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Receptor
PDB id Resolution Class Description Source Keywords
1IOV 2.2 Å EC: 6.3.2.4 COMPLEX OF D-ALA:D-ALA LIGASE WITH ADP AND A PHOSPHORYL PHOSPHONATE ESCHERICHIA COLI GLYCOGEN PHOSPHORYLASE LIGASE CELL WALL PEPTIDOGLYCAN SYNTHESIS VANCOMYCIN ADP BINDING
Ref.: D-ALANINE:D-ALANINE LIGASE: PHOSPHONATE AND PHOSPHINATE INTERMEDIATES WITH WILD TYPE AND THE Y216F MUTANT. BIOCHEMISTRY V. 36 2531 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:310;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
MG A:330;
A:331;
A:332;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
POB A:321;
Valid;
none;
submit data
291.133 C6 H15 N O8 P2 CC[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1IOW 1.9 Å EC: 6.3.2.4 COMPLEX OF Y216F D-ALA:D-ALA LIGASE WITH ADP AND A PHOSPHORYL PHOSPHINATE ESCHERICHIA COLI GLYCOGEN PHOSPHORYLASE LIGASE CELL WALL PEPTIDOGLYCAN SYNTHESIS VANCOMYCIN ADP BINDING
Ref.: D-ALANINE:D-ALANINE LIGASE: PHOSPHONATE AND PHOSPHINATE INTERMEDIATES WITH WILD TYPE AND THE Y216F MUTANT. BIOCHEMISTRY V. 36 2531 1997
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1IOW - PHY C6 H15 N O7 P2 C[C@@H](C[....
2 1IOV - POB C6 H15 N O8 P2 CC[C@H](C(....
3 2DLN - PHY C6 H15 N O7 P2 C[C@@H](C[....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 5BPF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 5C1O - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
3 5BPH - AMP C10 H14 N5 O7 P c1nc(c2c(n....
4 5C1P - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 1IOW - PHY C6 H15 N O7 P2 C[C@@H](C[....
6 1IOV - POB C6 H15 N O8 P2 CC[C@H](C(....
7 2DLN - PHY C6 H15 N O7 P2 C[C@@H](C[....
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2I80 Ki = 4 uM G1L C12 H13 Cl F3 N O CC(C)(CCl)....
2 2I8C - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 3N8D - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
4 5BPF - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 5C1O - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
6 5BPH - AMP C10 H14 N5 O7 P c1nc(c2c(n....
7 5C1P - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
8 1EHI - PHY C6 H15 N O7 P2 C[C@@H](C[....
9 1IOV - POB C6 H15 N O8 P2 CC[C@H](C(....
10 2DLN - PHY C6 H15 N O7 P2 C[C@@H](C[....
11 4L1K - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
12 4ME6 - 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: POB; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 POB 1 1
2 PEZ 0.552632 0.763158
3 PHY 0.446809 0.829268
