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Receptor
PDB id Resolution Class Description Source Keywords
3WXL 1.9 Å EC: 2.7.1.30 CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI GAMBIENSE GLYCEROL K COMPLEX WITH ADP, MG2+, AND GLYCEROL TRYPANOSOMA BRUCEI GAMBIENSE TRYPANOSOMA GLYCEROL KINASE SUGAR KINASE SUPERFAMILY TRANGLYCOSOME
Ref.: MOLECULAR BASIS FOR THE REVERSE REACTION OF AFRICAN TRYPANOSOMES GLYCEROL KINASE. MOL.MICROBIOL. V. 94 1315 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG B:604;
D:604;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
ADP A:602;
D:602;
B:603;
B:602;
D:603;
Valid;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
GOL C:602;
D:601;
C:601;
C:603;
B:601;
A:601;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3WXL 1.9 Å EC: 2.7.1.30 CRYSTAL STRUCTURE OF TRYPANOSOMA BRUCEI GAMBIENSE GLYCEROL K COMPLEX WITH ADP, MG2+, AND GLYCEROL TRYPANOSOMA BRUCEI GAMBIENSE TRYPANOSOMA GLYCEROL KINASE SUGAR KINASE SUPERFAMILY TRANGLYCOSOME
Ref.: MOLECULAR BASIS FOR THE REVERSE REACTION OF AFRICAN TRYPANOSOMES GLYCEROL KINASE. MOL.MICROBIOL. V. 94 1315 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 3WXL - ADP C10 H15 N5 O10 P2 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 2 families.
1 3WXL - 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 3WXL - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 2W41 - 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3WXL; Ligand: ADP; Similar sites found with APoc: 228
This union binding pocket(no: 1) in the query (biounit: 3wxl.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 1EU8 TRE 1.22249
3 1Q8Y ADP 1.34048
4 4KS7 X4Z 1.36986
5 3HKW IX6 1.37694
6 1RE8 BD2 1.42857
7 4WB6 ATP 1.42857
8 2GU8 796 1.48368
9 4B7X NAP 1.4881
10 2GSD NAD 1.49254
11 1T9D FAD 1.5444
12 4FG8 ATP 1.5873
13 2E2P ADP 1.67224
14 1VQW FAD 1.75055
15 3X27 TRP 1.79104
16 4C12 UML 1.79641
17 4C12 ADP 1.79641
18 4CLI 5P8 1.83486
19 2ZGY GDP 1.875
20 5U7W ADE 1.87793
21 4A2A ATP 1.90931
22 4A2B AGS 1.90931
23 5DMZ ADP 1.91781
24 3ORK AGS 1.92926
25 3C5E ATP 1.9305
26 3IHG VAK 1.9305
27 3OZV FAD 1.98511
28 5DEY 59T 2.0202
29 5XVG 8FX 2.04778
30 1J0D 5PA 2.05279
31 1Z82 NDP 2.08955
32 6B3V ANP 2.10526
33 6B3V 7DQ 2.10526
34 4ER2 IVA VAL VAL STA ALA STA 2.12121
35 6EOF ADP 2.12355
36 5YIC 8VO 2.13415
37 4PIO SAH 2.16718
38 4GXQ ATP 2.17391
39 4YRY NAD 2.17391
40 4YRY FAD 2.17391
41 2J5V RGP 2.17984
42 1AJS PLA 2.18447
43 4FUT ATP 2.18688
44 5BVA FAD 2.20049
45 5ZBC FAD 2.21729
46 5EXW 7DT 2.25
47 4XYB NDP 2.30179
48 4A59 AMP 2.3166
49 4WB7 ATP 2.3166
50 2X3J X3J 2.3166
