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Receptor
PDB id Resolution Class Description Source Keywords
1Z83 1.9 Å EC: 2.7.4.3 CRYSTAL STRUCTURE OF HUMAN AK1A IN COMPLEX WITH AP5A HOMO SAPIENS ADENYLATE KINASE HUMNA AP5A DIADENOSINE PENTAPHOSPHATE NKINASE STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUMTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF HUMAN AK1A IN COMPLEX WITH AP5 TO BE PUBLISHED
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AP5 A:631;
C:633;
B:632;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
916.367 C20 H29 N10 O22 P5 c1nc(...
SO4 A:702;
B:701;
B:703;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:601;
A:641;
B:642;
B:643;
C:621;
C:644;
C:645;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
submit data
65.409 Zn [Zn+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1Z83 1.9 Å EC: 2.7.4.3 CRYSTAL STRUCTURE OF HUMAN AK1A IN COMPLEX WITH AP5A HOMO SAPIENS ADENYLATE KINASE HUMNA AP5A DIADENOSINE PENTAPHOSPHATE NKINASE STRUCTURAL GENOMICS STRUCTURAL GENOMICS CONSORTIUMTRANSFERASE
Ref.: CRYSTAL STRUCTURE OF HUMAN AK1A IN COMPLEX WITH AP5 TO BE PUBLISHED
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 1Z83 - AP5 C20 H29 N10 O22 P5 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 9 families.
1 2BWJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
2 1Z83 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
50% Homology Family (40)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
2 1DVR - ATF C11 H16 F2 N5 O12 P3 c1nc(c2c(n....
3 3AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
4 2AKY - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
5 1P3J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
6 2EU8 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
7 4MKF - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
8 1E4Y - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
9 3HPR - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
10 6F7U - GCP C11 H18 N5 O13 P3 c1nc2c(n1[....
11 1E4V - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
12 4X8L - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
13 1AKE - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
14 3HPQ - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
15 1ANK - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
16 4X8O Kd = 60 nM AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
17 5G40 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
18 5G3Z - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
19 5G41 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
20 2RGX - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
21 4UKD - UDP ADP BF2 n/a n/a
22 5UKD - AF3 Al F3 F[Al](F)F
23 1QF9 - ALF Al F4 F[Al-](F)(....
24 2UKD - C5P C9 H14 N3 O8 P C1=CN(C(=O....
25 1S3G - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
26 3FB4 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
27 4MKG - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
28 4MKH - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
29 5G3Y - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
30 1UKY - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
31 1UKZ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
32 2BWJ - AMP C10 H14 N5 O7 P c1nc(c2c(n....
33 1ZIP - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
34 1ZIO - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
35 1ZIN - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
36 1Z83 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
37 4W5J - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
38 4NU0 - AP5 C20 H29 N10 O22 P5 c1nc(c2c(n....
39 2CDN - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