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1IOW; Ligand: PHY; Similar sites found with APoc: 355
This union binding pocket(no: 1) in the query (biounit: 1iow.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4O4F ATP 0.806452
2 4O4F IHP 0.806452
3 4YZN 4K5 1.0453
4 2V7O DRN 1.30719
5 3IGO ANP 1.30719
6 3HMO STU 1.30719
7 2VN9 GVD 1.3289
8 1V0O INR 1.38889
9 4WNP 3RJ 1.39373
10 3LXN MI1 1.63399
11 4G17 0VN 1.63399
12 3ALN ANP 1.63399
13 1CKN GTP 1.63399
14 4CTA ATP 1.63399
15 3SUT OAN 1.63399
16 3H7J PPY 1.64609
17 4ZGP ADP 1.70648
18 4E1Z 0MX 1.71821
19 1GSA ADP 1.96078
20 2IF8 ADP 1.96078
21 4CC6 L5Y 1.96078
22 4IX4 ADP 1.96078
23 4DFU QUE 1.96078
24 2B9I ADP 1.96078
25 2B9J ADP 1.96078
26 4JR7 GNP 1.96078
27 4BTK DTQ 1.96078
28 2B9H ADP 1.96078
29 1K3A ACP 2.00669
30 5KO1 6UY 2.12014
31 3VPC ADP 2.12766
32 1BYG STU 2.15827
33 3PN1 IVH 2.28758
34 5I35 ANP 2.28758
35 1XJD STU 2.28758
36 1JPA ANP 2.28758
37 3AKK ADP 2.28758
38 5YF9 NIO 2.28758
39 4OTH DRN 2.28758
40 6CMJ F6J 2.28758
41 1OBD ATP 2.28758
42 3FHI ANP 2.28758
43 6FYL 3NG 2.28758
44 3PTG 932 2.28758
45 4WB7 ATP 2.28758
46 4WB6 ATP 2.28758
47 3FSY SCA 2.28758
48 4OAV ACP 2.28758
49 2GU8 796 2.28758
50 3HPY MCT 2.28758
51 2F57 23D 2.28758
52 1RE8 BD2 2.28758
53 3TY5 ATP 2.28758
54 3MVH WFE 2.28758
55 1IR3 ANP 2.28758
56 3BU5 ATP 2.28758
57 4UXL 5P8 2.28758
58 2JDR L20 2.28758
59 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.28758
60 4GLW 0XT 2.29508
61 5GZ9 ANP 2.29508
62 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 2.29508
63 4USF 6UI 2.30263
64 4I94 ANP 2.33333
65 4AU8 Z3R 2.36486
66 6F3G CJN 2.37288
67 1U59 STU 2.43902
68 1IA9 ANP 2.5
69 5U6C 7YS 2.53968
70 5OES ADP 2.61438
71 3I0O ADP 2.61438
72 3KN5 ANP 2.61438
73 5AWM ANP 2.61438
74 5TDF ADP 2.61438
75 3UIM ANP 2.61438
76 5AX9 4KT 2.61438
77 5OMY 9YE 2.61438
78 4RDL FUC GAL NDG FUC 2.61438
79 2H8H H8H 2.61438
80 4LOO SB4 2.61438
81 1MJT ITU 2.61438
82 4W9N TCL 2.61438
83 1T10 F6P 2.61438
84 5MJA 7O3 2.62295
85 3M2W L8I 2.67559
86 3PLS ANP 2.68456
87 1PHK ATP 2.68456
88 2CSN CKI 2.6936
89 5VLQ ANP 2.88625
90 3K5I ADP 2.94118
91 4XZ3 ACP 2.94118
92 4Y0X ADP 2.94118
93 4XH0 ADP 2.94118
94 3K5I AIR 2.94118
95 4PZ6 GMP 2.94118
96 4XYM A12 2.94118
97 6FYV 3NG 2.94118
98 2Z7R STU 2.94118
99 4BFM ANP 2.94118
100 5X8I SQZ 2.94118
101 3CY2 MB9 2.94118
102 4FG8 ATP 2.94118
103 4QTB 38Z 2.94118
104 5K8P 6R8 2.94118
105 3PP0 03Q 2.94118
106 4NFE BEN 2.95359
107 1QB7 ADE 2.9661
108 2ZV2 609 3.02013
109 6CQF F97 3.0303
110 2QCS ANP 3.09278
111 2AQX ATP 3.11419
112 1CBK ROI 3.125
113 3B8I OXL 3.13589
114 2WU6 DKI 3.14961
