Receptor
PDB id Resolution Class Description Source Keywords
2DLN 2.3 Å EC: 6.3.2.4 VANCOMYCIN RESISTANCE: STRUCTURE OF D-ALANINE:D-ALANINE LIGASE AT 2.3 ANGSTROMS RESOLUTION ESCHERICHIA COLI LIGASE(PEPTIDOGLYCAN SYNTHESIS)
Ref.: VANCOMYCIN RESISTANCE: STRUCTURE OF D-ALANINE:D-ALANINE LIGASE AT 2.3 A RESOLUTION. SCIENCE V. 266 439 1994
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;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
PHY A:320;
Valid;
none;
submit data
275.133 C6 H15 N O7 P2 C[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 (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 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 1IOW - PHY C6 H15 N O7 P2 C[C@@H](C[....
10 1IOV - POB C6 H15 N O8 P2 CC[C@H](C(....
11 2DLN - PHY C6 H15 N O7 P2 C[C@@H](C[....
12 4L1K - ANP C10 H17 N6 O12 P3 c1nc(c2c(n....
13 4ME6 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
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 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
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 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Ligand no: 2; Ligand: PHY; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 PHY 1 1
2 P0D 0.519231 0.878049
3 2D8 0.5 0.8
4 LY0 0.5 0.8
5 POB 0.446809 0.829268
6 AEP 0.413043 0.681818
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1IOW; Ligand: PHY; Similar sites found: 254
This union binding pocket(no: 1) in the query (biounit: 1iow.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2V7O DRN 0.0006342 0.49775 1.30719
2 3IGO ANP 0.002648 0.43163 1.30719
3 3HMO STU 0.01608 0.40925 1.30719
4 4EUU BX7 0.007546 0.40038 1.30719
5 2VN9 GVD 0.000748 0.49401 1.3289
6 1V0O INR 0.009463 0.41347 1.38889
7 4WNP 3RJ 0.002105 0.46043 1.39373
8 4XLI 1N1 0.007861 0.42413 1.49254
9 3LXN MI1 0.0008663 0.45689 1.63399
10 4G17 0VN 0.002613 0.45124 1.63399
11 3ALN ANP 0.005494 0.44406 1.63399
12 1CKN GTP 0.01194 0.43109 1.63399
13 3SUT OAN 0.03025 0.40604 1.63399
14 3H7J PPY 0.029 0.40009 1.64609
15 4E1Z 0MX 0.001553 0.43828 1.71821
16 1GSA ADP 0.0000001613 0.61 1.96078
17 2IF8 ADP 0.0005795 0.50611 1.96078
18 4CC6 L5Y 0.0006092 0.49866 1.96078
19 4DFU QUE 0.002181 0.47528 1.96078
20 2B9I ADP 0.001096 0.46052 1.96078
21 2B9J ADP 0.001571 0.4575 1.96078
22 4BTK DTQ 0.001352 0.45628 1.96078
23 2B9H ADP 0.001504 0.45004 1.96078
24 4NFN 2KC 0.02206 0.40265 1.96078
25 5KO1 6UY 0.01438 0.41157 2.12014
26 3VPC ADP 0.0000009023 0.58398 2.12766
27 1BYG STU 0.0009805 0.47197 2.15827
