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Receptor
PDB id Resolution Class Description Source Keywords
1W78 1.82 Å EC: 6.3.2.12 E.COLI FOLC IN COMPLEX WITH DHPP AND ADP ESCHERICHIA COLI FOLC DHFS DIHYDROFOLATE SYNTHASE SYNTHASE ATP-BINDING FOLATE BIOSYNTHESIS LIGASE MULTIFUNCTIONAL ENZYME
Ref.: ESCHERICHIA COLI FOLC STRUCTURE REVEALS AN UNEXPECTED DIHYDROFOLATE BINDING SITE PROVIDING AN ATTRACTIVE TARGET FOR ANTI-MICROBIAL THERAPY J.BIOL.CHEM. V. 280 18916 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1425;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:1422;
A:1423;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PD8 A:1421;
Valid;
none;
submit data
392.263 C14 H13 N6 O6 P c1cc(...
SO4 A:1424;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W78 1.82 Å EC: 6.3.2.12 E.COLI FOLC IN COMPLEX WITH DHPP AND ADP ESCHERICHIA COLI FOLC DHFS DIHYDROFOLATE SYNTHASE SYNTHASE ATP-BINDING FOLATE BIOSYNTHESIS LIGASE MULTIFUNCTIONAL ENZYME
Ref.: ESCHERICHIA COLI FOLC STRUCTURE REVEALS AN UNEXPECTED DIHYDROFOLATE BINDING SITE PROVIDING AN ATTRACTIVE TARGET FOR ANTI-MICROBIAL THERAPY J.BIOL.CHEM. V. 280 18916 2005
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W78 - PD8 C14 H13 N6 O6 P c1cc(ccc1C....
2 1W7K - 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 1 families.
1 1W78 - PD8 C14 H13 N6 O6 P c1cc(ccc1C....
2 1W7K - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W78 - PD8 C14 H13 N6 O6 P c1cc(ccc1C....
2 1W7K - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
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 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
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 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Ligand no: 2; Ligand: PD8; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 PD8 1 1
2 29D 0.56 0.75
3 29C 0.56 0.75
4 28Z 0.56 0.75
5 6MB 0.520408 0.670588
6 PMM 0.4875 0.893939
7 HH2 0.464286 0.895522
8 HHR 0.454545 0.753846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W78; Ligand: ADP; Similar sites found with APoc: 107
This union binding pocket(no: 1) in the query (biounit: 1w78.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 2NCD ADP 1.42857
2 2BO4 FLC 1.51134
3 1D8C GLV 1.65975
4 6FU4 HSM 2.02899
5 1IZC PYR 2.0649
6 2AWN ADP 2.09974
7 5LB3 ADP 2.1327
8 1A8S PPI 2.1978
9 2O66 FLC 2.22222
10 2GKS ADP 2.36967
11 1P3D ANP 2.60664
12 4WBD CIT 2.60664
13 3WY9 GDP 2.60664
14 5HR5 ADP 2.60664
15 5UIV ADP 2.64317
16 2J5V PCA 2.7248
17 4B5W PYR 2.73438
18 5URY PAM 2.73973
19 1GQY ACP 2.8436
20 1YRB GDP 3.05344
21 3A4M ADP 3.07692
22 1XPJ TLA 3.1746
23 3FB4 AP5 3.24074
24 4X8O AP5 3.27103
25 4U00 ADP 3.27869
26 5YV5 ADP 3.31754
27 1YQT ADP 3.31754
28 6G47 SIA SIA 3.34928
29 4Z7X 3CX 3.36134
30 2CBZ ATP 3.37553
31 5YSQ INS 3.4965
32 3CV2 OXL 3.5545
33 2POC UD1 3.5545
34 1SVI GDP 3.58974
35 1K6M AGS 3.79147
36 3COB ADP 3.79404
37 1TL2 NDG 3.81356
38 2RGX AP5 3.8835
39 2CDN ADP 3.9801
40 4A4Z ANP 4.02844
41 5HV7 RBL 4.12844
42 5C2N NAG 4.16667
43 5U32 GDP 4.23729
44 2VTD LKM 4.2654
45 1KC7 PPR 4.2654
46 3HQP OXL 4.2654
47 1JJV ATP 4.36893
48 4XF6 LIP 4.3956
49 4XF6 INS 4.3956
