
15 25L 0.809524 0.985915
16 AR6 0.802632 0.971831
17 APR 0.802632 0.971831
18 M33 0.8 0.958333
19 ACQ 0.794872 0.972222
20 TAT 0.794872 0.958904
21 T99 0.794872 0.958904
22 AD9 0.792208 0.972222
23 ACP 0.789474 0.972222
24 AMP 0.788732 0.971429
25 A 0.788732 0.971429
26 ANP 0.772152 0.972222
27 CA0 0.753247 0.945205
28 ADX 0.753247 0.873418
29 A22 0.746988 0.985915
30 50T 0.74359 0.958333
31 PRX 0.734177 0.893333
32 APC 0.734177 0.958904
33 ABM 0.733333 0.917808
34 ATF 0.731707 0.958904
35 ITT 0.730769 0.943662
36 7D4 0.730769 0.905405
37 ADQ 0.729412 0.945205
38 A3R 0.729412 0.907895
39 AP2 0.714286 0.958904
40 A12 0.714286 0.958904
41 A1R 0.709302 0.907895
42 SRA 0.706667 0.918919
43 5AL 0.698795 0.931507
44 HFD 0.695122 0.945946
45 9X8 0.693182 0.92
46 OAD 0.693182 0.945205
47 AU1 0.6875 0.972222
48 SRP 0.682353 0.906667
49 G5P 0.680851 0.921053
50 25A 0.678161 0.971831
51 3OD 0.677778 0.945205
52 4AD 0.670455 0.92
53 G3A 0.670213 0.921053
54 00A 0.662921 0.883117
55 RBY 0.662651 0.932432
56 ADP PO3 0.662651 0.943662
57 ADV 0.662651 0.932432
58 BIS 0.659341 0.933333
59 8QN 0.659091 0.931507
60 5SV 0.659091 0.848101
61 OOB 0.659091 0.931507
62 GTA 0.65625 0.886076
63 UP5 0.653061 0.92
64 AMO 0.651685 0.932432
65 PAJ 0.651685 0.884615
66 2A5 0.650602 0.918919
67 MAP 0.647727 0.945946
68 3AT 0.647059 0.971831
69 AHX 0.644444 0.896104
70 DLL 0.644444 0.931507
71 ATR 0.642857 0.971429
72 PAP 0.642857 0.985714
73 PTJ 0.641304 0.896104
74 7D3 0.6375 0.905405
75 3UK 0.637363 0.918919
76 SON 0.634146 0.932432
77 A4P 0.633663 0.843373
78 ALF ADP 0.632184 0.87013
79 ADP ALF 0.632184 0.87013
80 PR8 0.630435 0.85
81 WAQ 0.630435 0.883117
82 LAD 0.630435 0.860759
83 B5V 0.630435 0.906667
84 AFH 0.628866 0.884615
85 LMS 0.628205 0.82716
86 GAP 0.627907 0.893333
87 DTP 0.627907 0.905405
88 VO4 ADP 0.625 0.931507
89 ADP VO4 0.625 0.931507
90 TXA 0.623656 0.932432
91 ME8 0.623656 0.839506
92 1ZZ 0.623656 0.839506
93 NB8 0.623656 0.896104
94 FYA 0.623656 0.905405
95 DQV 0.622449 0.958333
96 T5A 0.621359 0.841463
97 ADN 0.619718 0.84507
98 RAB 0.619718 0.84507
99 XYA 0.619718 0.84507
100 DAL AMP 0.611111 0.905405
101 9SN 0.610526 0.871795
102 48N 0.61 0.896104
103 AP0 0.607843 0.896104
104 9ZD 0.604396 0.907895
105 9ZA 0.604396 0.907895
106 FA5 0.604167 0.906667
107 B5M 0.604167 0.894737
108 YAP 0.604167 0.894737
109 B5Y 0.604167 0.894737
110 NAI 0.60396 0.907895
111 6V0 0.60396 0.896104
112 TXD 0.60396 0.907895
113 DND 0.60396 0.932432
114 NXX 0.60396 0.932432
115 NAX 0.60396 0.873418
116 ADP BMA 0.602151 0.918919
117 A2R 0.6 0.985915
118 OMR 0.598039 0.851852