115 1YRO UDP 3.25203
116 3AQV TAK 3.26087
117 4LH7 1X8 3.26797
118 4OH4 ANP 3.26797
119 4H3P ANP 3.26797
120 3KAL ADP 3.26797
121 5LPZ ADP 3.26797
122 2VZ6 FEF 3.26797
123 4PU5 ANP 3.26797
124 4O1P ANP 3.26797
125 5WNL STU 3.26797
126 2CFM AMP 3.26797
127 4U44 3D9 3.26797
128 2HK1 FUD 3.26797
129 2B3B GLC 3.26797
130 2B3B BGC 3.26797
131 5EQY 5RA 3.26797
132 4F9C 0SX 3.3241
133 1UNH IXM 3.36538
134 5LPB ADP 3.37838
135 4YGF AZM 3.4188
136 4Y8D 49J 3.57143
137 5D3X 4IP 3.59281
138 5DZT AMP 3.59477
139 4NM5 ADP 3.59477
140 3ZRM ZRM 3.59477
141 3HZT J60 3.59477
142 1O9U ADZ 3.59477
143 3C0G 3AM 3.59477
144 3F7Z 34O 3.59477
145 2IO8 ADP 3.59477
146 2YAB AMP 3.59477
147 5MW8 ATP 3.59477
148 5DMZ ADP 3.59477
149 4X7Q 3YR 3.59477
150 2PVF ACP 3.59477
151 4WOV 3SM 3.59477
152 3KRL KRL 3.59477
153 3RI1 3RH 3.59477
154 5HES 032 3.59477
155 3SRV S19 3.61011
156 4L3L 5FI 3.61842
157 1TZD ADP 3.63636
158 5WO4 B7V 3.64238
159 3GGF GVD 3.65448
160 5JZJ AN2 3.7037
161 5KUT GDP 3.7037
162 1W2D ADP 3.77358
163 5A6N U7E 3.88693
164 1I7L ATP 3.92157
165 5Y86 HRM 3.92157
166 1M0W ANP 3.92157
167 3DLS ADP 3.92157
168 5YK1 ANP 3.92157
169 1CM8 ANP 3.92157
170 5ZTN CUR 3.92157
171 4ZS4 ATP 3.92157
172 5E58 CPZ 3.92157
173 4AZW ATP 3.92157
174 4AUA 4AU 3.92157
175 4M69 ANP 3.92157
176 3GC8 B45 3.92157
177 6GIN IR2 3.98671
178 3HAV ATP 4.01338
179 1S68 AMP 4.01606
180 4LPS GDP 4.13223
181 4CM9 YGL 4.16667
182 3P13 RIP 4.16667
183 2HGS ADP 4.24837
184 4NZN ANP 4.24837
185 4NZN 2OU 4.24837
186 1Q8Y ADE 4.24837
187 4OCV ANP 4.24837
188 3V8S 0HD 4.24837
189 1Q8Y ADP 4.24837
190 2R7K ACP 4.24837
191 2R7K AMZ 4.24837
192 2BMB PMM 4.24837
193 3TII ANP 4.24837
194 1U5R ATP 4.31034
195 4FE2 ADP 4.31373
196 3PDT ADP 4.36364
197 2F2U M77 4.57516
198 5LI1 ANP 4.57516
199 4UWH JXM 4.57516
200 4R78 AMP 4.57516
201 5LI9 ACP 4.57516
202 3GQI ACP 4.57516
203 3BOF HCS 4.57516
204 1ZY5 ANP 4.62046
205 3O0G 3O0 4.69799
206 5M06 ADP 4.71014
207 5Y80 IRE 4.72973
208 1PCA CIT 4.90196
209 4YMJ 4EJ 4.93421
210 2REG CHT 5.03356
211 3LQV ADE 5.12821
212 3DGY 2GP 5.15464
213 6C0T EE4 5.18732
214 3TXO 07U 5.22876
215 5UPK ANP 5.22876
216 4CQB MLI 5.22876
217 3ETH ATP 5.22876
218 6A1G 9OL 5.22876
219 4OCJ NDG 5.22876
220 3FHR P4O 5.22876
221 4CFT M48 5.22876
222 4BCN T9N 5.34351
223 1MAI I3P 5.34351
224 4WW7 AMP 5.34759
225 5LMK 6ZK 5.38721
226 2G30 ALA ALA PHE 5.42636
227 4NST ADP 5.55556
228 3IDB ANP 5.59006
229 2QX0 PH2 5.66038
230 3X01 AMP 5.88235
231 2B9F ADP 5.88235
232 2WQN ADP 5.88235
233 4XFR CIT 5.88235
234 4LRJ ANP 5.91716
235 5L8L ADP 5.96491