40 2AK3 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AP5; Similar ligands found: 424
No: Ligand ECFP6 Tc MDL keys Tc
1 AP5 1 1
2 B4P 1 1
3 BA3 0.984615 1
4 AQP 0.942029 0.971831
5 5FA 0.942029 0.971831
6 ATP 0.927536 0.971831
7 HEJ 0.927536 0.971831
8 A2D 0.924242 1
9 ADP 0.884058 0.971831
10 SAP 0.875 0.92
11 AGS 0.875 0.92
12 AT4 0.84507 0.932432
13 AN2 0.84507 0.958333
14 APR 0.835616 0.971831
15 AR6 0.835616 0.971831
16 M33 0.833333 0.958333
17 AD9 0.824324 0.945205
18 ACP 0.821918 0.945205
19 ANP 0.802632 0.945205
20 ACQ 0.802632 0.945205
21 AMP 0.797101 0.943662
22 A 0.797101 0.943662
23 6YZ 0.794872 0.945205
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 50T 0.773333 0.931507
27 ABM 0.763889 0.917808
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.932432
30 T99 0.75641 0.932432
31 TAT 0.75641 0.932432
32 A22 0.753086 0.985915
33 25L 0.752941 0.985915
34 AP2 0.743243 0.932432
35 A12 0.743243 0.932432
36 APC 0.74026 0.932432
37 SRA 0.736111 0.893333
38 A1R 0.73494 0.907895
39 ADQ 0.73494 0.972222
40 A3R 0.73494 0.907895
41 5AL 0.725 0.931507
42 G5P 0.722222 0.921053
43 9X8 0.717647 0.92
44 OAD 0.717647 0.945205
45 AU1 0.714286 0.945205
46 G3A 0.711111 0.921053
47 SRP 0.707317 0.906667
48 8QN 0.702381 0.931507
49 3OD 0.701149 0.945205
50 GTA 0.695652 0.886076
51 4AD 0.694118 0.92
52 UP5 0.691489 0.945946
53 ADV 0.6875 0.932432
54 ADP PO3 0.6875 0.943662
55 RBY 0.6875 0.932432
56 00A 0.686047 0.907895
57 5SV 0.682353 0.848101
58 OOB 0.682353 0.958333
59 25A 0.682353 0.971831
60 BIS 0.681818 0.907895
61 AMO 0.674419 0.932432
62 PAJ 0.674419 0.884615
63 7D4 0.670886 0.88
64 ITT 0.670886 0.916667
65 MAP 0.670588 0.92
66 A4P 0.670103 0.843373
67 DLL 0.666667 0.958333
68 AHX 0.666667 0.896104
69 3UK 0.659091 0.945205
70 SON 0.658228 0.906667
71 T5A 0.656566 0.864198
72 ADP ALF 0.654762 0.87013
73 ALF ADP 0.654762 0.87013
74 LMS 0.653333 0.82716
75 B5V 0.651685 0.932432
76 LAD 0.651685 0.860759
77 PR8 0.651685 0.85
78 WAQ 0.651685 0.883117
79 GAP 0.650602 0.893333
80 AFH 0.648936 0.909091
81 ADP VO4 0.647059 0.931507
82 VO4 ADP 0.647059 0.931507
83 TXA 0.644444 0.932432
84 NB8 0.644444 0.896104
85 PTJ 0.644444 0.871795
86 FYA 0.644444 0.931507
87 1ZZ 0.644444 0.839506
88 ME8 0.644444 0.839506
89 DQV 0.642105 0.985915
90 HFD 0.638554 0.92
91 2A5 0.634146 0.893333
92 DAL AMP 0.632184 0.905405
93 9SN 0.630435 0.896104
94 48N 0.628866 0.896104
95 PAP 0.626506 0.957747
96 ATR 0.626506 0.943662
97 9ZD 0.625 0.883117
98 9ZA 0.625 0.883117
99 YAP 0.623656 0.92
100 B5Y 0.623656 0.92
101 FA5 0.623656 0.932432
102 B5M 0.623656 0.92
103 RAB 0.623188 0.84507
104 ADN 0.623188 0.84507
105 XYA 0.623188 0.84507
106 NXX 0.622449 0.958904
107 NAX 0.622449 0.897436
108 6V0 0.622449 0.921053
109 TXD 0.622449 0.933333
110 NAI 0.622449 0.933333
111 DND 0.622449 0.958904
112 7D3 0.620253 0.88
113 XAH 0.617021 0.839506
114 OMR 0.616162 0.851852
115 TXE 0.616162 0.933333
116 AOC 0.615385 0.821918
117 4UV 0.610526 0.92
118 AP0 0.61 0.921053
119 5N5 0.605634 0.819444
120 5AS 0.604938 0.77907
121 ADP BMA 0.604396 0.945205
122 A2R 0.602273 0.958333
123 CNA 0.601942 0.958904
124 4UU 0.597938 0.92
125 GA7 0.597938 0.932432
126 A4D 0.597222 0.819444
127 5CD 0.597222 0.805556
128 4TC 0.594059 0.921053
129 3AT 0.593023 0.944444
130 139 0.592233 0.897436
131 ADJ 0.592233 0.875
132 LAQ 0.585859 0.839506
133 F2R 0.580952 0.841463
134 A A 0.580645 0.944444
135 YLP 0.58 0.819277
136 COD 0.575472 0.811765
137 DTP 0.574713 0.88
138 JB6 0.574468 0.907895
139 4UW 0.574257 0.884615
140 EP4 0.573333 0.753247
141 A3P 0.573171 0.943662
142 ATP A A A 0.572917 0.957747
143 7D5 0.571429 0.853333
144 TYM 0.568627 0.932432