119 TXE 0.598039 0.907895
120 XAH 0.597938 0.839506
121 7DT 0.593023 0.985714
122 AOC 0.592593 0.821918
123 4UV 0.591837 0.894737
124 DDS 0.590909 0.878378
125 139 0.590476 0.873418
126 CNA 0.584906 0.932432
127 6AD 0.58427 0.909091
128 5AS 0.583333 0.77907
129 5N5 0.581081 0.819444
130 GA7 0.58 0.906667
131 4UU 0.58 0.894737
132 4TC 0.576923 0.896104
133 ADJ 0.575472 0.851852
134 5CD 0.573333 0.805556
135 A4D 0.573333 0.819444
136 RGT 0.571429 0.958904
137 A3P 0.571429 0.971429
138 7D5 0.56962 0.878378
139 LAQ 0.568627 0.839506
140 F2R 0.564815 0.864198
141 80F 0.563636 0.841463
142 YLP 0.563107 0.819277
143 A A 0.5625 0.944444
144 UPA 0.561905 0.907895
145 AV2 0.56044 0.917808
146 COD 0.559633 0.811765
147 4UW 0.557692 0.860759
148 JB6 0.556701 0.883117
149 3AM 0.555556 0.929577
150 ATP A A A 0.555556 0.930556
151 A2P 0.552941 0.957143
152 TYM 0.552381 0.906667
153 NA7 0.552083 0.958904
154 EP4 0.551282 0.753247
155 MYR AMP 0.55102 0.817073
156 PPS 0.549451 0.873418
157 YLC 0.54717 0.839506
158 YLB 0.54717 0.819277
159 NAD 0.545455 0.931507
160 DAT 0.545455 0.905405
161 TYR AMP 0.544554 0.87013
162 G5A 0.544444 0.77907
163 M2T 0.544304 0.734177
164 DTA 0.544304 0.786667
165 3DH 0.54321 0.773333
166 128 0.542857 0.776471
167 AHZ 0.538462 0.817073
168 GTP 0.537634 0.92
169 SSA 0.537634 0.8
170 MTA 0.5375 0.773333
171 IOT 0.537037 0.831325
172 A3D 0.535714 0.918919
173 ARG AMP 0.533981 0.829268
174 7MD 0.533981 0.8625
175 AR6 AR6 0.533981 0.917808
176 YLA 0.53211 0.819277
177 AMP DBH 0.529412 0.893333
178 IMO 0.529412 0.929577
179 TAD 0.528846 0.884615
180 AYB 0.527273 0.809524
181 A5A 0.526882 0.807229
182 HDV 0.526882 0.893333
183 TSB 0.526316 0.819277
184 EAD 0.525424 0.873418
185 2AM 0.52439 0.943662
186 6RE 0.52381 0.759494
187 7DD 0.522727 0.985714
188 V3L 0.521739 0.971831
189 AVV 0.520833 0.896104
190 BTX 0.517857 0.841463
191 NAE 0.517241 0.894737
192 52H 0.515789 0.77907
193 54H 0.515789 0.788235
194 VMS 0.515789 0.788235
195 NSS 0.515464 0.8
196 BT5 0.513274 0.831325
197 NAQ 0.512821 0.871795
198 ZAS 0.511905 0.766234
199 J7C 0.511628 0.769231
200 A3N 0.511628 0.786667
201 5X8 0.511111 0.763158
202 53H 0.510417 0.77907
203 8X1 0.510417 0.752809
204 5CA 0.510417 0.8
205 NVA LMS 0.510204 0.752809
206 ARU 0.510204 0.860759
207 AF3 ADP 3PG 0.509259 0.8375
208 ZID 0.508475 0.918919
209 P1H 0.508197 0.851852
210 OVE 0.505882 0.905405
211 S4M 0.505747 0.666667
212 LEU LMS 0.50505 0.752809
213 LPA AMP 0.504673 0.817073
214 7MC 0.504587 0.841463
215 DZD 0.5 0.884615
216 FB0 0.5 0.804598
217 MAO 0.5 0.759036
218 DSZ 0.5 0.8
219 LSS 0.5 0.761364
220 DSH 0.5 0.725