236 6C7Y ADP 5.98291
237 5LXM ADP 6.00707
238 5ODT ADP 6.00707
239 4YDS ATP 6.14035
240 5HVJ ANP 6.20915
241 1KJ8 ATP 6.20915
242 1KJ8 GAR 6.20915
243 4UX9 ANP 6.20915
244 1Z2P I3S 6.20915
245 1Z2P ACP 6.20915
246 4IZY 1J2 6.20915
247 4KBA 1QM 6.20915
248 5OKT 9XK 6.20915
249 5W4W 9WG 6.20915
250 6BFN DL1 6.20915
251 2A19 ANP 6.28571
252 5LXT ACP 6.29213
253 2X2M X2M 6.36943
254 3H9R TAK 6.42202
255 4KS7 X4Z 6.50685
256 3GNI ATP 6.53595
257 4L9I 8PR 6.53595
258 5USZ SKE 6.53595
259 2WEL K88 6.66667
260 5IM3 DTP 6.86275
261 5EXK 5AD 6.86275
262 1MEX RAC 7.04225
263 2GQR ADP 7.173
264 4OUC 5ID 7.18954
265 4K33 ACP 7.18954
266 6G34 5ID 7.18954
267 5NBW 8SK 7.20721
268 4CFU 2WC 7.26073
269 6GUE FB8 7.28477
270 4BCM T7Z 7.30897
271 3BWR GAL NGA SIA GAL BGC 7.35294
272 5XEG AKG 7.35931
273 3RE4 TO1 7.36434
274 1ZTH ADP 7.36434
275 1ZP9 ATP 7.36434
276 6GZD LCI 7.51634
277 2PZI AXX 7.51634
278 6BXI ANP 7.51634
279 2CST MAE 7.51634
280 2GQS ADP 7.59494
281 5C03 AGS 7.84314
282 5LVP ATP 7.84314
283 4CYI ATP 7.84314
284 2BKK ADP 7.95455
285 4AMF ACP 8.16993
286 5CKW ANP 8.82353
287 2BOS GLA GAL GLC NBU 8.82353
288 2BOS GLA GAL GLC 8.82353
289 4IJP 1EH 9.15033
290 4D52 GXL 9.15033
291 4BCQ TJF 9.16031
292 3WVR AMP 9.47712
293 1PK8 ATP 9.71564
294 6AC9 ANP 9.80392
295 2PUL ACP 9.80392
296 2R5T ANP 9.80392
297 5T8O 76Z 9.80392
298 3IT7 TLA 9.89011
299 5LXB 7A9 10.1307
300 3PVW QRX 10.1307
301 4U98 ACP 10.4575
302 5DBX ANP 10.4575
303 3DAK ANP 11.0345
304 4GYI ADP 11.1111
305 4IDT T28 11.1111
306 5QIN J2V 11.1111
307 1AUX AGS 11.4379
308 5EFQ ADP 11.7647
309 3TDV GDP 11.7647
310 1TQP ATP 12.0567
311 2FB3 5AD 12.0915
312 2FB3 MET 12.0915
313 3DNT ATP 12.4183
314 1RV1 IMZ 12.9412
315 3ZIA ADP 13.1148
316 4C2W ANP 13.4615
317 2RIF AMP 13.4752
318 1Q6I FK5 13.8393
319 2V7Q ADP 14
320 3VPB ADP 14.2857
321 1JBU BEN 14.2857
322 3RFA SAM 14.3791
323 4RJD TFP 15.1515
324 2QK4 ATP 16.3399
325 4UAL 3FV 16.3399
326 3GC0 AMP 17.6292
327 4Q5H ANP 17.8161
328 5HQ0 LZ9 17.8571
329 6GU6 1QK 17.8571
330 3WO0 ADP 17.9739
331 3WO0 ALA 17.9739
332 5VZ0 ADP 17.9739
333 3KMW ATP 18.6047
334 2YRX AMP 18.6275
335 2VPQ ANP 18.9542
336 2PYW ADP 18.9542
337 3UDZ ADP 19.6078
338 1T36 ADP 19.9346
339 2YW2 ATP 20.2614
340 6FL8 TIY 20.2614
341 6FL8 ADP 20.2614
342 5G1X ADP 20.6349
343 3VPD ANP 20.6406
344 4DC2 ADE 21.4286
345 2Q7D ANP 23.2026
346 2QF7 AGS 27.1242
347 3V4S ATP 28.1046
348 3V4S ADP 28.1046
349 2VQD AP2 29.085
350 2V58 LZJ 30.0654
351 4MV1 ADP 31.3725
352 5ZCT ANP 31.6993
353 3ORQ ADP 31.6993
354 3VOT ADP 34.6405
355 5K2M ADP 35.1648
