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Receptor
PDB id Resolution Class Description Source Keywords
1HTW 1.7 Å NON-ENZYME: OTHER COMPLEX OF HI0065 WITH ADP AND MAGNESIUM HAEMOPHILUS INFLUENZAE NUCLEOTIDE-BINDING FOLD STRUCTURAL GENOMICS STRUCTURE 2 FUNCTION PROJECT S2F UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF THE YJEE PROTEIN FROM HAEMOPHILUS INFLUENZAE: A PUTATIVE ATPASE INVOLVED IN CELL WALL SYNTHESIS PROTEINS V. 48 220 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:570;
Invalid;
none;
submit data
59.044 C2 H3 O2 CC(=O...
ADP A:560;
B:660;
C:760;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:561;
A:562;
B:661;
C:761;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
NA A:563;
B:663;
C:763;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HTW 1.7 Å NON-ENZYME: OTHER COMPLEX OF HI0065 WITH ADP AND MAGNESIUM HAEMOPHILUS INFLUENZAE NUCLEOTIDE-BINDING FOLD STRUCTURAL GENOMICS STRUCTURE 2 FUNCTION PROJECT S2F UNKNOWN FUNCTION
Ref.: CRYSTAL STRUCTURE OF THE YJEE PROTEIN FROM HAEMOPHILUS INFLUENZAE: A PUTATIVE ATPASE INVOLVED IN CELL WALL SYNTHESIS PROTEINS V. 48 220 2002
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 1HTW - 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 1205 families.
1 1HTW - ADP C10 H15 N5 O10 P2 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 1039 families.
1 1HTW - 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 : 1HTW; Ligand: ADP; Similar sites found with APoc: 571
This union binding pocket(no: 1) in the query (biounit: 1htw.bio3) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 1X1R GDP None
2 1MH1 GNP None
3 4U5X GNP None
4 5GVR LMR None
5 5KSP GDP None
6 2CHG ANP None
7 5LLB 6YZ None
8 1HE1 GDP None
9 1XX6 ADP None
10 1EK0 GNP None
11 4UXH T5A None
12 1NU4 MLA None
13 3SBD GNP None
14 1I9G SAM None
15 6FA4 GNP 1.26582
16 5XKT GNP 1.89873
17 5XC5 GTP 1.89873
18 3RWO GDP 1.89873
19 2WJH GDP 1.89873
20 4IDN GNP 1.89873
21 2WJH FLC 1.89873
22 1KAO GDP 1.89873
23 4UZI IMD 1.89873
24 1VKJ A3P 1.89873
25 5UQW GDP 2.1164
26 5WLB GNP 2.40964
27 3KUD GDP 2.40964
28 1CLU DBG 2.53165
29 4DCT GDP 2.53165
30 3QXC ATP 2.53165
31 2QQ0 ANP 2.53165
32 2QQ0 THM 2.53165
33 2QQ0 ADP 2.53165
34 2QQ0 TMP 2.53165
35 2PL3 ADP 2.53165