221 P5A 0.5 0.744444
222 NDE 0.495935 0.932432
223 N0B 0.495798 0.819277
224 M24 0.495726 0.85
225 YLY 0.495726 0.809524
226 NJP 0.495575 0.945946
227 9K8 0.49505 0.714286
228 MGP 0.494737 0.884615
229 6C6 0.494624 0.881579
230 NAJ PZO 0.491379 0.848101
231 0WD 0.491228 0.921053
232 6G0 0.489583 0.884615
233 GJV 0.488636 0.75
234 6FA 0.488189 0.841463
235 5AD 0.486842 0.746479
236 KAA 0.485149 0.752809
237 GSU 0.485149 0.77907
238 71V 0.483146 0.907895
239 NEC 0.482759 0.746667
240 A3G 0.482759 0.8
241 ODP 0.482456 0.909091
242 FAS 0.48062 0.851852
243 FAD 0.48062 0.851852
244 7D7 0.480519 0.743243
245 FDA 0.480315 0.833333
246 N6P 0.48 0.915493
247 2SA 0.479167 0.932432
248 GP3 0.478723 0.921053
249 4TA 0.478261 0.807229
250 SFG 0.478261 0.75
251 G A A A 0.478261 0.871795
252 AMP NAD 0.478261 0.905405
253 NPW 0.477876 0.886076
254 NDP 0.477876 0.921053
255 NDC 0.47619 0.871795
256 YSA 0.47619 0.77907
257 NAJ PYZ 0.475 0.807229
258 MGO 0.474227 0.860759
259 GDP 0.473684 0.92
260 NZQ 0.473684 0.909091
261 TXP 0.473684 0.921053
262 6IA 0.473684 0.8375
263 A7D 0.472527 0.776316
264 SFD 0.469231 0.734043
265 A5D 0.468085 0.786667
266 SA8 0.468085 0.707317
267 ZDA 0.468085 0.864865
268 12D 0.46789 0.785714
269 PGS 0.467391 0.883117
270 MHZ 0.467391 0.697674
271 8PZ 0.466667 0.8
272 62F 0.466165 0.8625
273 DA 0.465909 0.878378
274 D5M 0.465909 0.878378
275 GGZ 0.464646 0.825
276 SAH 0.463158 0.74359
277 SAI 0.463158 0.734177
278 FAY 0.462687 0.8625
279 Y3J 0.4625 0.726027
280 PO4 PO4 A A A A PO4 0.460784 0.902778
281 AAM 0.460674 0.971429
282 RFL 0.459259 0.821429
283 SMM 0.459184 0.686047
284 HF7 0.459184 0.893333
285 AMZ 0.458824 0.916667
286 C2R 0.458824 0.90411
287 SAM 0.458333 0.690476
288 A3S 0.456522 0.810811
289 FNK 0.455224 0.804598
290 U A 0.453782 0.907895
291 7C5 0.453704 0.818182
292 EEM 0.453608 0.690476
293 AAT 0.453608 0.707317
294 XNP 0.452991 0.873418
295 A G 0.452991 0.883117
296 PRT 0.45283 0.931507
297 AIR 0.451219 0.901408
298 62X 0.45098 0.666667
299 DCA 0.45 0.823529
300 ETB 0.45 0.833333
301 GSP 0.45 0.873418
302 U A G G 0.449153 0.883117
303 NIA 0.448276 0.822785
304 A3T 0.446809 0.821918
305 A A A 0.446602 0.905405
306 K15 0.446602 0.682353
307 PUA 0.446281 0.884615
308 6K6 0.445545 0.930556
309 GEK 0.445545 0.7375
310 4YB 0.445455 0.761364
311 S7M 0.444444 0.690476
312 Z5A 0.443548 0.77907
313 1DG 0.443548 0.921053
314 DG1 0.443548 0.921053
315 0T1 0.442623 0.823529
316 COA 0.442623 0.823529
317 WSA 0.442478 0.788235
318 8BR 0.43956 0.906667
319 8Q2 0.438596 0.772727
320 101 0.438202 0.878378
321 IDP 0.4375 0.918919