Pocket No.: 2; Query (leader) PDB : 1IOW; Ligand: ADP; Similar sites found with APoc: 354
This union binding pocket(no: 2) in the query (biounit: 1iow.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 4O4F ATP 0.806452
2 4O4F IHP 0.806452
3 4YZN 4K5 1.0453
4 2V7O DRN 1.30719
5 3IGO ANP 1.30719
6 3HMO STU 1.30719
7 2VN9 GVD 1.3289
8 1V0O INR 1.38889
9 4WNP 3RJ 1.39373
10 3LXN MI1 1.63399
11 4G17 0VN 1.63399
12 3ALN ANP 1.63399
13 1CKN GTP 1.63399
14 4CTA ATP 1.63399
15 3H7J PPY 1.64609
16 4ZGP ADP 1.70648
17 4E1Z 0MX 1.71821
18 1GSA ADP 1.96078
19 2IF8 ADP 1.96078
20 4CC6 L5Y 1.96078
21 4IX4 ADP 1.96078
22 4DFU QUE 1.96078
23 2B9I ADP 1.96078
24 2B9J ADP 1.96078
25 4JR7 GNP 1.96078
26 4BTK DTQ 1.96078
27 2B9H ADP 1.96078
28 1K3A ACP 2.00669
29 5KO1 6UY 2.12014
30 3VPC ADP 2.12766
31 1BYG STU 2.15827
32 3PN1 IVH 2.28758
33 5I35 ANP 2.28758
34 1XJD STU 2.28758
35 1JPA ANP 2.28758
36 3AKK ADP 2.28758
37 5YF9 NIO 2.28758
38 4OTH DRN 2.28758
39 6CMJ F6J 2.28758
40 1OBD ATP 2.28758
41 3FHI ANP 2.28758
42 6FYL 3NG 2.28758
43 3PTG 932 2.28758
44 4WB7 ATP 2.28758
45 4WB6 ATP 2.28758
46 3FSY SCA 2.28758
47 4OAV ACP 2.28758
48 2GU8 796 2.28758
49 1RE8 BD2 2.28758
50 3HPY MCT 2.28758
51 2F57 23D 2.28758
52 3TY5 ATP 2.28758
53 3MVH WFE 2.28758
54 2JDR L20 2.28758
55 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.28758
56 1IR3 ANP 2.28758
57 3BU5 ATP 2.28758
58 4UXL 5P8 2.28758
59 4GLW 0XT 2.29508
60 5GZ9 ANP 2.29508
61 4USF 6UI 2.30263
62 4I94 ANP 2.33333
63 4AU8 Z3R 2.36486
64 6F3G CJN 2.37288
65 1U59 STU 2.43902
66 1IA9 ANP 2.5
67 5U6C 7YS 2.53968
68 5OES ADP 2.61438
69 3I0O ADP 2.61438
70 3KN5 ANP 2.61438
71 5AWM ANP 2.61438
72 5TDF ADP 2.61438
73 3UIM ANP 2.61438
74 5AX9 4KT 2.61438
75 5OMY 9YE 2.61438
76 2H8H H8H 2.61438
77 4RDL FUC GAL NDG FUC 2.61438
78 4LOO SB4 2.61438
79 1MJT ITU 2.61438
80 1T10 F6P 2.61438
81 5MJA 7O3 2.62295
82 3M2W L8I 2.67559
83 3PLS ANP 2.68456
84 1PHK ATP 2.68456
85 2CSN CKI 2.6936
86 5VLQ ANP 2.88625
87 3K5I ADP 2.94118
88 4XZ3 ACP 2.94118
89 4Y0X ADP 2.94118
90 4XH0 ADP 2.94118
91 3K5I AIR 2.94118
92 4PZ6 GMP 2.94118
93 4XYM A12 2.94118
94 6FYV 3NG 2.94118
95 2Z7R STU 2.94118
96 6G33 5ID 2.94118
97 4BFM ANP 2.94118
98 5X8I SQZ 2.94118
99 3CY2 MB9 2.94118
100 4FG8 ATP 2.94118
101 4QTB 38Z 2.94118
102 3PP0 03Q 2.94118
103 5K8P 6R8 2.94118
104 4NFE BEN 2.95359
105 1QB7 ADE 2.9661
106 2ZV2 609 3.02013
107 6CQF F97 3.0303
108 2QCS ANP 3.09278
109 2AQX ATP 3.11419
110 1CBK ROI 3.125
111 3B8I OXL 3.13589
112 2WU6 DKI 3.14961
113 1YRO UDP 3.25203
114 3AQV TAK 3.26087
115 4LH7 1X8 3.26797