36 2VOS ADP 2.53165
37 6F5W KG1 2.53165
38 5OCG GNP 2.53165
39 2CDN ADP 3.16456
40 3W5J GDP 3.16456
41 3FB4 AP5 3.16456
42 3DC4 ADP 3.16456
43 5EXT ADP 3.16456
44 1UJ2 ADP 3.16456
45 1UJ2 C5P 3.16456
46 3PQC GDP 3.16456
47 1Z6T ADP 3.16456
48 2ZE7 DST 3.16456
49 2ZE7 AMP 3.16456
50 1LFD GNP 3.44828
51 2VVG ADP 3.79747
52 1M7G AV2 3.79747
53 1ZIN AP5 3.79747
54 1V8K ANP 3.79747
55 5O2T GSP 3.79747
56 4RD0 GDP 3.79747
57 5BQ5 ADP BEF 3.79747
58 2QN6 GDP 3.79747
59 3RAB GNP 3.79747
60 4NE2 ADP 3.79747
61 4NE2 SH2 3.79747
62 3T12 GDP ALF 3.79747
63 3T1O GDP 3.79747
64 1CR1 TTP 3.79747
65 1WQ1 GDP 3.79747
66 1SQ5 ADP 3.79747
67 1TAD ALF 3.79747
68 1TAD GDP 3.79747
69 1DS6 GDP 3.79747
70 2FJU GSP 3.79747
71 5AK0 8V1 3.79747
72 5KSZ GCP 3.79747
73 4ZNL BEF ADP 3.79747
74 4BFW ZVW 3.79747
75 3QF7 ANP 3.79747
76 4H1V GNP 3.79747
77 1U0J ADP 3.79747
78 4GBM A3P 3.79747
79 2BME GNP 3.79747
80 1WQ1 AF3 3.79747
81 1M7G ADP 3.79747
82 1G8S MET 3.79747
83 1M7G ADX 3.79747
84 1BZL FAD 3.79747
85 4K81 GTP 3.79747
86 3COB ADP 4.43038
87 4Q1A UDP 4.43038
88 4Q1A 2XZ 4.43038
89 1R4A GNP 4.43038
90 6AU6 GDP 4.43038
91 2A5J GDP 4.43038
92 1Z0A GDP 4.43038
93 1CXZ GSP 4.43038
94 2G77 GDP 4.43038
95 1Z06 GNP 4.43038
96 2XTZ GSP 4.43038
97 6D5G GNP 4.43038
98 6D5J GNP 4.43038
99 6D56 GNP 4.43038
100 6D5E GNP 4.43038
101 6D59 GNP 4.43038
102 6D5V GNP 4.43038
103 6BVJ GNP 4.43038
104 6BVL GNP 4.43038
105 6BVI GNP 4.43038
106 6BVK GNP 4.43038
107 6D55 GNP 4.43038
108 6D5H GNP 4.43038
109 1WF3 GNP 4.43038
110 5Y6N ADP 4.43038
111 1Z08 GNP 4.43038
112 2DPY ADP 4.43038
113 2BIF SIN 4.43038
114 2BIF ANP 4.43038
115 4FCW ADP 4.43038
116 4LJ9 ACP 4.43038
117 1QF5 RPL 4.43038
118 1QF5 GDP 4.43038
119 1OYY AGS 4.43038
120 5WRJ A3P 4.43038
121 5WRI A3P 4.43038
122 6D5L GNP 4.43038
123 6D5M GNP 4.43038
124 6BVM GNP 4.43038
125 1NVV GNP 4.43038
126 4AG5 ADP 5.06329
127 5N69 ADP 5.06329
128 2OM2 GDP 5.06329
129 1GOT GDP 5.06329
130 1Z0F GDP 5.06329
131 4LPS GDP 5.06329
132 3BC1 GNP 5.06329
133 2ZFI ADP 5.06329
134 1BH2 GSP 5.06329
135 1OXV ANP 5.06329
136 3HU3 AGS 5.06329
137 2YOH WMJ 5.06329
138 1RRC ADP 5.06329
139 2BEK ATP 5.06329
140 2JLR ANP 5.06329
141 2IS6 ADP 5.06329
142 1Z83 AP5 5.06329
143 6DEF GCP 5.06329
144 3A1S GDP 5.06329