322 NVA 2AD 0.4375 0.759494
323 9JJ 0.435714 0.8625
324 NAP 0.435484 0.945205
325 APU 0.434783 0.894737
326 A U 0.434783 0.87013
327 7RP 0.433333 0.928571
328 A6D 0.432692 0.722892
329 AMX 0.432 0.833333
330 J7V 0.432 0.833333
331 TAP 0.432 0.907895
332 COS 0.432 0.804598
333 CAO 0.432 0.795455
334 30N 0.432 0.752688
335 V1N 0.431193 0.917808
336 649 0.429825 0.744444
337 P5F 0.429577 0.823529
338 NA0 0.428571 0.932432
339 SCO 0.428571 0.823529
340 CMX 0.428571 0.823529
341 7RA 0.428571 0.957747
342 0UM 0.427184 0.698795
343 GAV 0.427184 0.884615
344 QQY 0.426966 0.815789
345 1RB 0.426966 0.885714
346 ACK 0.426966 0.861111
347 G1R 0.425743 0.907895
348 GCP 0.425743 0.896104
349 FAM 0.425197 0.804598
350 FCX 0.425197 0.795455
351 ACO 0.425197 0.795455
352 GNH 0.424242 0.907895
353 F2N 0.423611 0.813953
354 GKE 0.422018 0.884615
355 GDD 0.422018 0.884615
356 GDC 0.422018 0.884615
357 HAX 0.421875 0.804598
358 3AD 0.421687 0.805556
359 9GM 0.421569 0.896104
360 GNP 0.421569 0.896104
361 FA9 0.42069 0.864198
362 TM1 0.420561 0.77381
363 KB1 0.420561 0.698795
364 H6Y 0.42 0.945205
365 2MC 0.419847 0.769231
366 3KK 0.418605 0.804598
367 FYN 0.418605 0.823529
368 S8M 0.417476 0.759494
369 7L1 0.417323 0.795455
370 2VA 0.416667 0.8
371 26A 0.416667 0.763158
372 NHD 0.416667 0.905405
373 QQX 0.41573 0.805195
374 CA6 0.415385 0.729167
375 OXK 0.415385 0.804598
376 COK 0.415385 0.804598
377 SOP 0.415385 0.804598
378 MCD 0.415385 0.804598
379 YE1 0.413534 0.813953
380 RMB 0.413043 0.873239
381 FAI 0.413043 0.916667
382 AS 0.413043 0.833333
383 CO6 0.412214 0.804598
384 1VU 0.412214 0.795455
385 CMC 0.412214 0.804598
386 NMX 0.412214 0.76087
387 SXZ 0.411215 0.710843
388 ANZ 0.410714 0.8
389 SCA 0.410448 0.804598
390 CAJ 0.409091 0.804598
391 SCD 0.409091 0.823529
392 EO7 0.408602 0.788235
393 D3Y 0.407767 0.789474
394 CC5 0.407407 0.816901
395 KH3 0.40708 0.674419
396 A C A C 0.406504 0.848101
397 SLU 0.406504 0.770115
398 G 0.40625 0.906667
399 5GP 0.40625 0.906667
400 A1S 0.406015 0.804598
401 IVC 0.406015 0.813953
402 MLC 0.406015 0.804598
403 3HC 0.406015 0.813953
404 1HE 0.406015 0.786517
405 BCO 0.406015 0.804598
406 GTG 0.405405 0.886076
407 NMN AMP PO4 0.404959 0.87013
408 3D1 0.404762 0.773333
409 3L1 0.404762 0.773333
410 2BA 0.404255 0.915493
411 CMP 0.404255 0.901408
412 VRT 0.40404 0.769231
413 SO8 0.40404 0.789474
414 MCA 0.402985 0.795455
415 COO 0.402985 0.804598
416 CAA 0.402985 0.813953
417 3NZ 0.401869 0.782051
418 G2R 0.401869 0.884615
419 ZZB 0.4 0.77381
420 2FA 0.4 0.813333
421 MC4 0.4 0.76087
422 2CP 0.4 0.795455