145 MYR AMP 0.568421 0.817073
146 6AD 0.568182 0.884615
147 DTA 0.565789 0.810811
148 M2T 0.565789 0.734177
149 80F 0.564815 0.864198
150 3DH 0.564103 0.773333
151 G5A 0.563218 0.77907
152 UPA 0.563107 0.933333
153 YLC 0.563107 0.839506
154 YLB 0.563107 0.819277
155 TYR AMP 0.561224 0.894737
156 NAD 0.560748 0.958333
157 TSB 0.56044 0.819277
158 MTA 0.558442 0.773333
159 3AM 0.556962 0.902778
160 SSA 0.555556 0.8
161 AHZ 0.554455 0.817073
162 A2P 0.554217 0.929577
163 NA7 0.553191 0.932432
164 IOT 0.552381 0.809524
165 PPS 0.550562 0.85
166 A3D 0.550459 0.945205
167 7MD 0.55 0.8625
168 AR6 AR6 0.55 0.944444
169 ARG AMP 0.55 0.807229
170 54H 0.549451 0.788235
171 VMS 0.549451 0.788235
172 YLA 0.54717 0.819277
173 AMP DBH 0.545455 0.918919
174 TAD 0.544554 0.884615
175 AV2 0.544444 0.891892
176 A5A 0.544444 0.807229
177 6RE 0.54321 0.7375
178 AYB 0.542056 0.809524
179 7DT 0.54023 0.957747
180 DDS 0.539326 0.853333
181 AVV 0.537634 0.896104
182 52H 0.532609 0.77907
183 BTX 0.53211 0.819277
184 NSS 0.531915 0.8
185 NAE 0.530973 0.92
186 ZAS 0.530864 0.766234
187 J7C 0.53012 0.746835
188 A3N 0.53012 0.786667
189 IMO 0.53012 0.902778
190 DAT 0.528736 0.88
191 BT5 0.527273 0.809524
192 8X1 0.526882 0.752809
193 5CA 0.526882 0.8
194 53H 0.526882 0.77907
195 NVA LMS 0.526316 0.752809
196 ARU 0.526316 0.8375
197 NAQ 0.526316 0.896104
198 EAD 0.525862 0.897436
199 9K8 0.525773 0.733333
200 RGT 0.525253 0.932432
201 2AM 0.525 0.916667
202 S4M 0.52381 0.666667
203 AF3 ADP 3PG 0.52381 0.8375
204 V3L 0.522222 0.944444
205 ZID 0.521739 0.945205
206 LEU LMS 0.520833 0.752809
207 LPA AMP 0.519231 0.817073
208 7MC 0.518868 0.841463
209 DSH 0.518072 0.725
210 MAO 0.517647 0.759036
211 DSZ 0.515789 0.8
212 LSS 0.515789 0.761364
213 P5A 0.515464 0.744444
214 DZD 0.513514 0.909091
215 FB0 0.512397 0.784091
216 5X8 0.511364 0.763158
217 GP3 0.511111 0.921053
218 M24 0.508772 0.873418
219 YLY 0.508772 0.809524
220 N0B 0.508621 0.841463
221 P1H 0.508333 0.875
222 5AD 0.506849 0.746479
223 OVE 0.506024 0.88
224 GJV 0.505882 0.728395
225 7DD 0.505747 0.957747
226 NAJ PZO 0.504425 0.871795
227 GSU 0.5 0.77907
228 KAA 0.5 0.752809
229 128 0.5 0.776471
230 NEC 0.5 0.746667
231 NDE 0.495868 0.932432
232 NJP 0.495495 0.945946
233 6C6 0.494505 0.857143
234 SFG 0.494382 0.75
235 FDA 0.491935 0.833333
236 4TA 0.491071 0.829268
237 AMP NAD 0.491071 0.931507
238 0WD 0.491071 0.921053
239 YSA 0.490196 0.8
240 GTP 0.489362 0.894737
241 A7D 0.488636 0.776316
242 6FA 0.488 0.864198
243 NDC 0.487805 0.896104
244 NAJ PYZ 0.487179 0.829268
245 SA8 0.483516 0.707317
246 A5D 0.483516 0.810811
247 MHZ 0.483146 0.697674
248 71V 0.482759 0.883117
249 A3G 0.482353 0.8
250 ODP 0.482143 0.909091
251 Y3J 0.480519 0.726027
252 8PZ 0.480392 0.821429
253 FAD 0.480315 0.875
254 SFD 0.480315 0.752688
255 FAS 0.480315 0.875
256 7D7 0.48 0.743243
257 GGZ 0.479167 0.825
258 HDV 0.478723 0.868421
259 SAH 0.478261 0.74359
260 SAI 0.478261 0.734177
261 G A A A 0.477876 0.871795
262 NDP 0.477477 0.921053
263 NPW 0.477477 0.886076
264 PO4 PO4 A A A A PO4 0.474747 0.929577
265 SMM 0.473684 0.686047
266 NZQ 0.473214 0.909091
267 TXP 0.473214 0.921053
268 6IA 0.473118 0.814815
269 SAM 0.473118 0.690476
270 AAT 0.468085 0.707317
271 EEM 0.468085 0.690476
272 7C5 0.466667 0.818182
273 PGS 0.466667 0.858974
274 FNK 0.465649 0.804598
275 62F 0.465649 0.886076
276 U A 0.465517 0.907895
277 DA 0.465116 0.853333
278 D5M 0.465116 0.853333
279 A G 0.464912 0.883117
280 N6P 0.464646 0.915493
281 GSP 0.463918 0.85
282 2SA 0.463158 0.906667
283 FAY 0.462121 0.886076
284 A3T 0.461538 0.821918
285 U A G G 0.46087 0.883117
286 A A A 0.46 0.905405
287 AAM 0.45977 0.943662
288 GEK 0.459184 0.7375