145 3DKP ADP 5.06329
146 1FQK GDP 5.06329
147 1P3D ANP 5.06329
148 2J0W ASP 5.06329
149 3IUY AMP 5.06329
150 1P1C SAH 5.06329
151 3ZQ6 ADP ALF 5.24691
152 1NF3 GNP 5.46875
153 1GOJ ADP 5.6962
154 4U00 ADP 5.6962
155 1AKY AP5 5.6962
156 2ZEJ GDP 5.6962
157 1LVK MNT BEF 5.6962
158 3FYH ADP 5.6962
159 1W7J ADP BEF 5.6962
160 1G7S GDP 5.6962
161 1D5C GDP 5.6962
162 5ZXD ATP 5.6962
163 2GDJ ANP 5.6962
164 3BFV ADP 5.6962
165 2Q2Y ADP 5.6962
166 1JJ7 ADP 5.6962
167 2Q2Y MKR 5.6962
168 4DID GDP 5.6962
169 5UPK GNP 5.6962
170 4QOS ADP 5.6962
171 1R6B ADP 5.6962
172 1DAK DPU 5.6962
173 1DAK ADP 5.6962
174 6B4K ANP 5.6962
175 2IXE ATP 5.6962
176 4YS0 ADP 5.6962
177 3ZL8 ADP 5.6962
178 1G3M A3P 5.6962
179 1G3M PCQ 5.6962
180 2B8T THM 6.27803
181 4NU0 AP5 6.32911
182 1KK1 GNP 6.32911
183 5KDO GDP 6.32911
184 4ZG4 VO4 ADP 6.32911
185 2CJW GDP 6.32911
186 6CRK GDP 6.32911
187 1GP2 GDP 6.32911
188 2HT6 GDP 6.32911
189 1Y3A GDP 6.32911
190 6B8B ADP 6.32911
191 2ODE ALF GDP 6.32911
192 2C5L GTP 6.32911
193 1KO8 6PG 6.32911
194 3NHB ADP 6.32911
195 3FWY ADP 6.32911
196 1E96 GTP 6.32911
197 1M7B GTP 6.32911
198 1GWN GTP 6.32911
199 3TMK T5A 6.32911
200 3BOS CDP 6.32911
201 1K6M AGS 6.32911
202 2CE7 ADP 6.32911
203 1F5N GNP 6.32911
204 5L3W GDP 6.32911
205 2FAH GDP 6.32911
206 2FH5 GTP 6.32911
207 2D2F ADP 6.32911
208 1IHU AF3 6.32911
209 2B8W ALF 5GP 6.32911
210 1IHU ADP 6.32911
211 3B7G ANP 6.32911
212 4IOK XPO 6.32911
213 4IOK ADP 6.32911
214 1T8U UAP SGN IDS SGN 6.32911
215 1T8U A3P 6.32911
216 5YB7 ORN 6.32911
217 5YB7 FAD 6.32911
218 1SVK ALF GDP 6.32911
219 1QF9 ALF 6.70103
220 1QF9 C5P 6.70103
221 1QF9 ADP 6.70103
222 1BG2 ADP 6.96203
223 2KIN ADP 6.96203
224 4X8O AP5 6.96203
225 5M04 GDP 6.96203
226 2W2X GSP 6.96203
227 1G16 GDP 6.96203
228 4NON GDP 6.96203
229 1GUA GNP 6.96203
230 4HDO GNP 6.96203
231 5O74 GDP 6.96203
232 1G4U GDP 6.96203
233 4V0K GDP 6.96203
234 1G41 ADP 6.96203
235 3DEF GDP 6.96203
236 3E70 GDP 6.96203
237 5HR5 ADP 6.96203
238 5H4S RAM 6.96203
239 4OI4 ATP 6.96203
240 4ITR GDP 6.96203
241 2GMV UN8 6.96203
242 2GMV PEP 6.96203
243 4M9Q GNP 6.96203
244 1NHX PEP 6.96203
245 1NHX FTB 6.96203
246 2J5V PCA 6.96203
247 1P9B GDP 6.96203
248 1YZN GNP 6.96203
249 4ZDJ UTP 6.96203
250 2A8X FAD 6.96203