51 3PE2 E1B 2.37389
52 3KC1 2T6 2.37389
53 1E8C UAG API 2.40964
54 3MN5 ATP 2.50696
55 2IVD FAD 2.51046
56 2YCH ATP 2.65252
57 1Z03 OCH 2.69058
58 2YYJ 4HP 2.7027
59 4HE2 AMP 2.7027
60 4FE2 ADP 2.7451
61 5LY3 ADP 2.77778
62 5NGL NOJ BGC 2.83401
63 4BR5 ANP 2.84464
64 4N9I PCG 2.85714
65 5LV1 78T 2.85714
66 4IVN BMX 2.8777
67 1PK8 ATP 2.89575
68 2NAD NAD 2.89575
69 3VC3 C6P 2.90698
70 5EOU ATP 2.95699
71 4PO2 ASN ARG LEU LEU LEU THR GLY 2.97872
72 2PTR 2SA 3.0303
73 6AM8 PLT 3.0303
74 5Z21 NAI 3.07263
75 6ACS CIT 3.10078
76 3O0Q GDP 3.10559
77 3O0Q ADN 3.10559
78 1P9B HDA 3.16742
79 4PKI ATP 3.18302
80 4Z94 ATP 3.18302
81 2V51 ATP 3.18302
82 1SQK ADP 3.18302
83 4B1W ATP 3.19149
84 4B1X ATP 3.19149
85 2FXU ATP 3.2
86 2A40 ATP 3.2
87 2A42 ATP 3.2
88 4PL8 ATP 3.2
89 2D1K ATP 3.2
90 2D0O ADP 3.2
91 5X20 NAD 3.20513
92 3MN6 ATP 3.20856
93 3MN9 ATP 3.20856
94 2WQN ADP 3.22581
95 3Q60 ATP 3.2345
96 4ZS4 ATP 3.25733
97 5YPU ATP 3.26087
98 5OKU 0L1 3.29341
99 5IE3 AMP 3.30739
100 5IE3 OXD 3.30739
101 5DBX ANP 3.35366
102 5NNA BZM 3.40909
103 1M5B BN1 3.42205
104 2QCS ANP 3.43643
105 2BES RES 3.48837
106 1PJS SAH 3.50109
107 3BF1 ADP 3.61446
108 1D6H COA 3.61757
109 5C4L SIS 3.73832
110 1KXP ATP 3.93013
111 5YAP NAI 3.94737
112 5YAP 8S0 3.94737
113 4BMO FMN 4.03727
114 5D6J ATP 4.05405
115 4LY9 1YY 4.05405
116 4LY9 S6P 4.05405
117 5XQL C2E 4.12371
118 5LI1 ANP 4.23729
119 3RWP ABQ 4.2471
120 4ZLU ADP 4.25056
121 4ZLU 4PW 4.25056
122 6FL8 TIY 4.25532
123 6FL8 ADP 4.25532
124 1ZFJ IMP 4.27699
125 5YSE BGC BGC BGC GLC 4.28212
126 5LI9 ACP 4.28571
127 4H03 LAR 4.30622
128 4H03 ATP 4.30622
129 5ZZB ATP 4.41176
130 3AAQ ARU 4.53258
131 3R35 4CO 4.63576
132 1JBW ACQ 4.6729
133 4CBU ATP 4.72441
134 4CBX ATP 4.72441
135 3F6R FMN 4.72973
136 4OFG PCG 4.86111
137 4NW6 2NS 4.95356
138 3KAL HGS 5.01002
139 2Z7R STU 5.29595
140 5EOB 5QQ 5.32915
141 1T3Q FAD 5.35714
142 3WQT ANP 5.40541
143 5K8S CMP 5.40541
144 2Q97 ATP 5.42636
145 1IWE IMP 5.47046
146 5JIC N7E 5.49451
147 5JIC ADP 5.49451
148 4M20 COA 5.51181
149 1FFU FAD 5.52147
150 5GZ9 ANP 5.57377
151 3LM9 FRU 5.62914
152 1LSS NAD 5.71429
153 3OCP CMP 5.7554
154 1EP2 FMN 5.78778
155 2UX9 FMN 5.7971
156 4PKG ATP 5.91398
157 4MO4 ACP 5.92992
158 2FF3 ATP 6
159 2FF6 ATP 6
160 2DM6 IMN 6.00601
161 2DM6 NAP 6.00601
162 3SHR CMP 6.02007
163 6FSG FMN 6.12245
164 1QF5 GDP 6.2645
165 1QF5 RPL 6.2645
166 4LZJ 22H 6.27063
167 2R5T ANP 6.43432
168 4R5M NAP 6.56371
169 4R5M 4NO 6.56371
170 2PTM CMP 6.56566
171 4ZRB COA 6.56934
172 1GZF NAD 6.63507
173 2UYT LRH 6.75676
174 2UYT ADP 6.75676
175 5G3U ITW 6.85579