289 RFL 0.458647 0.843373
290 6G0 0.458333 0.860759
291 S7M 0.458333 0.690476
292 4YB 0.457944 0.781609
293 C2R 0.457831 0.878378
294 AMZ 0.457831 0.890411
295 GDP 0.457447 0.894737
296 A3S 0.455556 0.810811
297 Z5A 0.454545 0.8
298 WSA 0.454545 0.809524
299 12D 0.453704 0.785714
300 XNP 0.452174 0.873418
301 8Q2 0.45045 0.793103
302 62X 0.45 0.666667
303 AIR 0.45 0.875
304 ETB 0.449153 0.811765
305 DCA 0.449153 0.802326
306 MGP 0.447917 0.860759
307 NIA 0.447059 0.8
308 A6D 0.445545 0.743902
309 K15 0.445545 0.682353
310 PUA 0.445378 0.884615
311 9JJ 0.445255 0.886076
312 6K6 0.444444 0.90411
313 V1N 0.443396 0.944444
314 0T1 0.441667 0.802326
315 COA 0.441667 0.802326
316 649 0.441441 0.764045
317 0UM 0.44 0.698795
318 P5F 0.438849 0.823529
319 GCP 0.438776 0.871795
320 G1R 0.438776 0.883117
321 GNH 0.4375 0.883117
322 3AD 0.4375 0.805556
323 101 0.436782 0.853333
324 NVA 2AD 0.43617 0.759494
325 NAP 0.434426 0.945205
326 9GM 0.434343 0.871795
327 GNP 0.434343 0.871795
328 APU 0.433628 0.894737
329 A U 0.433628 0.894737
330 KB1 0.432692 0.719512
331 F2N 0.432624 0.813953
332 7RP 0.431818 0.901408
333 CAO 0.430894 0.775281
334 TAP 0.430894 0.907895
335 AMX 0.430894 0.811765
336 DG1 0.430894 0.921053
337 COS 0.430894 0.784091
338 30N 0.430894 0.734043
339 1DG 0.430894 0.921053
340 2VA 0.430108 0.8
341 S8M 0.43 0.759494
342 GTG 0.429907 0.886076
343 FA9 0.429577 0.864198
344 MGO 0.428571 0.8375
345 SCO 0.427419 0.802326
346 CMX 0.427419 0.802326
347 NA0 0.427419 0.932432
348 NHD 0.42735 0.931507
349 7RA 0.426966 0.930556
350 AS 0.426966 0.810127
351 QQY 0.425287 0.815789
352 ACK 0.425287 0.861111
353 ACO 0.424 0.775281
354 FAM 0.424 0.784091
355 FCX 0.424 0.775281
356 CC5 0.423077 0.816901
357 SXZ 0.423077 0.710843
358 EO7 0.422222 0.788235
359 8BR 0.422222 0.881579
360 IDP 0.421053 0.893333
361 ZDA 0.421053 0.84
362 HAX 0.420635 0.784091
363 GDC 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDD 0.420561 0.884615
366 J7V 0.419355 0.833333
367 TM1 0.419048 0.77381
368 2MC 0.418605 0.75
369 CMP 0.417582 0.928571
370 2BA 0.417582 0.942857
371 FYN 0.417323 0.802326
372 3KK 0.417323 0.784091
373 SLU 0.416667 0.790698
374 SO8 0.416667 0.789474
375 7L1 0.416 0.775281
376 NMN AMP PO4 0.415254 0.894737
377 26A 0.414634 0.763158
378 HF7 0.414141 0.868421
379 MCD 0.414062 0.784091
380 SOP 0.414062 0.784091
381 COK 0.414062 0.784091
382 CA6 0.414062 0.71134
383 OXK 0.414062 0.784091
384 QQX 0.413793 0.805195
385 G2R 0.413462 0.860759
386 PRT 0.411215 0.905405
387 FAI 0.411111 0.890411
388 RMB 0.411111 0.847222
389 CO6 0.410853 0.784091
390 1VU 0.410853 0.775281
391 CMC 0.410853 0.784091
392 NMX 0.410853 0.741935
393 SCA 0.409091 0.784091
394 SP1 0.409091 0.866667
395 ANZ 0.409091 0.8
396 1RB 0.409091 0.859155
397 RP1 0.409091 0.866667
398 NFD 0.408333 0.907895
399 SCD 0.407692 0.802326
400 CAJ 0.407692 0.784091
401 D3Y 0.405941 0.813333
402 KH3 0.405405 0.674419
403 A C A C 0.404959 0.871795
404 N01 0.404959 0.931507
405 A1S 0.40458 0.784091
406 3HC 0.40458 0.793103
407 BCO 0.40458 0.784091
408 IVC 0.40458 0.793103
409 MLC 0.40458 0.784091
410 1HE 0.40458 0.766667
411 G 0.404255 0.881579
412 5GP 0.404255 0.881579
413 R5I 0.40404 0.893333
414 R7I 0.40404 0.893333
415 G2Q 0.403846 0.860759
416 3D1 0.402439 0.773333
417 3L1 0.402439 0.773333
418 VRT 0.402062 0.769231
419 COO 0.401515 0.784091
420 MCA 0.401515 0.775281
421 CAA 0.401515 0.793103
422 YE1 0.401515 0.813953
423 3NZ 0.4 0.805195
424 GMV 0.4 0.871795
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1Z83; Ligand: AP5; Similar sites found with APoc: 596
This union binding pocket(no: 1) in the query (biounit: 1z83.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 1ION ADP None