251 2UZI GTP 7.01754
252 5CK5 GDP 7.59494
253 3IIJ ADP 7.59494
254 4PFO ADP 7.59494
255 2RGX AP5 7.59494
256 1O3Y GTP 7.59494
257 1J2J GTP 7.59494
258 1UPT GTP 7.59494
259 1RE0 GDP 7.59494
260 5UIV ADP 7.59494
261 1YVD GNP 7.59494
262 1JI0 ATP 7.59494
263 1ZUI SKM 7.59494
264 4BAS GNP 7.59494
265 5ZBR ANP 7.59494
266 4HSE ADP 7.59494
267 1T5C ADP 7.59494
268 5LB3 ADP 7.59494
269 2BVN GNP 7.59494
270 1VHT BA3 7.59494
271 2IYL GDP 7.59494
272 1FP6 ADP 7.59494
273 3DZD ADP 7.59494
274 2VB6 ADP BEF 7.59494
275 1W0J ADP 7.59494
276 1FNN ADP 7.59494
277 4GOX A3P 7.59494
278 3TBK ANP 7.59494
279 1W0J ADP BEF 7.59494
280 3BFX A3P 7.59494
281 2XTN GTP 7.59494
282 3QKT ANP 7.59494
283 4WOP CTP 8
284 1F2U ATP 8.05369
285 1YRB GDP 8.22785
286 4KFU ACP 8.22785
287 3CX8 GSP 8.22785
288 3MJH GTP 8.22785
289 5X40 ACP 8.22785
290 1DAR GDP 8.22785
291 4WZ6 ATP 8.22785
292 3ZFD ANP 8.22785
293 1MKY GDP 8.22785
294 3RLF ANP 8.22785
295 1F9V ADP 8.22785
296 2C9O ADP 8.22785
297 2WKQ GTP 8.22785
298 1SVI GDP 8.22785
299 2AWN ADP 8.22785
300 4R98 GNH 8.22785
301 2BCG GDP 8.22785
302 3AB3 GDP 8.22785
303 1NJF ADP 8.22785
304 3QVV A3P 8.22785
305 6C90 ADP 8.22785
306 1NJF AGS 8.22785
307 1QHG ATP 8.22785
308 4R2I ANP 8.22785
309 3QVV 3QV 8.22785
310 3BER AMP 8.22785
311 1QHH ATP 8.22785
312 2XT3 ADP 8.86076
313 1LVG ADP 8.86076
314 4MKG AP5 8.86076
315 4MKF AP5 8.86076
316 1P72 ADP 8.86076
317 2C77 GNP 8.86076
318 2C78 GNP 8.86076
319 2FFQ GSP 8.86076
320 4YMU ATP 8.86076
321 4QM7 GTP 8.86076
322 3KTA AP5 8.86076
323 2QG6 NMN 8.86076
324 4PJ3 ANP 8.86076
325 5JBE MAL 8.86076
326 3REF GDP 8.86076
327 1YZQ GNP 8.86076
328 1XEX ATP 8.86076
329 3VSV XYS 8.86076
330 3QBT GNP 9.28571
331 3Q85 GNP 9.49367
332 1S8F GDP 9.49367
333 2F9L GDP 9.49367
334 1D8T GDP 9.49367
335 1L2T ATP 9.49367
336 3FVQ ATP 9.49367
337 1CS4 GSP 9.49367
338 5HCN GCP 9.49367
339 1XMV ADP 9.49367
340 5ZB0 TYD 9.49367
341 5ZB0 ADP 9.49367
342 2D7C GTP 9.49367
343 3AB4 THR 9.49367
344 1FQJ GDP 9.52381
345 1QSM ACO 9.86842
346 2W58 ADP 10.1266
347 1S3G AP5 10.1266
348 3MD0 GDP 10.1266
349 1MR3 G3D 10.1266
350 1ION ADP 10.1266
351 2HV8 GTP 10.1266
352 4C4P GNP 10.1266
353 5BN3 ADP 10.1266
354 1G6O ADP 10.1266
355 2JAQ DCP 10.1266
356 4TMK T5A 10.1266
357 2A5F GTP 10.1266