Ligand no: 2; Ligand: PRI; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 PRI 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2J3M; Ligand: ATP; Similar sites found with APoc: 171
This union binding pocket(no: 1) in the query (biounit: 2j3m.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1VBH PEP 1.04895
2 4PQG NAG 1.36986
3 3BJU ATP 1.53551
4 2ZTG A5A 1.57343
5 5BSR AMP 1.66052
6 4L80 OXL 1.72414
7 5W75 SUC 1.78571
8 5YJS SAL 1.79487
9 1SDW IYT 1.91083
10 3VSV XYP 1.92308
11 1E1O LYS 1.98413
12 4L9I 8PR 1.98413
13 4MOB ADP 2.10843
14 2VL1 GLY GLY 2.1097
15 5G48 1FL 2.13904
16 3G2Y GF4 2.28137
17 5FWJ MMK 2.33546
18 1YQT ADP 2.41636
19 5H9Y BGC BGC BGC BGC 2.47748
20 3HXU A5A 2.49433
21 5V59 8X1 2.52632
22 1X54 4AD 2.53456
23 3T4L ZEA 2.59259
24 6E1Q CFA 2.62238
25 1P7T PYR 2.62238
26 4L9Z OXL 2.65487
27 3ACL 3F1 2.7027
28 2XGT NSS 2.75862
29 2CYB TYR 2.78638
30 1LSH PLD 2.82132
31 4YRI 4JH 2.85088
32 1M5W DXP 2.88066
33 2P7Q GG6 3.00752
34 5FUI APY 3.0303
35 3E9I XAH 3.0426
36 5KJW 53C 3.0445
37 4GID 0GH 3.09278
38 3UPY FOM 3.14607
39 4Y24 TD2 3.24675
40 12AS AMP 3.33333
41 5IVE 6E8 3.33333
42 4HIA FMN 3.40909
43 5JJU AMP 3.52941
44 4FE2 AIR 3.52941
45 4D79 ATP 3.62319
46 3LKF PC 3.67893
47 1HXD BTN 3.73832
48 5XQW 8EU 3.79147
49 1QH5 GSH 3.84615
50 1QH5 GBP 3.84615
51 2GK6 ADP 3.84615
52 1G51 AMO 4.02098
53 2HZQ STR 4.02299
54 5EJL C2E 4.03226
55 5VCM UDP 4.05728
56 3A16 PXO 4.28954
57 5F7U GLC GLC 4.37063
58 3QO8 SSA 4.53608
59 3CBC DBS 4.54545
60 4IAW LIZ 4.78723
61 1JQN DCO 4.8951
62 1YFS ALA 4.94624
63 2D6M LBT 5.03145
64 3WV6 GAL GLC 5.06757
65 3IES M24 5.08167
66 3QRC SCR 5.09554
67 6DZN AE3 5.16432
68 3QSB 743 5.19126
69 4YLZ LAT NAG GAL 5.22876
70 5KD6 6C7 5.2506
71 1B09 PC 5.33981
72 2G30 ALA ALA PHE 5.42636
73 4DS0 A2G GAL NAG FUC 5.52147
74 3NEM AMO 5.70776
75 3NEM ATP 5.70776
76 2ART LPA AMP 5.72519
77 2Z77 HE7 5.7554
78 5VM6 9EG 5.83942
79 4Z3E GAL NGA GLA BGC GAL 6.06061
80 4WOE ADP 6.11888
81 2YMZ LAT 6.15385
82 2Y6P CTP 6.41026
83 2Y91 98J 6.41509
84 1N9L FMN 6.42202
85 5LHT TIH 6.46258
86 5DG2 GAL GLC 6.66667
87 3OV6 MK0 6.80101
88 3K8D CTP 6.81818
89 3A5Y KAA 6.95652
90 1QKQ MAN 7.04225
91 6F5W KG1 7.04607
92 4BQO COA 7.05128
93 3HP8 SUC 7.27273
94 2AG4 LP3 7.31707
95 2AG4 OLA 7.31707
96 5LXT GTP 7.31707
97 3G1Z AMP 7.36196
98 2VDF OCT 7.50988
99 2PR5 FMN 7.57576
100 3NZ1 3NY 7.66284
101 2CJA ATP 7.85441
102 3WG3 A2G GAL NAG FUC 7.86517
103 2QHS OCA 8.01688
104 5C9P FUC 8.13648
105 4RLT FSE 8.16327
106 5NM7 GLY 8.27068
107 2QV7 ADP 8.30861
108 5TCI MLI 8.33333
109 2BVE PH5 8.40336
110 2CJ9 SSA 8.42912
111 2Z3U CRR 8.94118
112 2QHV OC9 9.04762