28 5I35 ANP 0.0002768 0.49343 2.28758
29 1XJD STU 0.0002771 0.48362 2.28758
30 1JPA ANP 0.007416 0.4581 2.28758
31 3AKK ADP 0.001135 0.45563 2.28758
32 4OTH DRN 0.001451 0.44312 2.28758
33 1OBD ATP 0.005522 0.43955 2.28758
34 3FHI ANP 0.001063 0.43518 2.28758
35 3PTG 932 0.01308 0.429 2.28758
36 4OAV ACP 0.008533 0.42243 2.28758
37 2GU8 796 0.003079 0.41634 2.28758
38 3HPY MCT 0.0279 0.41573 2.28758
39 2F57 23D 0.01487 0.41435 2.28758
40 1RE8 BD2 0.002561 0.41234 2.28758
41 3TY5 ATP 0.02297 0.41222 2.28758
42 3BU5 ATP 0.01436 0.4083 2.28758
43 4GLW 0XT 0.001705 0.47531 2.29508
44 4I94 ANP 0.001913 0.45343 2.33333
45 4AU8 Z3R 0.003676 0.45297 2.36486
46 1U59 STU 0.003465 0.4372 2.43902
47 1IA9 ANP 0.001815 0.4463 2.5
48 3I0O ADP 0.0004143 0.50131 2.61438
49 5AWM ANP 0.001424 0.47399 2.61438
50 3UIM ANP 0.001556 0.45343 2.61438
51 4LOO SB4 0.00794 0.42036 2.61438
52 4RDL FUC GAL NDG FUC 0.03775 0.41124 2.61438
53 2H8H H8H 0.01294 0.41042 2.61438
54 1Y57 MPZ 0.008514 0.40636 2.61438
55 4W9N TCL 0.04437 0.40474 2.61438
56 1T10 F6P 0.04716 0.40275 2.61438
57 3M2W L8I 0.002129 0.46018 2.67559
58 3PLS ANP 0.0009661 0.46757 2.68456
59 1PHK ATP 0.002232 0.4422 2.68456
60 2CSN CKI 0.00153 0.42873 2.6936
61 3K5I ADP 0.0000005132 0.60144 2.94118
62 4XH0 ADP 0.0004541 0.51333 2.94118
63 3K5I AIR 0.000009354 0.49767 2.94118
64 4PZ6 GMP 0.001647 0.48525 2.94118
65 5X8I SQZ 0.0009979 0.46243 2.94118
66 2Z7R STU 0.0005546 0.46148 2.94118
67 4BFM ANP 0.00109 0.45241 2.94118
68 3CY2 MB9 0.003292 0.42419 2.94118
69 4FG8 ATP 0.005827 0.41976 2.94118
70 4QTB 38Z 0.002678 0.41317 2.94118
71 3PP0 03Q 0.01067 0.40211 2.94118
72 1OUK 084 0.0257 0.40058 2.94118
73 5UOX 8GY 0.004838 0.42011 2.95203
74 1QB7 ADE 0.03559 0.40238 2.9661
75 2ZV2 609 0.001235 0.47713 3.02013
76 2QCS ANP 0.001029 0.43577 3.09278
77 2AQX ATP 0.008056 0.41035 3.11419
78 1CBK ROI 0.02904 0.41758 3.125
79 3B8I OXL 0.009882 0.4451 3.13589
80 2WU6 DKI 0.002377 0.4303 3.14961
81 1YRO UDP 0.03901 0.40728 3.25203
82 3AQV TAK 0.01411 0.40865 3.26087
83 4LH7 1X8 0.001237 0.49644 3.26797
84 4OH4 ANP 0.001179 0.45906 3.26797
85 3KAL ADP 0.0001088 0.45441 3.26797
86 4H3P ANP 0.001778 0.45072 3.26797
87 5LPZ ADP 0.002649 0.44264 3.26797
88 2VZ6 FEF 0.005934 0.43798 3.26797
89 4PU5 ANP 0.001621 0.43747 3.26797
90 4O1P ANP 0.00603 0.42595 3.26797
91 2CFM AMP 0.01333 0.42436 3.26797
92 4U44 3D9 0.006985 0.42296 3.26797
93 2HK1 FUD 0.03283 0.40792 3.26797
94 2B3B GLC 0.03355 0.40742 3.26797
95 2B3B BGC 0.03617 0.40568 3.26797