2 2ALG DAO None
3 4WG0 CHD None
4 1LNX URI None
5 3AJM 4IP None
6 3KC1 2T6 1.02041
7 3W54 RNB 1.53061
8 1A4R GNH 1.57068
9 1A4R GDP 1.57068
10 4U5X GNP 1.68539
11 1S8F GDP 1.69492
12 3OI7 OI7 2.04082
13 3LL4 2FP 2.04082
14 5NUL FMN 2.17391
15 6BSX GDP 2.24719
16 3DC4 ADP 2.55102
17 4LYA ATP 2.55102
18 2YOH WMJ 2.55102
19 5KSZ GCP 2.55102
20 3I9U DTU 2.55102
21 6B8B ADP 2.55102
22 3DOE GTP 2.60417
23 1OIV GDP 2.6178
24 5KSP GDP 2.63158
25 2X77 GDP 2.6455
26 4FRZ ADP 3.06122
27 2XT3 ADP 3.06122
28 1F9V ADP 3.06122
29 4YDS ATP 3.06122
30 1XKV ATP 3.06122
31 5LLB 6YZ 3.06122
32 2PL3 ADP 3.06122
33 4V03 ADP 3.06122
34 4YJ1 ADP 3.06122
35 4KBF AMP 3.06122
36 4PX9 ADP 3.06122
37 3AB3 GDP 3.06122
38 5OEC GDP 3.06122
39 2CHG ANP 3.06122
40 4RD0 GDP 3.06122
41 2BCG GDP 3.06122
42 1NJF AGS 3.06122
43 4M9Q GNP 3.06122
44 2F9L GDP 3.06122
45 1NJF ADP 3.06122
46 1KSK URA 3.06122
47 4FBL SPD 3.06122
48 1ZCB GDP 3.06122
49 1VG8 GNP 3.06122
50 3BER AMP 3.06122
51 4OJP MAL 3.06122
52 5MVR ADP 3.08642
53 1VG1 GDP 3.24324
54 2Y8E GNP 3.35196
55 5Z2M GTP 3.40909
56 3NKV GNP 3.42857
57 2HV8 GTP 3.48837
58 3W5J GDP 3.57143
59 5GVR LMR 3.57143
60 4DKX GDP 3.57143
61 2OBM ADP 3.57143
62 2QZ4 ADP 3.57143
63 3DZD ADP 3.57143
64 5LB3 ADP 3.57143
65 1RYH GNP 3.57143
66 3DKP ADP 3.57143
67 1XP8 AGS 3.57143
68 2EFE GNH 3.57143
69 3CPJ GDP 3.57143
70 5EXT ADP 3.57143
71 6B4K ANP 3.57143
72 2QEN ADP 3.57143
73 1Q19 SSC 3.57143
74 5H4S RAM 3.57143
75 2BEK ATP 3.57143
76 2JK0 ASP 3.57143
77 1Z03 OCH 3.57143
78 4WEI GLC GAL 3.57143
79 3ZQ6 ADP ALF 3.57143
80 4UP4 NAG 3.57143
81 4UP4 NDG 3.57143
82 2WKQ GTP 3.57143
83 1H65 GDP 3.57143
84 5A0U CHT 3.57143
85 2D7C GTP 3.59281
86 3REF GDP 3.60825
87 2CJW GDP 3.64583
88 1I4D GDP 3.64583
89 1XPJ TLA 3.96825
90 2HT6 GDP 4.02299
91 4LHW GNP 4.02299
92 3QBT GNP 4.02299
93 4PPF FLC 4.08163
94 3COB ADP 4.08163
95 2IS6 ADP 4.08163
96 3GJ7 GDP 4.08163
97 3GJ0 GDP 4.08163
98 2WIC GNP 4.08163
99 5BXQ GDP 4.08163
100 4NON GDP 4.08163
101 4QOS ADP 4.08163
102 3T1O GDP 4.08163
103 5H7K GDP 4.08163
104 2J0V GDP 4.08163
105 5H7J GCP 4.08163
106 4ZDJ UTP 4.08163
107 2BIF SIN 4.08163
108 2BIF ANP 4.08163
109 1OS1 ATP 4.08163
110 5HR5 ADP 4.08163
111 1OS1 PYR 4.08163
112 2OFW ADX 4.08163
113 1Y0Y L2O VAL VAL ASP 4.08163
114 1L2T ATP 4.08163
115 2EW1 GNP 4.08163
116 1X6V ADP 4.08163
117 4L80 OXL 4.08163
118 5X40 ACP 4.08163
119 4D52 GIV 4.08163
120 5UWU GNP 4.08163
121 5DHF GNP 4.08163
122 5UWJ GNP 4.08163
123 5UWH GNP 4.08163
124 5DIF GNP 4.08163
125 5UWO GNP 4.08163
126 5UWI GNP 4.08163
127 5UWW GNP 4.08163
128 6CIT GNP 4.08163
129 4HAT GNP 4.08163
130 2R42 FPS 4.08163
131 5UWP GNP 4.08163
132 4L9Z OXL 4.08163
133 5DI9 GNP 4.08163
134 5UWS GNP 4.08163
135 3MBI HSX 4.08163
136 1SVI GDP 4.10256
137 1BO4 COA 4.16667
138 1U8Z GDP 4.16667
139 2WJG GDP 4.25532
140 1ZJ6 G3D 4.27807
141 2QN6 GDP 4.30108
142 3WYG GTP 4.3956
143 1YZG GDP 4.46927
144 2PEZ GGZ 4.46927
145 2PEZ DAT 4.46927
146 2CBZ ATP 4.59184
147 1JI0 ATP 4.59184
148 1KK1 GNP 4.59184
149 5HCN GCP 4.59184
150 4IHQ ADP 4.59184
151 4R98 GNH 4.59184
152 1G7S GDP 4.59184
153 1G3Q ADP 4.59184
154 1YTM ATP 4.59184
155 2GK6 ADP 4.59184
156 2IXE ATP 4.59184
157 4CT7 TRP 4.59184
158 1G4U GDP 4.59184
159 3M1I GTP 4.59184
160 4UCC ZKW 4.59184
161 4IA6 EIC 4.59184
162 3LTW HLZ 4.59184
163 2B8W ALF 5GP 4.59184
164 3P4X ADP 4.60048
165 2GJ8 ALF GDP 4.65116
166 1UPT GTP 4.67836
167 1XX6 ADP 4.71204
168 3Q85 GNP 4.73373
169 2ZTS ADP 4.78088
170 3Q72 GNP 4.81928
171 2WJH GDP 4.81928
172 2WJH FLC 4.81928
173 1KMQ GNP 4.8913
174 1IBR GNP 4.97835
175 1Z0F GDP 5.02793
176 5JCZ GDP 5.02793
177 1HTW ADP 5.06329
178 1VHT BA3 5.10204
179 1M7G AV2 5.10204