116 4OH4 ANP 3.26797
117 3KAL ADP 3.26797
118 4H3P ANP 3.26797
119 5LPZ ADP 3.26797
120 2VZ6 FEF 3.26797
121 4PU5 ANP 3.26797
122 4O1P ANP 3.26797
123 5WNL STU 3.26797
124 2CFM AMP 3.26797
125 4U44 3D9 3.26797
126 2HK1 FUD 3.26797
127 2B3B GLC 3.26797
128 2B3B BGC 3.26797
129 5EQY 5RA 3.26797
130 4F9C 0SX 3.3241
131 1UNH IXM 3.36538
132 5LPB ADP 3.37838
133 4YGF AZM 3.4188
134 4Y8D 49J 3.57143
135 5D3X 4IP 3.59281
136 5DZT AMP 3.59477
137 4NM5 ADP 3.59477
138 3ZRM ZRM 3.59477
139 3HZT J60 3.59477
140 1O9U ADZ 3.59477
141 2IO8 ADP 3.59477
142 3F7Z 34O 3.59477
143 5MW8 ATP 3.59477
144 2YAB AMP 3.59477
145 3C0G 3AM 3.59477
146 5DMZ ADP 3.59477
147 4X7Q 3YR 3.59477
148 2PVF ACP 3.59477
149 4WOV 3SM 3.59477
150 3KRL KRL 3.59477
151 3RI1 3RH 3.59477
152 5HES 032 3.59477
153 3SRV S19 3.61011
154 4L3L 5FI 3.61842
155 1TZD ADP 3.63636
156 5WO4 B7V 3.64238
157 3GGF GVD 3.65448
158 5CEO 50D 3.66667
159 5JZJ AN2 3.7037
160 5KUT GDP 3.7037
161 4IRX INS 3.71622
162 1W2D ADP 3.77358
163 5A6N U7E 3.88693
164 1I7L ATP 3.92157
165 5Y86 HRM 3.92157
166 1M0W ANP 3.92157
167 3DLS ADP 3.92157
168 5YK1 ANP 3.92157
169 1CM8 ANP 3.92157
170 5ZTN CUR 3.92157
171 4ZS4 ATP 3.92157
172 4AZW ATP 3.92157
173 4AUA 4AU 3.92157
174 4M69 ANP 3.92157
175 3GC8 B45 3.92157
176 6GIN IR2 3.98671
177 3HAV ATP 4.01338
178 1S68 AMP 4.01606
179 4LPS GDP 4.13223
180 4CM9 YGL 4.16667
181 3P13 RIP 4.16667
182 2HGS ADP 4.24837
183 4NZN ANP 4.24837
184 4NZN 2OU 4.24837
185 1Q8Y ADE 4.24837
186 4OCV ANP 4.24837
187 3V8S 0HD 4.24837
188 1Q8Y ADP 4.24837
189 2R7K ACP 4.24837
190 2R7K AMZ 4.24837
191 2BMB PMM 4.24837
192 3TII ANP 4.24837
193 1U5R ATP 4.31034
194 4FE2 ADP 4.31373
195 3PDT ADP 4.36364
196 2F2U M77 4.57516
197 5LI1 ANP 4.57516
198 4UWH JXM 4.57516
199 4R78 AMP 4.57516
200 5LI9 ACP 4.57516
201 3GQI ACP 4.57516
202 1ZY5 ANP 4.62046
203 3O0G 3O0 4.69799
204 5M06 ADP 4.71014
205 5Y80 IRE 4.72973
206 1PCA CIT 4.90196
207 4YMJ 4EJ 4.93421
208 2REG CHT 5.03356
209 3LQV ADE 5.12821
210 3DGY 2GP 5.15464
211 6C0T EE4 5.18732
212 3TXO 07U 5.22876
213 5UPK ANP 5.22876
214 3ETH ATP 5.22876
215 4CQB MLI 5.22876
216 6A1G 9OL 5.22876
217 4OCJ NDG 5.22876
218 3FHR P4O 5.22876
219 4CFT M48 5.22876
220 4BCN T9N 5.34351
221 1MAI I3P 5.34351
222 4WW7 AMP 5.34759
223 5LMK 6ZK 5.38721
224 2G30 ALA ALA PHE 5.42636
225 4NST ADP 5.55556
226 3IDB ANP 5.59006
227 2QX0 PH2 5.66038
228 3X01 AMP 5.88235
229 2B9F ADP 5.88235
230 2WQN ADP 5.88235
231 4XFR CIT 5.88235
232 4LRJ ANP 5.91716
233 5L8L ADP 5.96491
234 6C7Y ADP 5.98291
235 5LXM ADP 6.00707
236 5ODT ADP 6.00707