96 4F9C 0SX 0.0005349 0.4798 3.3241
97 1GOY 3GP 0.02672 0.41705 3.44828
98 4Y8D 49J 0.002491 0.44389 3.57143
99 5D3X 4IP 0.008492 0.44379 3.59281
100 2IO8 ADP 0.000007678 0.53246 3.59477
101 3ZRM ZRM 0.0007117 0.46928 3.59477
102 1O9U ADZ 0.002386 0.46745 3.59477
103 3HZT J60 0.001917 0.46739 3.59477
104 3C0G 3AM 0.001793 0.4639 3.59477
105 5DMZ ADP 0.002915 0.4407 3.59477
106 4X7Q 3YR 0.003797 0.43534 3.59477
107 2PVF ACP 0.005001 0.43352 3.59477
108 4WOV 3SM 0.01018 0.42626 3.59477
109 3KRL KRL 0.008558 0.4092 3.59477
110 3RI1 3RH 0.005775 0.40514 3.59477
111 4QDC ASD 0.02314 0.40165 3.59477
112 3SRV S19 0.003388 0.44159 3.61011
113 1TZD ADP 0.001401 0.49339 3.63636
114 5HX8 66P 0.006283 0.40364 3.64238
115 3GGF GVD 0.003206 0.44691 3.65448
116 1W2D ADP 0.005059 0.44589 3.77358
117 5DA3 58V 0.02446 0.41081 3.77358
118 1I7L ATP 0.000002141 0.55594 3.92157
119 1CM8 ANP 0.002333 0.44931 3.92157
120 4AZT LY2 0.005516 0.44397 3.92157
121 4AZW ATP 0.002879 0.43351 3.92157
122 4ZS4 ATP 0.004692 0.42743 3.92157
123 3GC8 B45 0.005078 0.41919 3.92157
124 3HAV ATP 0.0004297 0.51649 4.01338
125 4LPS GDP 0.02721 0.40145 4.13223
126 3P13 RIP 0.0314 0.40495 4.16667
127 3TII ANP 0.00001376 0.57665 4.24837
128 2HGS ADP 0.00003908 0.50722 4.24837
129 1Q8Y ADE 0.001468 0.47871 4.24837
130 4OCV ANP 0.0004456 0.47419 4.24837
131 3V8S 0HD 0.001179 0.46345 4.24837
132 1Q8Y ADP 0.001933 0.44127 4.24837
133 4NZN 2OU 0.0000283 0.43496 4.24837
134 4NZN ANP 0.0000283 0.43496 4.24837
135 2R7K AMZ 0.0008748 0.43235 4.24837
136 1U5R ATP 0.006909 0.42682 4.31034
137 4FE2 ADP 0.01969 0.41191 4.31373
138 3PDT ADP 0.02373 0.40438 4.36364
139 2F2U M77 0.0005796 0.49388 4.57516
140 4UWH JXM 0.004683 0.43888 4.57516
141 4R78 AMP 0.01094 0.43307 4.57516
142 5LI9 ACP 0.004166 0.4298 4.57516
143 3GQI ACP 0.005628 0.42735 4.57516
144 1ZY5 ANP 0.01276 0.41407 4.62046
145 1PCA CIT 0.004108 0.43141 4.90196
146 4YMJ 4EJ 0.00185 0.48212 4.93421
147 2REG CHT 0.02658 0.41267 5.03356
148 3LQV ADE 0.01191 0.44253 5.12821
149 3DGY 2GP 0.02654 0.41896 5.15464
150 4XBT 3ZQ 0.01578 0.41673 5.16129
151 3SXS PP2 0.01215 0.40541 5.22388
152 3ETH ATP 0.000004989 0.55136 5.22876
153 3TXO 07U 0.00008389 0.52395 5.22876
154 4CQB MLI 0.01236 0.44012 5.22876
155 4JDI ANP 0.002508 0.43619 5.22876
156 4OCJ NDG 0.0006366 0.41228 5.22876
157 3FHR P4O 0.0105 0.4114 5.22876
158 4BCN T9N 0.001982 0.46173 5.34351
159 1MAI I3P 0.02921 0.40458 5.34351
160 2G30 ALA ALA PHE 0.04153 0.40856 5.42636
161 3IDB ANP 0.0009031 0.44843 5.59006