113 5U98 1KX 9.09091
114 3G08 FEE 9.12281
115 1WAP TRP 9.33333
116 3GD8 GOL 9.41704
117 4ZTD ALA GLY ALA GLY ALA 9.48617
118 4H2X G5A 9.53757
119 3MF2 AMP 9.53757
120 4H2W AMP 9.53757
121 4H2W 5GP 9.53757
122 3H0L ADP 9.62343
123 4RF7 ARG 9.96504
124 1SES AHX 9.97625
125 1SES AMP 9.97625
126 4XTX 590 10
127 2HIM ASP 10.0559
128 2HIM ASN 10.0559
129 6GVZ CHO 10.1639
130 1DZK PRZ 10.1911
131 5SVV FMN 10.219
132 5WL1 D3D 10.3333
133 5WL1 CUY 10.3333
134 3ERR AMP 10.6343
135 2YKL NLD 10.6481
136 4RHS SIA SIA GAL 10.6557
137 6GNO XDI 11.1111
138 1B7Y FYA 11.1429
139 6AC9 ANP 11.3514
140 5VAD 91Y 11.4341
141 5VAD PRO 11.4341
142 2ZQO NGA 11.5385
143 3REU ATP 11.5646
144 2Q1A 2KT 11.6041
145 3A5Z KAA 12.0419
146 2J5B TYE 12.069
147 5F6U 5VK 12.1019
148 5HWV MBN 12.3077
149 3EFS BTN 12.4464
150 2HJ4 PNZ 12.4654
151 2QL9 CIT 12.7168
152 3IWD M2T 12.9032
153 1WLE SRP 13.3733
154 2JK0 ASP 13.5385
155 3UH0 TSB 13.913
156 1Y7P RIP 14.7982
157 4HWT 1B2 15.2542
158 5ML3 DL3 15.4362
159 5XIO ANP 15.6627
160 5XIO HFG 15.6627
161 4HWS 1B3 17.0316
162 3HCH RSM 17.8082
163 1I7M CG 17.9104
164 3LQV ADE 17.9487
165 4H2V AMP 18.1818
166 2Z6C FMN 20.155
167 4CS4 ANP 20.438
168 4CS4 AXZ 20.438
169 4RYV ZEA 21.9355
170 6FOF LAT 27.551
171 5H9P TD2 34.8101
Pocket No.: 2; Query (leader) PDB : 2J3M; Ligand: PRI; Similar sites found with APoc: 201
This union binding pocket(no: 2) in the query (biounit: 2j3m.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 1VBH PEP 1.04895
2 3BJU ATP 1.53551
3 3VYK MMA MAN NAG MAN NAG NAG 1.55039
4 2ZTG A5A 1.57343
5 4WCX MET 1.66667
6 4L80 OXL 1.72414
7 5GLT BGC GAL NAG GAL 1.76056
8 5W75 SUC 1.78571
9 5YJS SAL 1.79487
10 5VKM GAL SIA 1.85185
11 1SDW IYT 1.91083
12 3VSV XYP 1.92308
13 1E1O LYS 1.98413
14 4L9I 8PR 1.98413
15 4MOB ADP 2.10843
16 2VL1 GLY GLY 2.1097
17 5G48 1FL 2.13904
18 3G2Y GF4 2.28137
19 5FWJ MMK 2.33546
20 1YQT ADP 2.41636
21 4Z87 GDP 2.47619
22 3HXU A5A 2.49433
23 5V59 8X1 2.52632
24 1X54 4AD 2.53456
25 3T4L ZEA 2.59259
26 6E1Q CFA 2.62238
27 1P7T PYR 2.62238
28 4L9Z OXL 2.65487
29 4UZI IMD 2.69058
30 3ACL 3F1 2.7027
31 2XGT NSS 2.75862
32 2CYB TYR 2.78638
33 1LSH PLD 2.82132
34 4YRI 4JH 2.85088
35 4GCZ FMN 2.85714
36 1M5W DXP 2.88066
37 2P7Q GG6 3.00752
38 5FUI APY 3.0303
39 3E9I XAH 3.0426
40 5KJW 53C 3.0445
41 5N0L ILE 3.14465
42 3UPY FOM 3.14607
43 4Y24 TD2 3.24675
44 12AS AMP 3.33333
45 2XZ9 PYR 3.39506
46 4HIA FMN 3.40909
47 5JJU AMP 3.52941
48 4FE2 AIR 3.52941
49 3GLC R5P 3.72881
50 1HXD BTN 3.73832
51 1QH5 GSH 3.84615
52 2GK6 ADP 3.84615
53 5MZN ADP 3.84615
54 5T7I LAT NAG GAL 3.87097
55 1G51 AMO 4.02098
56 4QAC KK3 4.02098