237 4YDS ATP 6.14035
238 5HVJ ANP 6.20915
239 1KJ8 ATP 6.20915
240 1KJ8 GAR 6.20915
241 4UX9 ANP 6.20915
242 4KBA 1QM 6.20915
243 1Z2P ACP 6.20915
244 1Z2P I3S 6.20915
245 4IZY 1J2 6.20915
246 5OKT 9XK 6.20915
247 5W4W 9WG 6.20915
248 2RIO ADP 6.20915
249 6BFN DL1 6.20915
250 2A19 ANP 6.28571
251 5LXT ACP 6.29213
252 2X2M X2M 6.36943
253 3H9R TAK 6.42202
254 4KS7 X4Z 6.50685
255 3GNI ATP 6.53595
256 4L9I 8PR 6.53595
257 5USZ SKE 6.53595
258 2WEL K88 6.66667
259 5IM3 DTP 6.86275
260 5EXK 5AD 6.86275
261 1MEX RAC 7.04225
262 2GQR ADP 7.173
263 4BHN BH9 7.18954
264 4OUC 5ID 7.18954
265 4K33 ACP 7.18954
266 6G34 5ID 7.18954
267 5NBW 8SK 7.20721
268 4CFU 2WC 7.26073
269 6GUE FB8 7.28477
270 4BCM T7Z 7.30897
271 5XEG AKG 7.35931
272 3RE4 TO1 7.36434
273 1ZTH ADP 7.36434
274 1ZP9 ATP 7.36434
275 6GZD LCI 7.51634
276 2PZI AXX 7.51634
277 6BXI ANP 7.51634
278 2CST MAE 7.51634
279 2GQS ADP 7.59494
280 5C03 AGS 7.84314
281 5LVP ATP 7.84314
282 4CYI ATP 7.84314
283 2BKK ADP 7.95455
284 4AMF ACP 8.16993
285 5CKW ANP 8.82353
286 2BOS GLA GAL GLC NBU 8.82353
287 2BOS GLA GAL GLC 8.82353
288 4IJP 1EH 9.15033
289 4D52 GIV 9.15033
290 4D52 GXL 9.15033
291 4BCQ TJF 9.16031
292 3WVR AMP 9.47712
293 1PK8 ATP 9.71564
294 6AC9 ANP 9.80392
295 2PUL ACP 9.80392
296 2R5T ANP 9.80392
297 5T8O 76Z 9.80392
298 5LXB 7A9 10.1307
299 3PVW QRX 10.1307
300 4U98 ACP 10.4575
301 5DBX ANP 10.4575
302 1M6P M6P 10.5263
303 3DAK ANP 11.0345
304 4GYI ADP 11.1111
305 4IDT T28 11.1111
306 5QIN J2V 11.1111
307 1AUX AGS 11.4379
308 5EFQ ADP 11.7647
309 3TDV GDP 11.7647
310 1TQP ATP 12.0567
311 2FB3 5AD 12.0915
312 2FB3 MET 12.0915
313 3DNT ATP 12.4183
314 1RV1 IMZ 12.9412
315 3ZIA ADP 13.1148
316 4C2W ANP 13.4615
317 2RIF AMP 13.4752
318 2V7Q ADP 14
319 3VPB ADP 14.2857
320 1JBU BEN 14.2857
321 3RFA SAM 14.3791
322 3SK2 GRI 14.3939
323 2QK4 ATP 16.3399
324 4UAL 3FV 16.3399
325 3GC0 AMP 17.6292
326 4Q5H ANP 17.8161
327 5HQ0 LZ9 17.8571
328 6GU6 1QK 17.8571
329 3WO0 ADP 17.9739
330 3WO0 ALA 17.9739
331 5VZ0 ADP 17.9739
332 3KMW ATP 18.6047
333 2YRX AMP 18.6275
334 2VPQ ANP 18.9542
335 2PYW ADP 18.9542
336 3UDZ ADP 19.6078
337 1T36 ADP 19.9346
338 2YW2 ATP 20.2614
339 6FL8 TIY 20.2614
340 6FL8 ADP 20.2614
341 5G1X ADP 20.6349
342 3VPD ANP 20.6406
343 4DC2 ADE 21.4286
344 2Q7D ANP 23.2026
345 2QF7 AGS 27.1242
346 3V4S ATP 28.1046
347 3V4S ADP 28.1046
348 2VQD AP2 29.085
349 2V58 LZJ 30.0654
350 4MV1 ADP 31.3725
351 5ZCT ANP 31.6993
352 3ORQ ADP 31.6993
353 3VOT ADP 34.6405
354 5K2M ADP 35.1648
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