162 2QX0 PH2 0.009264 0.44943 5.66038
163 3X01 AMP 0.0004622 0.5141 5.88235
164 2B9F ADP 0.002214 0.44628 5.88235
165 2WQN ADP 0.02017 0.41138 5.88235
166 4XFR CIT 0.04497 0.41036 5.88235
167 4LRJ ANP 0.01137 0.41646 5.91716
168 5L8L ADP 0.004436 0.4488 5.96491
169 5LXM ADP 0.005239 0.43255 6.00707
170 4YDS ATP 0.02654 0.4169 6.14035
171 5HVJ ANP 0.0004002 0.51856 6.20915
172 1KJ8 ATP 0.00001116 0.47634 6.20915
173 1KJ8 GAR 0.00001229 0.46979 6.20915
174 4KBA 1QM 0.002403 0.46753 6.20915
175 4UX9 ANP 0.0006559 0.4623 6.20915
176 1Z2P ACP 0.00003307 0.45589 6.20915
177 1Z2P I3S 0.00003307 0.45589 6.20915
178 4IZY 1J2 0.001212 0.45035 6.20915
179 2A19 ANP 0.00163 0.47099 6.28571
180 5LXT ACP 0.000004123 0.54933 6.29213
181 3H9R TAK 0.02775 0.41178 6.42202
182 4KS7 X4Z 0.003749 0.42176 6.50685
183 3GNI ATP 0.002827 0.43387 6.53595
184 5USZ SKE 0.006452 0.40057 6.53595
185 2WEL K88 0.00931 0.44151 6.66667
186 1MEX RAC 0.02552 0.40986 7.04225
187 2GQR ADP 0.009418 0.42038 7.173
188 4OUC 5ID 0.004565 0.43943 7.18954
189 4BHN BH9 0.004816 0.42348 7.18954
190 4K33 ACP 0.008699 0.41514 7.18954
191 5NBW 8SK 0.01846 0.41331 7.20721
192 4CFU 2WC 0.001184 0.46798 7.26073
193 3BWR GAL NGA SIA GAL BGC 0.02126 0.4179 7.35294
194 3RE4 TO1 0.004442 0.44877 7.36434
195 1ZTH ADP 0.006132 0.44162 7.36434
196 1ZP9 ATP 0.01095 0.42085 7.36434
197 2PZI AXX 0.00299 0.45283 7.51634
198 2GQS ADP 0.009246 0.42076 7.59494
199 2BKK ADP 0.001862 0.46308 7.95455
200 4AMF ACP 0.03459 0.41078 8.16993
201 2BOS GLA GAL GLC NBU 0.01672 0.42979 8.82353
202 2BOS GLA GAL GLC 0.02095 0.42342 8.82353
203 4BCQ TJF 0.001562 0.47193 9.16031
204 3WVR AMP 0.0001076 0.51869 9.47712
205 1PK8 ATP 0.0000001504 0.59843 9.71564
206 2PUL ACP 0.0004718 0.4824 9.80392
207 2R5T ANP 0.0005388 0.46203 9.80392
208 5T8O 76Z 0.003514 0.42962 9.80392
209 2R85 AMP 0.00299 0.40609 9.80392
210 3IT7 TLA 0.03611 0.4109 9.89011
211 3PVW QRX 0.006929 0.4019 10.1307
212 4U98 ACP 0.0003652 0.48769 10.4575
213 3DAK ANP 0.007435 0.42908 11.0345
214 4GYI ADP 0.0004288 0.49484 11.1111
215 4IDT T28 0.002392 0.4488 11.1111
216 1AUX AGS 0.0000005413 0.61472 11.4379
217 3TDV GDP 0.005721 0.42702 11.7647
218 1TQP ATP 0.002451 0.42648 12.0567
219 2FB3 5AD 0.00816 0.42711 12.0915
220 2FB3 MET 0.009851 0.42698 12.0915
221 3DNT ATP 0.002941 0.42313 12.4183
222 4RL0 3S0 0.0462 0.40002 13.2231
223 4C2W ANP 0.002294 0.46342 13.4615
224 2RIF AMP 0.02868 0.40032 13.4752
225 2V7Q ADP 0.02618 0.40928 14
226 3VPB ADP 0.00000001204 0.644 14.2857