180 4U00 ADP 5.10204
181 2KIN ADP 5.10204
182 1YRB GDP 5.10204
183 3MD0 GDP 5.10204
184 5CK5 GDP 5.10204
185 4LC1 GDP 5.10204
186 1OXV ANP 5.10204
187 5ZXD ATP 5.10204
188 4IEE AGS 5.10204
189 1F6B GDP 5.10204
190 5Y6N ADP 5.10204
191 1M7G ADX 5.10204
192 1M7G ADP 5.10204
193 3EZ2 ADP 5.10204
194 3B7G ANP 5.10204
195 4P4T GDP 5.10204
196 2OZE AGS 5.10204
197 2C3H GLC GLC 5.10204
198 2FAH GDP 5.10204
199 5J1J ANP 5.10204
200 2QG6 NMN 5.10204
201 4D0G GTP 5.14286
202 3BOS CDP 5.3719
203 3KTA AP5 5.49451
204 1JJV ATP 5.61225
205 1JJ7 ADP 5.61225
206 2VVG ADP 5.61225
207 2WHX ADP 5.61225
208 3CNL GNP 5.61225
209 4E03 ADP 5.61225
210 4LPS GDP 5.61225
211 1V8K ANP 5.61225
212 4B47 GDP 5.61225
213 4DCT GDP 5.61225
214 5W7Q GDP 5.61225
215 5W76 GDP 5.61225
216 5GOE GDP 5.61225
217 1VG9 GDP 5.61225
218 1PUJ GNP 5.61225
219 5W75 GDP 5.61225
220 1P72 ADP 5.61225
221 4PJ3 ANP 5.61225
222 2JLR ANP 5.61225
223 1VG0 GDP 5.61225
224 4R43 GDP 5.61225
225 3TBK ANP 5.61225
226 4H1V GNP 5.61225
227 2C77 GNP 5.61225
228 3IO3 ADP 5.61225
229 2C78 GNP 5.61225
230 5FAW CHT 5.61225
231 4ISS TAR 5.61225
232 4YS0 ADP 5.61225
233 4HBM 0Y7 5.83333
234 2BME GNP 5.91398
235 3KP6 SAL 5.96026
236 1O3Y GTP 6.0241
237 2J59 GTP 6.0241
238 1J2J GTP 6.0241
239 2VB6 ADP BEF 6.04027
240 1MR3 G3D 6.07735
241 1S9D GDP 6.09756
242 1B0U ATP 6.10687
243 6A20 ADP 6.12245
244 2NCD ADP 6.12245
245 1G6O ADP 6.12245
246 5M04 GDP 6.12245
247 2NGR GDP 6.12245
248 5ZBR ANP 6.12245
249 4Q1A UDP 6.12245
250 4Q1A 2XZ 6.12245
251 3FKQ ATP 6.12245
252 3A1S GDP 6.12245
253 5J1S ATP 6.12245
254 5XDR ADP 6.12245
255 2C9O ADP 6.12245
256 4BAS GNP 6.12245
257 1OW3 GDP 6.12245
258 1OYY AGS 6.12245
259 1GRN GDP 6.12245
260 1G7C 5GP 6.12245
261 5IRR GSP 6.12245
262 4BFW ZVW 6.12245
263 3VX3 ADP 6.12245
264 4TTQ ATP 6.12245
265 3WVR AMP 6.12245
266 1ZX5 LFR 6.12245
267 5XC5 GTP 6.25
268 4GOJ GNP 6.34921
269 5UQW GDP 6.34921
270 5OCG GNP 6.34921
271 1Z0K GTP 6.39535
272 3GJ8 GDP 6.52174
273 3AQ4 GDP 6.52174
274 3QF7 ANP 6.57534
275 1FZQ GDP 6.62983
276 5U32 GDP 6.63265
277 1G6H ADP 6.63265
278 1T5C ADP 6.63265
279 4YMU ATP 6.63265
280 1YQT ADP 6.63265
281 5YV5 ADP 6.63265
282 1MKY GDP 6.63265
283 3TMK T5A 6.63265
284 3ZFD ANP 6.63265
285 5IRN ADP 6.63265
286 3EC1 GDP 6.63265
287 5K5Z ANP 6.63265
288 2ORV 4TA 6.63265
289 1D2N ANP 6.63265
290 4YC7 GNP 6.63265
291 2ZPA ADP 6.63265
292 3GJX GTP 6.63265
293 2FNA ADP 6.63265
294 3AKI AH8 6.63265
295 2XTN GTP 6.63265
296 5DNK SAH 6.63265
297 3T34 GDP 6.63265
298 1W4R TTP 6.66667
299 3PCR GTP 6.79012
300 5BQ5 ADP BEF 6.87831
301 1Z0A GDP 6.89655
302 3KO0 TFP 6.93069
303 4YLG GDP 6.93642
304 2C5L GTP 6.93642
305 6FA4 GNP 6.93642
306 4K81 GTP 7.01754
307 4WZ6 ATP 7.14286
308 2PZE ATP 7.14286
309 1R0X ATP 7.14286
310 1OE0 TTP 7.14286
311 1WDT GTP 7.14286
312 5E95 GDP 7.14286
313 2X7I CIT 7.14286
314 5AK0 8V1 7.14286
315 4XTR ADP 7.14286
316 4TMK T5A 7.14286
317 1GWN GTP 7.14286
318 4WGF HX2 7.14286
319 5I0H ADP BEF 7.14286
320 4TMZ GSP 7.14286
321 4XTR ATP 7.14286
322 4XVU ATP 7.14286
323 2WOJ ADP ALF 7.14286
324 3ZS9 ADP ALF 7.14286
325 1Z2A GDP 7.14286
326 4ZG4 VO4 ADP 7.14286
327 1K6M AGS 7.14286
328 3PQC GDP 7.17949
329 1LFD GNP 7.18563
330 5WLB GNP 7.22892
331 3KUD GDP 7.22892
332 1WQ1 GDP 7.22892
333 2UZI GTP 7.22892
334 5KUT GDP 7.40741
335 2O66 FLC 7.40741
336 5DI3 GNP 7.56757
337 2B4B COA 7.60234
338 2B4D COA 7.60234
339 1M7B GTP 7.6087
340 1GOJ ADP 7.65306
341 3U6B GDP 7.65306
342 3EWA ANP 7.65306
343 1NN5 2DT 7.65306
344 1NN5 ANP 7.65306
345 5JBQ GDP 7.65306
346 4G5G GDP 7.65306
347 1DAR GDP 7.65306
348 1D8T GDP 7.65306
349 4JLV ADP 7.65306
350 3U6K GDP 7.65306
351 2BVN GNP 7.65306
352 1UJ2 ADP 7.65306
353 3DEF GDP 7.65306