358 1IWE IMP 10.1266
359 2ZPA ADP 10.1266
360 1H65 GDP 10.1266
361 2ZPT A3P 10.1266
362 3DDC GNP 10.1266
363 2B4B COA 10.1266
364 2Y65 ADP 10.7595
365 1NN5 2DT 10.7595
366 1NN5 ANP 10.7595
367 3B5J 12D 10.7595
368 2OG2 MLI 10.7595
369 1TQ4 GDP 10.7595
370 1G3Q ADP 10.7595
371 3H4S ADP 10.7595
372 4LC1 GDP 10.7595
373 4FRZ ADP 10.7595
374 6BSX GDP 10.7595
375 6BSX E7S 10.7595
376 3A4M ADP 10.7595
377 4TL6 ANP 10.7595
378 1NY5 ADP 10.7595
379 2XAU ADP 10.7595
380 4A4Z ANP 10.7595
381 4QRH 0O2 10.7595
382 3B9Q MLI 10.7595
383 2GJ8 ALF GDP 10.7595
384 2XG5 EC2 10.7595
385 2XG5 EC5 10.7595
386 3ITJ CIT 10.7595
387 2V7Q ATP 10.9589
388 2V7Q ADP 10.9589
389 2CK3 ANP 10.9589
390 2CK3 ADP 10.9589
391 2WHX ADP 11.3924
392 4CVN ADP 11.3924
393 1S9D GDP 11.3924
394 4BQS ADP 11.3924
395 4BQS K2Q 11.3924
396 2WIC GNP 11.3924
397 5Z69 AGS 11.3924
398 4IEE AGS 11.3924
399 1W4R TTP 11.3924
400 1OFL NGK GCD 11.3924
401 5NM7 GLY 11.3924
402 3T5G GDP 11.8421
403 5TB5 GDP 12
404 1SKQ GDP 12.0253
405 1ZD9 GDP 12.0253
406 1OIX GDP 12.0253
407 1OIV GDP 12.0253
408 2NGR GDP 12.0253
409 1RYH GNP 12.0253
410 1B0U ATP 12.0253
411 3P4X ADP 12.0253
412 1OE0 TTP 12.0253
413 1GRN GDP 12.0253
414 2D7D ADP 12.0253
415 1ME8 RVP 12.0253
416 5TAR GDP 12.1622
417 2GKS ADP 12.6582
418 1YTM ATP 12.6582
419 3WXM GTP 12.6582
420 1SVM ATP 12.6582
421 1E2K TMC 12.6582
422 4IHQ ADP 12.6582
423 1B7T ADP 12.6582
424 4D81 ADP 12.6582
425 4PX9 ADP 12.6582
426 2GK6 ADP 12.6582
427 2X7I CIT 12.6582
428 1G7C 5GP 12.766
429 1KK8 BEF ADP 12.9496
430 1Z0K GTP 13.0435
431 2PEZ DAT 13.2911
432 2PEZ GGZ 13.2911
433 1X6V ADP 13.2911
434 1D2N ANP 13.2911
435 2OFW ADX 13.2911
436 1R2Q GNP 13.2911
437 4HUT ATP 13.2911
438 1UKZ ADP 13.9241
439 3UIE ANP 13.9241
440 2NCD ADP 13.9241
441 2WOJ ADP ALF 13.9241
442 5L3S GNP 13.9241
443 4XVU ATP 13.9241
444 4XTR ATP 13.9241
445 4XTR ADP 13.9241
446 5L3V GDP 13.9241
447 2ORV 4TA 13.9241
448 5L3S G 13.9241
449 5U32 GDP 14.557
450 5A5W GUO 14.557
451 3H86 AP5 14.5833
452 5FG3 GDP 15.1899
453 2WJG GDP 15.1899
454 5YT0 GDP 15.1899
455 1XKV ATP 15.1899
456 2QEN ADP 15.1899
457 1Z0J GTP 15.2542
458 2QTV GNP 15.8228
459 1FZQ GDP 15.8228
460 2RCN GDP 15.8228
461 1D2E GDP 15.8228
462 3VX3 ADP 15.8228
463 5MZN ADP 15.8228