227 3RFA SAM 0.01778 0.40393 14.3791
228 4RJD TFP 0.01912 0.41888 15.1515
229 2QK4 ATP 0.0000313 0.56596 16.3399
230 3GC0 AMP 0.00367 0.44839 17.6292
231 4Q5H ANP 0.003347 0.4379 17.8161
232 3WO0 ALA 0.0000003539 0.52295 17.9739
233 3WO0 ADP 0.0007422 0.45648 17.9739
234 5VZ0 ADP 0.000004545 0.42919 17.9739
235 3KMW ATP 0.0008059 0.47132 18.6047
236 2YRX AMP 0.0002512 0.52781 18.6275
237 2VPQ ANP 0.0000001638 0.60971 18.9542
238 2PYW ADP 0.0002555 0.48065 18.9542
239 3UDZ ADP 0.000905 0.46012 19.6078
240 1T36 ADP 0.00001025 0.51293 19.9346
241 2YW2 ATP 0.00003726 0.5181 20.2614
242 5G1X ADP 0.006754 0.42729 20.6349
243 3VPD ANP 0.0000001384 0.61975 20.6406
244 4DC2 ADE 0.001017 0.49298 21.4286
245 2Q7D ANP 0.00005407 0.48801 23.2026
246 2QF7 AGS 0.000297 0.45427 27.1242
247 3V4S ATP 0.0000004551 0.59704 28.1046
248 3V4S ADP 0.00001835 0.4737 28.1046
249 2VQD AP2 0.000002642 0.56957 29.085
250 2V58 LZJ 0.00005397 0.42591 30.0654
251 4MV1 ADP 0.001821 0.40134 31.3725
252 3ORQ ADP 0.000007791 0.54853 31.6993
253 3VOT ADP 0.0000001867 0.67179 34.6405
254 5K2M ADP 0.00000001021 0.54365 35.1648
Pocket No.: 2; Query (leader) PDB : 1IOW; Ligand: ADP; Similar sites found: 163
This union binding pocket(no: 2) in the query (biounit: 1iow.bio1) has 34 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3IGO ANP 0.002648 0.43163 1.30719
2 4EUU BX7 0.007546 0.40038 1.30719
3 1V0O INR 0.009463 0.41347 1.38889
4 4WNP 3RJ 0.002105 0.46043 1.39373
5 4XLI 1N1 0.007861 0.42413 1.49254
6 3LXN MI1 0.0008663 0.45689 1.63399
7 3SUT OAN 0.03025 0.40604 1.63399
8 3H7J PPY 0.029 0.40009 1.64609
9 4E1Z 0MX 0.001553 0.43828 1.71821
10 4CC6 L5Y 0.0006092 0.49866 1.96078
11 4DFU QUE 0.002181 0.47528 1.96078
12 2B9I ADP 0.001096 0.46052 1.96078
13 5KO1 6UY 0.01438 0.41157 2.12014
14 3VPC ADP 0.0000009023 0.58398 2.12766
15 1BYG STU 0.0009805 0.47197 2.15827
16 5I35 ANP 0.0002768 0.49343 2.28758
17 1XJD STU 0.0002771 0.48362 2.28758
18 1JPA ANP 0.007416 0.4581 2.28758
19 3AKK ADP 0.001135 0.45563 2.28758
20 4OTH DRN 0.001451 0.44312 2.28758
21 4OAV ACP 0.008533 0.42243 2.28758
22 2GU8 796 0.003079 0.41634 2.28758
23 2F57 23D 0.01487 0.41435 2.28758
24 1RE8 BD2 0.002561 0.41234 2.28758
25 1U59 STU 0.003465 0.4372 2.43902
26 1IA9 ANP 0.001815 0.4463 2.5
27 3I0O ADP 0.0004143 0.50131 2.61438
28 5AWM ANP 0.001424 0.47399 2.61438
29 3UIM ANP 0.001556 0.45343 2.61438
30 4RDL FUC GAL NDG FUC 0.03775 0.41124 2.61438
31 2H8H H8H 0.01294 0.41042 2.61438
32 1Y57 MPZ 0.008514 0.40636 2.61438
33 4W9N TCL 0.04437 0.40474 2.61438