176 5G3U FDA 6.85579
177 1YP4 ADP 6.87361
178 4H3Q ANP 6.90608
179 5BVE 4VG 6.92521
180 3HRD FAD 6.94981
181 3CIP ATP 7.03125
182 1YAG ATP 7.2
183 3I59 N6S 7.22892
184 1YRO UDP 7.31707
185 2YBQ SAH 7.87671
186 4EHU ANP 8.10811
187 3RYC GTP 8.39161
188 2CSN CKI 8.41751
189 1N62 FAD 8.43373
190 3BY9 SIN 8.46154
191 3QV1 NAD 8.53659
192 1XKQ NDP 8.57143
193 3G6K FAD 8.76623
194 4XB2 NDP 8.95522
195 4XB2 HSE 8.95522
196 4CQM NAP 9.01639
197 4B9Q ATP 9.26641
198 6C7Y ADP 9.40171
199 4J56 FAD 9.45946
200 4JNE ATP 9.45946
201 5OBY ANP 9.65251
202 2GQR ADP 9.70464
203 5JCA FAD 9.85915
204 5G5G FAD 10.0437
205 2GQS ADP 10.1266
206 4CYD CMP 10.2222
207 5YEE ATP 10.2941
208 4A62 ANP 10.3125
209 3U9Z ADP 10.3448
210 3FHI ANP 10.3896
211 3LZW NAP 11.1446
212 3MN7 ATP 11.2245
213 3PVW QRX 11.4706
214 1DQS NAD 11.9593
215 5HV7 RBL 12.6147
216 3E4O SIN 12.7869
217 3SJH LAR 12.963
218 3SJH ATP 12.963
219 3LDQ 3P1 14.9123
220 4B1V LAB 15.625
221 4B1V ATP 15.625
222 2PAV ATP 15.8273
223 2QWO ADP 16.3043
224 3U4L ATP 17.1429
225 4EFH ADP 19.697
226 2PBD ATP 20.9302
227 5ZZA ATP 27.2727
228 2A3Z ATP 44.8276
Pocket No.: 2; Query (leader) PDB : 3WXL; Ligand: ADP; Similar sites found with APoc: 112
This union binding pocket(no: 2) in the query (biounit: 3wxl.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 1U8V FAD 1.02041
2 2OBD PCW 1.47059
3 4P42 PEE 1.68776
4 1W96 S1A 1.73745
5 5B25 4QJ 1.77515
6 1EKO I84 1.90476
7 1EKO NAP 1.90476
8 4Q0P 0MK 1.92308
9 1DB1 VDX 1.9305
10 5HGR 45D 2.15385
11 4CSD MFU 2.20588
12 4RPL 3UC 2.25564
13 4RPL FAD 2.25564
14 2PVN P63 2.27273
15 1Q23 FUA 2.28311
16 3KMR EQN 2.3166
17 3WW2 LPK 2.34375
18 1GEG NAD 2.34375
19 1TW4 CHD 2.4
20 2X24 X24 2.50965
21 5UI2 EQ3 2.52366
22 4MV1 ADP 2.5641
23 3FW3 ETS 2.63158
24 2V58 LZJ 2.67261
25 4RPO T6C 2.69058
26 5JWC 4W0 2.7027
27 2UXR ICT 2.73632
28 3QKD HI0 2.76243
29 3HDY FAD 2.77078
30 1OFZ FUC 2.88462
31 2LBD REA 2.89575
32 5LVP ATP 2.89575
33 4ZDC CO8 3
34 6D61 4AA 3.07692
35 5LOF 70R 3.0888
36 4PFC 2QX 3.0888
37 2VYT MLZ 3.16742
38 4N4J HG1 3.2
39 1YKD CMP 3.26633
40 5CG1 NAD BBN 3.27869
41 5E2N V14 3.42205
42 3EFS ATP 3.43348
43 4WNP 3RJ 3.48432
44 1DMH LIO 3.53698
45 6CAY ERG 3.5503
46 2BVN ENX 3.56234
47 3EKK GS2 3.58306
48 3RMK BML 3.65854
49 3KJS DQ1 3.66795
50 3HYW DCQ 3.72093
51 6AYI C3G 4.0201
52 6EXF LYS 4.03226
53 3UP3 XCA 4.11523
54 3BEJ MUF 4.20168
55 5GUD 2IT 4.24628
56 5GUD NDP 4.24628
57 4AFH L0B 4.34783
58 4Q9M FPP 4.47154
59 4C0C WVH 4.49679
60 1QPR PHT 4.57746
61 6A5Y 9R0 4.62185
62 1ZOA 140 4.65116
63 5FFF 5XC 4.66926
64 5CYV WCA 4.79452
65 5BWD FUM 5