57 5VCM UDP 4.05728
58 5N5U 7N8 4.14013
59 5L2R MLA 4.1958
60 3HQP OXL 4.20842
61 5TZO 7V7 4.25532
62 3A16 PXO 4.28954
63 5F7U GLC GLC 4.37063
64 3E85 BSU 4.43038
65 3QO8 SSA 4.53608
66 3CBC DBS 4.54545
67 4WUJ FMN 4.7619
68 4IAW LIZ 4.78723
69 1JQN DCO 4.8951
70 1F9V ADP 4.89914
71 6F1J EDG 4.92308
72 1YFS ALA 4.94624
73 4D1J DGJ 5
74 2D6M LBT 5.03145
75 5NLD LBT 5.03597
76 3WV6 GAL BGC 5.06757
77 3WV6 GAL GLC 5.06757
78 3IES M24 5.08167
79 3QRC SCR 5.09554
80 2WKQ FMN 5.12048
81 3QSB 743 5.19126
82 4YLZ LAT NAG GAL 5.22876
83 1B09 PC 5.33981
84 1UYY BGC BGC 5.34351
85 2W5P CL8 5.36913
86 2G30 ALA ALA PHE 5.42636
87 4DS0 A2G GAL NAG FUC 5.52147
88 1KC7 PPR 5.59441
89 3CH8 PRO GLN PRO VAL ASP SER TRP VAL 5.64103
90 3NEM AMO 5.70776
91 3NEM ATP 5.70776
92 4R38 RBF 5.71429
93 2ART LPA AMP 5.72519
94 5VM6 9EG 5.83942
95 4Z3E GAL NGA GLA BGC GAL 6.06061
96 1B0U ATP 6.10687
97 4WOE ADP 6.11888
98 2YMZ LAT 6.15385
99 2Y91 98J 6.41509
100 1N9L FMN 6.42202
101 5LHT TIH 6.46258
102 5DG2 GAL GLC 6.66667
103 3OV6 MK0 6.80101
104 3K8D CTP 6.81818
105 1OFL NGK GCD 6.86071
106 3A5Y KAA 6.95652
107 5FPE 3TR 6.97674
108 1QKQ MAN 7.04225
109 2AG4 OLA 7.31707
110 2AG4 LP3 7.31707
111 3G1Z AMP 7.36196
112 2VDF OCT 7.50988
113 2PR5 FMN 7.57576
114 3NZ1 3NY 7.66284
115 6GW4 CHO 7.81759
116 2CJA ATP 7.85441
117 2QHS OCA 8.01688
118 3SAO DBH 8.125
119 5C9P FUC 8.13648
120 2QPU QPU 8.14815
121 2QPU QPS 8.14815
122 5NM7 GLY 8.27068
123 2QV7 ADP 8.30861
124 5TCI MLI 8.33333
125 2BVE PH5 8.40336
126 2CJ9 SSA 8.42912
127 5OCG 9R5 8.46561
128 5WS9 OXL 8.63158
129 2Z3U CRR 8.94118
130 2QHV OC9 9.04762
131 5U98 1KX 9.09091
132 3G08 FEE 9.12281
133 6FA4 D1W 9.24856
134 3GD8 GOL 9.41704
135 3MF2 AMP 9.53757
136 4H2X G5A 9.53757
137 4H2W AMP 9.53757
138 4H2W 5GP 9.53757
139 3JQ3 ADP 9.56284
140 3H0L ADP 9.62343
141 2XOM GAL GAL GAL 9.86842
142 4RF7 ARG 9.96504
143 1SES AHX 9.97625
144 1SES AMP 9.97625
145 4XTX 590 10
146 2HIM ASN 10.0559
147 2HIM ASP 10.0559
148 6GVZ CHO 10.1639
149 1DZK PRZ 10.1911
150 5SVV FMN 10.219
151 5WL1 D3D 10.3333
152 5WL1 CUY 10.3333
153 3ERR AMP 10.6343
154 2YKL NLD 10.6481
155 4RHS SIA SIA GAL 10.6557
156 3ZZQ TRP 10.7692
157 6GNO XDI 11.1111
158 1B7Y FYA 11.1429
159 5VAD 91Y 11.4341
160 5VAD PRO 11.4341
161 3REU ATP 11.5646
162 2V0U FMN 11.6438
163 5EFW FMN 11.7241
164 3RZ3 U94 12.0219
165 3A5Z KAA 12.0419
166 2J5B TYE 12.069
167 1MID LAP 12.0879
168 5F6U 5VK 12.1019
169 3ZZS TRP 12.3077
170 5HWV MBN 12.3077
171 4NG2 OHN 12.3894
172 3EFS BTN 12.4464
173 2QL9 CIT 12.7168
174 3IWD M2T 12.9032
175 1WLE SRP 13.3733
176 4LZB URA 13.4454
177 2JK0 ASP 13.5385