34 3PLS ANP 0.0009661 0.46757 2.68456
35 4XH0 ADP 0.0004541 0.51333 2.94118
36 3K5I AIR 0.000009354 0.4826 2.94118
37 3K5I ADP 0.0000005132 0.47565 2.94118
38 5X8I SQZ 0.0009979 0.46243 2.94118
39 4BFM ANP 0.00109 0.45241 2.94118
40 3CY2 MB9 0.003292 0.42419 2.94118
41 3PP0 03Q 0.01067 0.40211 2.94118
42 1OUK 084 0.0257 0.40058 2.94118
43 5UOX 8GY 0.004838 0.42011 2.95203
44 2ZV2 609 0.001235 0.47713 3.02013
45 2AQX ATP 0.008056 0.41035 3.11419
46 1CBK ROI 0.02904 0.41758 3.125
47 1YRO UDP 0.03901 0.40728 3.25203
48 4LH7 1X8 0.001237 0.49644 3.26797
49 4H3P ANP 0.001778 0.45072 3.26797
50 3KAL ADP 0.0001088 0.44843 3.26797
51 5LPZ ADP 0.002649 0.44264 3.26797
52 2VZ6 FEF 0.005934 0.43798 3.26797
53 4PU5 ANP 0.001621 0.43747 3.26797
54 2CFM AMP 0.01333 0.42436 3.26797
55 2B3B GLC 0.03355 0.40742 3.26797
56 2B3B BGC 0.03617 0.40568 3.26797
57 4Y8D 49J 0.002491 0.44389 3.57143
58 5D3X 4IP 0.008492 0.44379 3.59281
59 2IO8 ADP 0.000007678 0.53246 3.59477
60 3HZT J60 0.001917 0.46739 3.59477
61 3C0G 3AM 0.001793 0.4639 3.59477
62 5DMZ ADP 0.002915 0.4407 3.59477
63 4X7Q 3YR 0.003797 0.43534 3.59477
64 2PVF ACP 0.005001 0.43352 3.59477
65 4WOV 3SM 0.01018 0.42626 3.59477
66 3KRL KRL 0.008558 0.4092 3.59477
67 1TZD ADP 0.001401 0.49339 3.63636
68 5HX8 66P 0.006283 0.40364 3.64238
69 1W2D ADP 0.005059 0.44589 3.77358
70 5DA3 58V 0.02446 0.41081 3.77358
71 1I7L ATP 0.000002141 0.47659 3.92157
72 4AZT LY2 0.005516 0.44397 3.92157
73 4ZS4 ATP 0.004692 0.42743 3.92157
74 3GC8 B45 0.005078 0.41919 3.92157
75 3HAV ATP 0.0004297 0.51649 4.01338
76 3P13 RIP 0.0314 0.40495 4.16667
77 3TII ANP 0.00001376 0.57665 4.24837
78 4OCV ANP 0.0004456 0.47419 4.24837
79 3V8S 0HD 0.001179 0.46345 4.24837
80 4NZN ANP 0.0000283 0.43496 4.24837
81 4NZN 2OU 0.0000283 0.43496 4.24837
82 1U5R ATP 0.008135 0.41986 4.31034
83 4FE2 ADP 0.01969 0.41191 4.31373
84 4R78 AMP 0.01094 0.43307 4.57516
85 5LI9 ACP 0.004166 0.4298 4.57516
86 3GQI ACP 0.005628 0.42735 4.57516
87 1PCA CIT 0.004108 0.43141 4.90196
88 4YMJ 4EJ 0.00185 0.48212 4.93421
89 2REG CHT 0.02658 0.41267 5.03356
90 3DGY 2GP 0.02654 0.41896 5.15464
91 4XBT 3ZQ 0.01578 0.41673 5.16129
92 3ETH ATP 0.000004989 0.45129 5.22876
93 4CQB MLI 0.01236 0.44012 5.22876
94 4OCJ NDG 0.0006366 0.42724 5.22876
95 3FHR P4O 0.0105 0.4114 5.22876
96 4BCN T9N 0.001982 0.46173 5.34351
97 1MAI I3P 0.02921 0.40458 5.34351
98 2G30 ALA ALA PHE 0.04153 0.40856 5.42636
99 3IDB ANP 0.0009031 0.44843 5.59006
100 2QX0 PH2 0.009264 0.44943 5.66038