66 4D52 GXL 5.07937
67 5TUX ECH 5.26316
68 6D55 FWA 5.38922
69 6FE1 V14 5.44747
70 1U1W 3HA 5.59846
71 2ZYI STE 5.68421
72 3ZW0 FUC 5.74713
73 3ZW2 NAG GAL FUC 5.74713
74 5EO8 TFU 5.78778
75 3ANP DCC 5.88235
76 3TTZ 07N 6.06061
77 5N87 N66 6.07029
78 4QOM PYG 6.10998
79 4OMJ 2TX 6.11511
80 3VVY ET 6.18557
81 3MEH THP 6.29371
82 1Z4O GL1 6.37066
83 2GC0 PAN 6.38298
84 5B0I BOG 6.41399
85 6F7X MFU 6.66667
86 2AJH MET 7.14286
87 3TAY MN0 7.36196
88 5IKI A9H 7.91506
89 2ZWA SAH 8.10811
90 5BQS 4VN 8.35913
91 4GN8 ASO 8.3612
92 1KZO FPP 8.46682
93 4H8N NDP 8.70968
94 3G6K POP 8.76623
95 5T9C G3P 8.95522
96 2R5A MLZ 9.0566
97 3K5I ADP 9.18114
98 3A3B FMN 9.47368
99 3A3B RBF 9.47368
100 4XTX 590 9.62963
101 5IF4 6AK 10.6918
102 3DGB MUC 11.2565
103 4C2W ANP 11.5385
104 3T03 3T0 12.3239
105 2HFP NSI 12.4113
106 4AVV CD 12.7451
107 2YJ0 420 13.0435
108 5DJT FMN 13.1148
109 4WUJ FMN 14.2857
110 5N0L ILE 14.4654
111 1LR8 IHS 20.2703
112 5K21 6QF 30.4965
Pocket No.: 3; Query (leader) PDB : 3WXL; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3wxl.bio1) has 4 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3WXL; Ligand: ADP; Similar sites found with APoc: 50
This union binding pocket(no: 4) in the query (biounit: 3wxl.bio2) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5J32 IPM 1.24069
2 4QN6 LNV 1.27877
3 1UNB AKG 1.92926
4 6AA8 NAD 1.98676
5 4ITH RCM 2.04082
6 2E2R 2OH 2.04918
7 3LU1 NAD 2.1978
8 4D9M 0JO 2.26131
9 5HES 032 2.28013
10 4QAC KK3 2.30415
11 3KMZ EQO 2.3166
12 5X3R 7Y3 2.43902
13 6F5W KG1 2.43902
14 1XXA ARG 2.5641
15 1TD2 PXL 2.78746
16 3AJH BL3 2.82258
17 1OFZ FUL 2.88462
18 1XOC VAL ASP SER LYS ASN THR SER SER TRP 2.88462
19 1KZN CBN 2.92683
20 2E9L BGC 2.98507
21 2E9L PLM 2.98507
22 2E9L OLA 2.98507
23 4DQ2 BTX 3.04878
24 5IH9 6BF 3.28358
25 1NJJ ORX 3.29412
26 4IJP 1EH 3.35196
27 3UWV 2PG 3.83142
28 5LDQ NAP 3.9548
29 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 4.09836
30 4Q9M 2ZW 4.47154
31 1QPR PPC 4.57746
32 2Z6C FMN 4.65116
33 3WHB DCC 5.15464
34 3IS2 FAD 5.19481
35 5FLJ QUE 5.37634
36 5OX6 A1Z 5.55556
37 3ANP DAO 5.88235
38 5L8L ADP 5.98291
39 5BRT CH9 5.98456
40 2R40 EPH 6.08365
41 3GYT DL4 6.55738
42 1VYF OLA 6.66667
43 2QF7 AGS 6.94981
44 3WG6 NDP 7.16612
45 3GNE FLC 8.73016
46 1OGX EQU 9.16031
47 4A0S CO8 9.17226
48 5KWY C3S 9.77444
49 2BS5 BGC GAL FUC 11.1111
50 4C2V YJA 13.6364
Pocket No.: 5; Query (leader) PDB : 3WXL; Ligand: ADP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3wxl.bio2) has 4 residues
No: Leader PDB Ligand Sequence Similarity
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