464 5I34 GDP 15.8228
465 3RC3 ANP 15.8228
466 1X8J A3P 15.8228
467 1RJ9 GCP 16.4557
468 3EC1 GDP 16.4557
469 1GXU 2HP 16.4835
470 3Q72 GNP 17.0886
471 4P4T GDP 17.0886
472 6G14 G4P 17.0886
473 1YQT ADP 17.0886
474 5YV5 ADP 17.0886
475 5TIV A3P 17.0886
476 5EE7 5MV 17.0886
477 1I4D GDP 17.7215
478 4D0N GDP 17.7215
479 1W5T ANP 17.7215
480 1W5T ADP 17.7215
481 2GCN GDP 17.7215
482 1M2O GNP 17.7215
483 2VTD LKM 17.7215
484 1KMQ GNP 18.3544
485 1OW3 GDP 18.3544
486 5HPY GDP 18.3544
487 1TX4 ALF GDP 18.3544
488 2QZ4 ADP 18.3544
489 2GCO GNP 18.3544
490 3KJI ADP 18.3544
491 2XMY CDK 18.3544
492 1ZJ6 G3D 18.9873
493 1KSH GDP 18.9873
494 5IRC GDP 18.9873
495 2JJK R15 18.9873
496 6CS8 F9Y 18.9873
497 6GUE FB8 18.9873
498 5KUT GDP 19.6203
499 1XP8 AGS 19.6203
500 5I0H ADP BEF 19.6203
501 4R43 GDP 19.6203
502 1KY3 GDP 20.2532
503 4B47 GDP 20.2532
504 2J0V GDP 20.2532
505 2FSH ANP 20.2532
506 5TSH ANP 20.8861
507 5TSH ADP 20.8861
508 1G6H ADP 20.8861
509 1JJV ATP 20.8861
510 1F6B GDP 21.519
511 1VG1 GDP 21.519
512 1VG9 GDP 21.519
513 4WZA ACP 21.519
514 4WZA ADP 21.519
515 4TTQ ATP 21.519
516 1VG0 GDP 21.519
517 5Z2M GTP 21.519
518 1VG8 GNP 21.519
519 2HCJ GDP 21.6216
520 1WA5 GTP 22.1519
521 5UWI GNP 22.1519
522 5UWH GNP 22.1519
523 5UWR GNP 22.1519
524 5UWT GNP 22.1519
525 5UWU GNP 22.1519
526 5DIF GNP 22.1519
527 6CIT GNP 22.1519
528 3GJ7 GDP 22.1519
529 4HAT GNP 22.1519
530 5UWQ GNP 22.1519
531 5UWP GNP 22.1519
532 5DHF GNP 22.1519
533 3GJ4 GDP 22.1519
534 5UWW GNP 22.1519
535 5UWO GNP 22.1519
536 5UWS GNP 22.1519
537 5BXQ GDP 22.1519
538 3GJ5 GDP 22.1519
539 3CH5 GDP 22.1519
540 3GJ3 GDP 22.1519
541 3GJ0 GDP 22.1519
542 3GJ8 GDP 22.1519
543 5UWJ GNP 22.1519
544 1IBR GNP 22.1519
545 2HF9 GSP 22.1519
546 5DI9 GNP 22.1519
547 4KBF AMP 22.1519
548 1NRJ GTP 22.9358
549 3M1I GTP 23.4177
550 1IN4 ADP 23.4177
551 2F3R G5P 23.4177
552 3ZS9 ADP ALF 23.6842
553 3ZIA ADP 24.5902
554 3ZIA ATP 24.5902
555 1YZG GDP 24.6835
556 5L3R GCP 24.6835
557 1OFH ADP 25.3165
558 4NCN GTP 25.3165
559 2A9K GDP 27.8481
560 1ZC3 GNP 27.8481
561 1U8Z GDP 27.8481
562 1PUJ GNP 29.1139
563 1Z2A GDP 30.3797
564 1OS1 ATP 32.2785
565 1OS1 PYR 32.2785
566 1A4R GNH 32.9114
567 1A4R GDP 32.9114
568 4HI0 GDP 35.443
569 3TK1 GDP 36.076
570 2ZR9 DTP 40.5063