101 3X01 AMP 0.0004622 0.5141 5.88235
102 2WQN ADP 0.02017 0.41138 5.88235
103 4XFR CIT 0.04497 0.41036 5.88235
104 5L8L ADP 0.004436 0.4488 5.96491
105 5LXM ADP 0.005239 0.43255 6.00707
106 4YDS ATP 0.02654 0.4169 6.14035
107 5HVJ ANP 0.0004002 0.51856 6.20915
108 1KJ8 ATP 0.00001116 0.47634 6.20915
109 1KJ8 GAR 0.00001229 0.46979 6.20915
110 4KBA 1QM 0.002403 0.46753 6.20915
111 4UX9 ANP 0.0006559 0.4623 6.20915
112 1Z2P ACP 0.00003307 0.45589 6.20915
113 1Z2P I3S 0.00003307 0.45589 6.20915
114 4IZY 1J2 0.001212 0.45035 6.20915
115 2A19 ANP 0.00163 0.47099 6.28571
116 5LXT ACP 0.000004123 0.54933 6.29213
117 3H9R TAK 0.02775 0.41178 6.42202
118 4KS7 X4Z 0.003749 0.42176 6.50685
119 5USZ SKE 0.006452 0.40057 6.53595
120 4OUC 5ID 0.004565 0.43943 7.18954
121 4BHN BH9 0.004816 0.42348 7.18954
122 5NBW 8SK 0.01846 0.41331 7.20721
123 4CFU 2WC 0.001184 0.46798 7.26073
124 3BWR GAL NGA SIA GAL BGC 0.02126 0.4179 7.35294
125 1ZP9 ATP 0.01095 0.42085 7.36434
126 2PZI AXX 0.00299 0.45283 7.51634
127 2GQS ADP 0.009246 0.42076 7.59494
128 2BKK ADP 0.001862 0.46308 7.95455
129 2BOS GLA GAL GLC NBU 0.01672 0.42979 8.82353
130 2BOS GLA GAL GLC 0.02095 0.42342 8.82353
131 3WVR AMP 0.0001076 0.51869 9.47712
132 1PK8 ATP 0.0000001504 0.59843 9.71564
133 2R5T ANP 0.0005388 0.46203 9.80392
134 5T8O 76Z 0.003514 0.42962 9.80392
135 3IT7 TLA 0.03611 0.4109 9.89011
136 3PVW QRX 0.006929 0.4019 10.1307
137 4U98 ACP 0.0003652 0.48769 10.4575
138 4GYI ADP 0.0004288 0.49484 11.1111
139 3TDV GDP 0.005721 0.42702 11.7647
140 1TQP ATP 0.002451 0.42648 12.0567
141 3DNT ATP 0.002941 0.42313 12.4183
142 4RL0 3S0 0.0462 0.40002 13.2231
143 3VPB ADP 0.00000001204 0.54671 14.2857
144 3RFA SAM 0.01778 0.40393 14.3791
145 4RJD TFP 0.01912 0.41888 15.1515
146 3GC0 AMP 0.00367 0.44839 17.6292
147 3WO0 ALA 0.0007422 0.45648 17.9739
148 3WO0 ADP 0.0007422 0.45648 17.9739
149 5VZ0 ADP 0.000004545 0.42919 17.9739
150 2YRX AMP 0.0002512 0.52781 18.6275
151 2VPQ ANP 0.0000001638 0.50285 18.9542
152 1T36 ADP 0.00001025 0.46465 19.9346
153 2YW2 ATP 0.00003726 0.5181 20.2614
154 5G1X ADP 0.006754 0.42729 20.6349
155 2Q7D ANP 0.00005407 0.43754 23.2026
156 3V4S ATP 0.0000004551 0.48172 28.1046
157 3V4S ADP 0.00001835 0.48096 28.1046
158 2VQD AP2 0.000002642 0.56957 29.085
159 2V58 LZJ 0.00005397 0.4746 30.0654
160 4MV1 ADP 0.001821 0.40134 31.3725
161 3ORQ ADP 0.000007791 0.44459 31.6993
162 3VOT ADP 0.0000001867 0.67179 34.6405
163 5K2M ADP 0.00000001021 0.54365 35.1648
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