354 1UJ2 C5P 7.65306
355 4OI4 ATP 7.65306
356 4PC3 GDP 7.65306
357 3RC3 ANP 7.65306
358 5I34 GDP 7.65306
359 3SFV GDP 7.65306
360 5ZI9 FLC 7.65306
361 2Q8M AMP 7.65306
362 4P3Y GDP 7.69231
363 3CH5 GDP 7.69231
364 3T5G GDP 7.89474
365 1KSH GDP 7.89474
366 5TB5 GDP 8
367 5TAR GDP 8.10811
368 1BG2 ADP 8.16327
369 4KFU ACP 8.16327
370 5FTB ANP 8.16327
371 4ZNL BEF ADP 8.16327
372 1D2E GDP 8.16327
373 5FHD ADP ALF 8.16327
374 2GCO GNP 8.16327
375 4FCW ADP 8.16327
376 5VGR GDP 8.16327
377 1FQK GDP 8.16327
378 2GCN GDP 8.16327
379 2JC9 ADN 8.16327
380 3WYF GTP 8.16327
381 1YVD GNP 8.28402
382 2QTV GNP 8.38323
383 1UYY BGC BGC 8.39695
384 4BQS ADP 8.52273
385 4BQS K2Q 8.52273
386 2Y65 ADP 8.67347
387 5TSH ANP 8.67347
388 3BFV ADP 8.67347
389 5TSH ADP 8.67347
390 4HSE ADP 8.67347
391 2ZR9 DTP 8.67347
392 1Z6T ADP 8.67347
393 2J5V PCA 8.67347
394 3HQP OXL 8.67347
395 2XTZ GSP 8.67347
396 4V0K GDP 8.87574
397 3H4S ADP 8.88889
398 5IRC GDP 9.13978
399 2A5F GTP 9.14286
400 2GKS ADP 9.18367
401 1RE0 GDP 9.18367
402 2GDJ ANP 9.18367
403 1SKQ GDP 9.18367
404 4J0Q GDP 9.18367
405 4KVA GTP 9.18367
406 4HI0 GDP 9.18367
407 1FP6 ADP 9.18367
408 2XAU ADP 9.18367
409 1NY5 ADP 9.18367
410 4QRH 0O2 9.18367
411 1IHU AF3 9.18367
412 4ETZ C2E 9.18367
413 1IHU ADP 9.18367
414 3FYH ADP 9.18367
415 1US5 GLU 9.18367
416 3RWO GDP 9.18919
417 2A5J GDP 9.42408
418 1M2O GNP 9.47368
419 1ZD9 GDP 9.57447
420 3B5J 12D 9.69388
421 5YT0 GDP 9.69388
422 1SQ5 ADP 9.69388
423 5L3V GDP 9.69388
424 1G41 ADP 9.69388
425 1OFH ADP 9.69388
426 5L3S GNP 9.69388
427 5KDO GDP 9.69388
428 6CRK GDP 9.69388
429 1Y3A GDP 9.69388
430 1GP2 GDP 9.69388
431 1VKJ A3P 9.69388
432 5L3S G 9.69388
433 3TKL GTP 9.69388
434 4KVG GTP 9.69388
435 4C2C ALA ALA ALA 9.69388
436 3LXR GDP 9.72973
437 6BCB GSP 9.72973
438 6BCA GSP 9.72973
439 6BC0 GSP 9.72973
440 4ZI2 GNP 9.77444
441 3N5C GDP 9.87654
442 5BN3 ADP 10.2041
443 1GOT GDP 10.2041
444 2FJU GSP 10.2041
445 5H6S HDH 10.2041
446 1HE1 GDP 10.3704
447 1CXZ GSP 10.4651
448 2OG2 MLI 10.7143
449 3B9Q MLI 10.7143
450 5N69 ADP 10.7143
451 6G14 G4P 10.7143
452 1QHG ATP 10.7143
453 1E2K TMC 10.7143
454 4Z7X 3CX 10.7143
455 6FAA ADP 10.7143
456 2HUI GLV 10.7143
457 3VMF GTP 10.7143
458 3WXM GTP 10.7143
459 2A9K GDP 10.7623
460 5HPY GDP 10.8108
461 4WOP CTP 11.1111
462 4XSH GSP 11.1732
463 3LRE ADP 11.2245
464 2ZFI ADP 11.2245
465 1XMV ADP 11.2245
466 2Z9I GLY ALA THR VAL 11.2245
467 1IZC PYR 11.2245
468 3Q9L ATP 11.2245
469 2H92 C5P 11.2245
470 5H67 ATP 11.2245
471 5Z69 AGS 11.2245
472 5UIV ADP 11.2245
473 1TX4 ALF GDP 11.2994
474 3MJH GTP 11.3095
475 1KAO GDP 11.3772
476 1KY3 GDP 11.5385
477 4QM7 GTP 11.6959
478 5FG3 GDP 11.7347
479 2CE7 ADP 11.7347
480 1W0J ADP BEF 11.7347
481 1W0J ADP 11.7347
482 1SVM ATP 11.7347
483 2P7Q GG6 12.0301
484 1UAD GNP 12.1212
485 1RL4 BL5 12.234
486 1R6B ADP 12.2449
487 5MZN ADP 12.2449
488 1MJT ITU 12.2449
489 4NE2 ADP 12.2449
490 4NE2 SH2 12.2449
491 1DS6 GDP 12.5
492 1ZUI SKM 12.5
493 1QHH ATP 12.5749
494 3ZIA ADP 12.6984
495 3ZIA ATP 12.6984
496 4AG5 ADP 12.7551
497 5O74 GDP 12.7551
498 5M7P ADP 12.7551
499 5VHC BEF ADP 12.7551
500 4TQK NAG 12.7551
501 5EE5 GTP 12.8655
502 2W2X GSP 12.973
503 1LVG ADP 13.2653
504 2IYL GDP 13.2653
505 5LOG LDP 13.2653
506 1RJ9 GCP 13.2653
507 2RCN GDP 13.7755
508 5ZB0 ADP 13.7755
509 5ZB0 TYD 13.7755
510 2HF9 GSP 13.7755
511 4RW3 SHV 13.7755
512 2FSH ANP 13.7755
513 4RZ3 ADP 13.7755
514 1IN4 ADP 13.7755
515 4DID GDP 13.8158
516 1G16 GDP 14.1176
517 1D5C GDP 14.1975
518 3TK1 GDP 14.2857
519 4NCN GTP 14.2857
520 4R2I ANP 14.2857
521 3GJ5 GDP 14.7059
522 1B7T ADP 14.7436
523 3FWY ADP 14.7959
524 2ZE7 AMP 14.7959
525 5UWR GNP 14.8148
526 4KAX GTP 14.9068
527 1KK8 BEF ADP 14.9351