50 2W58 ADP 4.45545
51 1LVG ADP 4.54545
52 6HLX G9Z 4.73934
53 4L80 OXL 4.88506
54 5FG3 GDP 4.9763
55 1RRC ADP 4.98339
56 5E5U MLI 5.02513
57 1FWV SGA MAG FUC 5.22388
58 3VPB GLU 5.35714
59 3IIJ ADP 5.55556
60 2VWT PYR 5.61798
61 3ZC7 ATP 5.6872
62 5YT0 GDP 5.76923
63 5DMM HCS 5.80645
64 5X2N ALA 5.92417
65 3F4F UMP 5.98802
66 5XH2 NPO 6.10687
67 1Q19 SSC 6.3981
68 1JJ7 ADP 6.53846
69 3KIF GDL 6.60377
70 5VKI THR NGA GAL NAG 6.875
71 4LFL TG6 6.97674
72 5G3Y ADP 7.07965
73 2XZ9 PYR 7.09877
74 6C0B MLI 7.34597
75 3WSG CIT 7.53968
76 2NZ2 ASP 7.74818
77 6H5E ANP 7.96813
78 3ZL8 ADP 8.05687
79 3KIH GDL 8.24742
80 1G6H ADP 8.29384
81 5ZZO FLC 8.45771
82 5OLK DTP 8.53081
83 4PPF FLC 8.57143
84 2Q4X HMH 8.59729
85 4PC3 GDP 9.39086
86 3U6B GDP 9.39086
87 1R0X ATP 9.44056
88 4QM7 GTP 9.94152
89 2HJ4 PNZ 10.3704
90 1SQ5 ADP 10.3896
91 2OG2 MLI 10.585
92 3B9Q MLI 10.9272
93 2HCJ GDP 11.0448
94 3K6V CIT 12.7119
95 4XW2 SIM 13.1313
96 1LT3 GAL BGC 13.5922
97 1JQY A32 13.5922
98 4CVN ADP 13.6126
99 3PQC GDP 14.8718
100 1IDA 0PO 16.1616
101 3HY2 ATP 18.1818
102 4QDI ATP 20.3791
103 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 22.9508
104 4C12 ADP 26.7773
105 2VOS ADP 42.4171
106 1JBW ACQ 45.9716
107 1JBW TMF 45.9716
Pocket No.: 2; Query (leader) PDB : 1W78; Ligand: PD8; Similar sites found with APoc: 82
This union binding pocket(no: 2) in the query (biounit: 1w78.bio1) has 38 residues
No: Leader PDB Ligand Sequence Similarity
1 2UVO NAG 1.16959
2 6BXL SAM 1.32275
3 2NCD ADP 1.42857
4 2BO4 FLC 1.51134
5 1IZC PYR 2.0649
6 2AWN ADP 2.09974
7 5LB3 ADP 2.1327
8 4ZON 4Q1 2.24359
9 2TOH HBI 2.33236
10 3ZCN ATP 2.38095
11 4D52 GXL 2.53968
12 1P3D ANP 2.60664
13 4WBD CIT 2.60664
14 3WY9 GDP 2.60664
15 5UIV ADP 2.64317
16 2J5V PCA 2.7248
17 4B5W PYR 2.73438
18 5URY PAM 2.73973
19 1GQY ACP 2.8436
20 1YRB GDP 3.05344
21 3A4M ADP 3.07692
22 1XPJ TLA 3.1746
23 1YQT ADP 3.31754
24 5YV5 ADP 3.31754
25 5TEF GTG 3.31754
26 4Z7X 3CX 3.36134
27 2CBZ ATP 3.37553
28 4HVK PMP 3.40314
29 5YSQ INS 3.4965
30 2IGA XX2 3.5545
31 1SVI GDP 3.58974
32 1TL2 NDG 3.81356
33 2CDN ADP 3.9801
34 4AG5 ADP 4.02844
35 4A4Z ANP 4.02844
36 5HV7 RBL 4.12844
37 1PVC ILE SER GLU VAL 4.20168
38 5U32 GDP 4.23729
39 2VTD LKM 4.2654
40 1KC7 PPR 4.2654
41 3HQP OXL 4.2654
42 1OCU PIB 4.32099
43 1LVG ADP 4.54545
44 6HLX G9Z 4.73934
45 4K7O EKZ 4.7619
46 5FG3 GDP 4.9763
47 5KSZ GCP 4.9763
48 1RRC ADP 4.98339
49 2WJG GDP 5.21327
50 3VPB GLU 5.35714
51 3IIJ ADP 5.55556
52 2VWT PYR 5.61798
53 3ZC7 ATP 5.6872
54 5YT0 GDP 5.76923
55 4U0S ADP 5.81395
56 3F4F UMP 5.98802
57 1Q19 SSC 6.3981
58 3KIF GDL 6.60377
59 5G3Y ADP 7.07965
60 2XZ9 PYR 7.09877
61 6C0B MLI 7.34597
62 6H5E ANP 7.96813
63 3ZL8 ADP 8.05687
64 5ZZO FLC 8.45771
65 2Q4X HMH 8.59729
66 1R0X ATP 9.44056
67 4QM7 GTP 9.94152
68 1SQ5 ADP 10.3896
69 1M26 GAL A2G 10.5263
70 2OG2 MLI 10.585
71 3B9Q MLI 10.9272
72 5XK9 GST 12.069
73 3K6V CIT 12.7119
74 4XW2 SIM 13.1313
75 4CVN ADP 13.6126
76 3PQC GDP 14.8718
77 4QDI ATP 20.3791
78 4LNP VAL PRO PRO PRO ARG PRO PRO PRO PRO GLU 22.9508
79 4C12 ADP 26.7773
80 2VOS ADP 42.4171
81 1JBW ACQ 45.9716
82 1JBW TMF 45.9716
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