178 6GBV FMN 13.6986
179 5DKK FMN 13.7931
180 3UH0 TSB 13.913
181 5VNF VAL THR SER VAL VAL 14.0127
182 4EES FMN 14.7826
183 4HWT 1B2 15.2542
184 2GGX NPJ 15.625
185 5XIO ANP 15.6627
186 5XIO HFG 15.6627
187 2GTF P1R 16.1111
188 4HWS 1B3 17.0316
189 3HCH RSM 17.8082
190 1I7M CG 17.9104
191 3LQV ADE 17.9487
192 4H2V AMP 18.1818
193 2QX0 PH2 19.4969
194 2Z6C FMN 20.155
195 4CS4 ANP 20.438
196 4CS4 AXZ 20.438
197 4RYV ZEA 21.9355
198 6FOF LAT 27.551
199 2Z6D FMN 29.2308
200 5NFB 8VT 31.25
201 5H9P TD2 34.8101
Pocket No.: 3; Query (leader) PDB : 2J3M; Ligand: PRI; Similar sites found with APoc: 33
This union binding pocket(no: 3) in the query (biounit: 2j3m.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 5A3T MMK 1.4553
2 5BSR AMP 1.66052
3 5H9Y BGC BGC BGC BGC 2.47748
4 5LUN OGA 2.84091
5 4GID 0GH 3.09278
6 5IVE 6E8 3.33333
7 3TW1 AHN 3.37553
8 4D79 ATP 3.62319
9 5D9G GLU ASN LEU TYR PHE GLN 3.65854
10 4Z24 FAD 3.67133
11 3LKF PC 3.67893
12 1Q11 TYE 3.76344
13 1QH5 GBP 3.84615
14 1KGI T4A 3.93701
15 2HZQ STR 4.02299
16 6DZN AE3 5.16432
17 3B8I OXL 5.22648
18 2F9W PAU 5.53506
19 2Y6P CTP 6.41026
20 5LIA 6XN 6.46853
21 2JLD AG1 6.66667
22 3HP8 SUC 7.27273
23 5LXT GTP 7.31707
24 3WG3 A2G GAL NAG FUC 7.86517
25 1F5F DHT 9.26829
26 1WAP TRP 9.33333
27 4ZTD ALA GLY ALA GLY ALA 9.48617
28 4XCB AKG 9.57854
29 1TT8 PHB 10.9756
30 2Q1A 2KT 11.6041
31 2HJ4 PNZ 12.4654
32 1Y7P RIP 14.7982
33 5ML3 DL3 15.4362
Pocket No.: 4; Query (leader) PDB : 2J3M; Ligand: ATP; Similar sites found with APoc: 45
This union binding pocket(no: 4) in the query (biounit: 2j3m.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 3VYK MMA MAN NAG MAN NAG NAG 1.55039
2 1H5S TMP 1.70648
3 5GLT BGC GAL NAG GAL 1.76056
4 4UBS DIF 1.78117
5 5VKM GAL SIA 1.85185
6 4CNK MEU 2.55754
7 4UZI IMD 2.69058
8 4GCZ FMN 2.85714
9 3TW1 AHN 3.37553
10 2XZ9 PYR 3.39506
11 3GLC R5P 3.72881
12 5MZN ADP 3.84615
13 5T7I LAT NAG GAL 3.87097
14 2RHQ GAX 4.08163
15 5L2R MLA 4.1958
16 3HQP OXL 4.20842
17 5H9Q TD2 4.51613
18 4WUJ FMN 4.7619
19 4D1J DGJ 5
20 5NLD LBT 5.03597
21 3WV6 GAL BGC 5.06757
22 2WKQ FMN 5.12048
23 4R38 RBF 5.71429
24 6GW4 CHO 7.81759
25 3SAO DBH 8.125
26 5WS9 OXL 8.63158
27 6FA4 D1W 9.24856
28 3JQ3 ADP 9.56284
29 3ZZQ TRP 10.7692
30 3NV3 GAL NAG MAN 10.8696
31 2V0U FMN 11.6438
32 5EFW FMN 11.7241
33 1MID LAP 12.0879
34 3ZZS TRP 12.3077
35 4NG2 OHN 12.3894
36 2BS5 BGC GAL FUC 13.3333
37 4LZB URA 13.4454
38 6GBV FMN 13.6986
39 5DKK FMN 13.7931
40 5VNF VAL THR SER VAL VAL 14.0127
41 4EES FMN 14.7826
42 2GTF P1R 16.1111
43 1A78 TDG 21.6418
44 4K55 H6P 24.1935
45 2Z6D FMN 29.2308
APoc FAQ
Feedback