571 1TU3 GNP 46.8354
Pocket No.: 2; Query (leader) PDB : 1HTW; Ligand: ADP; Similar sites found with APoc: 44
This union binding pocket(no: 2) in the query (biounit: 1htw.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 ARG None
2 2QQF A1R None
3 2YIP YIO None
4 4UTG ANP 1.26582
5 6HOY TSN 3.16456
6 6HOY AR6 3.16456
7 3LTW HLZ 3.16456
8 2Z5F A3P 3.79747
9 1M2K APR 4.43038
10 3CW9 01A 4.43038
11 1XCL SAH 5.06329
12 6GKV SAH 5.06329
13 5EYK 5U5 5.08475
14 3KAP FMN 5.44218
15 2DFV NAD 5.6962
16 4B7X NAP 5.6962
17 1F8F NAD 5.6962
18 1Q19 APC 5.6962
19 2Q8M AMP 5.6962
20 1ELI PYC 6.32911
21 1F6D UDP 6.32911
22 6EQS BV8 6.32911
23 2ZJ5 ADP 6.96203
24 4DV8 0LX 6.96203
25 2O0J ADP 7.59494
26 3D91 REM 7.59494
27 6AIC AMP 8.86076
28 3GFB NAD 9.49367
29 4UP3 FAD 10.1266
30 3U31 NAD 10.1266
31 2IZ1 RES 10.1266
32 2IXB A2G 11.3924
33 2IXB NAD 11.3924
34 2V2V V12 11.3924
35 1NST A3P 12.0253
36 1ZRH A3P 13.2911
37 2IHU TP9 13.2911
38 3G5N PB2 13.2911
39 1HXD BTN 13.9241
40 4XQC NAD 13.9241
41 5EP2 AZU 15.8228
42 5CUQ NSC 17.7215
43 3KC1 2T6 18.9873
44 1Z3C SA8 27.2152
Pocket No.: 3; Query (leader) PDB : 1HTW; Ligand: ADP; Similar sites found with APoc: 46
This union binding pocket(no: 3) in the query (biounit: 1htw.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 6CI9 NAP None
2 5YGE ACO 1.26582
3 5K0A FAD 1.89873
4 2IVD FAD 2.53165
5 4W6Z 8ID 2.53165
6 3MB5 SAM 3.16456
7 1BO4 COA 3.79747
8 2A2C ADP 3.79747
9 2A2C NG1 3.79747
10 1WUU ANP 3.79747
11 2FJK 13P 4.43038
12 1S7G APR 5.06329
13 3I53 SAH 5.06329
14 1S7G NAD 5.06329
15 3MGB PAP 5.06329
16 5J60 FAD 5.6962
17 1S7N COA 5.6962
18 1AQU A3P 5.6962
19 6F5Z SAH 5.6962
20 4R6W PC 6.32911
21 3ZG6 APR 6.32911
22 6G96 ACO 6.32911
23 1H74 ADP 6.96203
24 1H74 ILE 6.96203
25 3BD9 A3P 7.59494
26 1DR1 HBI 7.59494
27 1DR1 NAP 7.59494
28 5BSH PRO 7.59494
29 5NUL FMN 7.97101
30 4JLS 3ZE 9.21053
31 2GWH A3P 9.49367
32 3QWI NAP 9.49367
33 2B4D COA 10.1266
34 2VBQ BSJ 12.0253
35 1OBV FMN 12.6582
36 2I4I AMP 12.6582
37 1Q20 A3P 12.6582
38 1Q20 PLO 12.6582
39 2FXV 5GP 13.9241
40 1H5Q NAP 15.1899
41 4BUZ OCZ 15.8228
42 4BUZ NAD 15.8228
43 4BUZ OAD 15.8228
44 4RF2 NAP 16.4557
45 4DQ2 BTX 17.0886
46 5YVT NAI 22.1519
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