528 3GJ3 GDP 15.1515
529 3BC1 GNP 15.2542
530 4D0N GDP 15.3061
531 2DPY ADP 15.3061
532 2WMO GTP 15.3061
533 4XGU ADP 15.3061
534 5XKT GNP 15.3061
535 4TL6 ANP 15.3061
536 1GXU 2HP 15.3846
537 3NHB ADP 15.8163
538 3CV2 OXL 15.8163
539 4ITR GDP 15.8163
540 1R4A GNP 16.3636
541 2V7Q ADP 16.4384
542 2V7Q ATP 16.4384
543 2CK3 ANP 16.4384
544 2CK3 ADP 16.4384
545 1NRJ GTP 16.4557
546 4D81 ADP 16.8367
547 3E70 GDP 16.8367
548 1W5T ADP 16.8367
549 1W5T ANP 16.8367
550 1LVK MNT BEF 16.8367
551 3T12 GDP ALF 16.9118
552 6B4H IHP 17.8082
553 3WY9 GDP 17.8571
554 3WYA GDP 17.8571
555 5IFS ADP 17.8571
556 3HU3 AGS 17.8571
557 3IUY AMP 17.8571
558 5L3W GDP 17.9739
559 3GJ4 GDP 18.1818
560 5UWQ GNP 18.1818
561 1TQ4 GDP 18.3673
562 1EK0 GNP 18.8235
563 3FVQ ATP 18.8776
564 5L3R GCP 18.8776
565 2HCJ GDP 18.9189
566 2W58 ADP 19.3878
567 3UIE ANP 19.3878
568 1KO8 6PG 19.4286
569 2FH5 GTP 19.4595
570 5NM7 GLY 19.5489
571 5JCP GDP ALF 19.898
572 6C90 ADP 20.4082
573 5WC2 ADP 21.9388
574 3KJI ADP 21.9388
575 1FNN ADP 22.449
576 4A4Z ANP 22.449
577 1W7J ADP BEF 23.1788
578 2AWN ADP 23.4694
579 2G77 GDP 23.4694
580 3RLF ANP 23.4694
581 5LTJ ADP 23.9796
582 1U0J ADP 23.9796
583 5LTJ BEF 23.9796
584 1CR1 TTP 24.4898
585 2OM2 GDP 25
586 2D2F ADP 25.5102
587 4LJ9 ACP 25.5102
588 1FQJ GDP 26.1905
589 2D7D ADP 30
590 1Y63 ADP 32.6087
591 3A4M ADP 33.6735
592 2W83 GTP 35.0649
593 1RRC ADP 35.2041
594 2JAQ DCP 41.8367
595 5UWT GNP 43.4783
596 1TU3 GNP 44.3038
Pocket No.: 2; Query (leader) PDB : 1Z83; Ligand: AP5; Similar sites found with APoc: 35
This union binding pocket(no: 2) in the query (biounit: 1z83.bio1) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 2RIF AMP None
2 4QAG F95 1.50376
3 1DP2 LPB 1.53061
4 1ZED PNP 2.55102
5 1OIX GDP 2.6178
6 1ORR CDP 3.06122
7 2VL1 GLY GLY 3.06122
8 1Z06 GNP 3.1746
9 3SQP 3J8 3.57143
10 6G47 SIA 3.57143
11 1GG6 APL 3.81679
12 2Z49 AMG 4.08163
13 4CS9 AMP 4.2328
14 5Y02 MXN 4.6729
15 4N7U 2JA 4.73684
16 4C4P GNP 5.20231
17 4WBD CIT 5.61225
18 5OSW DIU 5.61225
19 3X1Z GNP 5.98802
20 2W90 6PG 6.12245
21 2B1N LYS ALA SER VAL GLY 6.12245
22 6AYU MLI 6.63265
23 2YIV YIV 6.63265
24 6D5V FVY 7.18563
25 1WQ1 AF3 7.22892
26 3HQP FDP 8.67347
27 3GNE FLC 9.69388
28 1YXM ADE 10.2041
29 1KNY KAN 11.2245
30 4XZ3 ACP 13.7755
31 4RDI ATP 13.7755
32 1Z0J GTP 16.9492
33 1ZEI CRS 16.9811
34 1QF5 GDP 23.9796
35 1QF5 RPL 23.9796
Pocket No.: 3; Query (leader) PDB : 1Z83; Ligand: AP5; 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: 1z83.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1Z83; Ligand: AP5; Similar sites found with APoc: 37
This union binding pocket(no: 4) in the query (biounit: 1z83.bio2) has 33 residues
No: Leader PDB Ligand Sequence Similarity
1 4MUV PCG None
2 4A91 GLU 1.53061
3 5Z2F PDC 1.53061
4 3K7S R52 1.67598
5 1H5R THM 2.55102
6 1H5T TYD 2.55102
7 4HNN LYS 3.57143
8 6CS8 F9Y 3.57143
9 4XFR CIT 3.98126
10 1ZC3 GNP 4
11 5UI2 SUC 4.08163
12 5IJJ I6P 4.16667
13 6EOM ALA LYS 5.10204
14 1U26 IHS 5.61225
15 4PFO ADP 5.61225
16 5WKC F50 5.61225
17 3CX8 GSP 5.61225
18 6DEF GCP 5.61225
19 2BES RES 5.81395
20 2ZEJ GDP 6.52174
21 3B2Q AES 6.63265
22 5O2T GSP 7.10059
23 5E5U MLI 7.65306
24 2OWZ CIT 7.65306
25 1CLU DBG 7.83133
26 3NGU ADP 7.94702
27 1BH2 GSP 8.16327
28 4WZA ACP 9.18367
29 4WZA ADP 9.18367
30 2ODE ALF GDP 9.69388
31 2DVZ GLU 11.1465
32 3K0T BGC 13.986
33 1YYE 196 14.2857
34 1WUU GLA 14.2857
35 1KDO C 18.3673
36 1CS4 GSP 22.9592
37 3P7I P7I 23.4694
Pocket No.: 5; Query (leader) PDB : 1Z83; Ligand: AP5; 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: 1z83.bio3) has 33 residues
No: Leader PDB Ligand Sequence Similarity
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