Receptor
PDB id Resolution Class Description Source Keywords
2PYW 1.9 Å EC: 2.7.1.100 STRUCTURE OF A. THALIANA 5-METHYLTHIORIBOSE KINASE IN COMPLE AND MTR ARABIDOPSIS THALIANA 5-METHYLTHIORIBOSE KINASE PLANT METHIONINE RECYCLING REFOLTRANSFERASE
Ref.: STRUCTURE OF A. THALIANA 5-METHYLTHIORIBOSE KINASE COMPLEX WITH ADP AND MTR REVEALS A MORE OCCLUDED AC THAN ITS BACTERIAL HOMOLOG BMC STRUCT.BIOL. V. 7 70 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:999;
B:999;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
CL A:888;
B:888;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
EDO A:801;
B:802;
B:803;
B:804;
B:805;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
MG A:500;
A:501;
A:502;
B:500;
B:501;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
submit data
24.305 Mg [Mg+2...
SR1 A:998;
B:998;
Valid;
Valid;
none;
none;
submit data
180.222 C6 H12 O4 S CSC[C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2PYW 1.9 Å EC: 2.7.1.100 STRUCTURE OF A. THALIANA 5-METHYLTHIORIBOSE KINASE IN COMPLE AND MTR ARABIDOPSIS THALIANA 5-METHYLTHIORIBOSE KINASE PLANT METHIONINE RECYCLING REFOLTRANSFERASE
Ref.: STRUCTURE OF A. THALIANA 5-METHYLTHIORIBOSE KINASE COMPLEX WITH ADP AND MTR REVEALS A MORE OCCLUDED AC THAN ITS BACTERIAL HOMOLOG BMC STRUCT.BIOL. V. 7 70 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PYW - SR1 C6 H12 O4 S CSC[C@@H]1....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2PYW - SR1 C6 H12 O4 S CSC[C@@H]1....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2PUL - ACP C11 H18 N5 O12 P3 c1nc(c2c(n....
2 2PUN - SR1 C6 H12 O4 S CSC[C@@H]1....
3 2OLC - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 2PUI - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 2PYW - SR1 C6 H12 O4 S CSC[C@@H]1....
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: SR1; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 SR1 1 1
2 Z6J 0.466667 0.764706
3 AHR 0.466667 0.764706
4 32O 0.466667 0.764706
5 RIB 0.466667 0.764706
6 FUB 0.466667 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2PYW; Ligand: SR1; Similar sites found: 21
This union binding pocket(no: 1) in the query (biounit: 2pyw.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3KA2 2NC 0.0372 0.42298 0.985222
2 3WCZ NAP 0.03017 0.41158 1.2987
3 4GCZ FMN 0.01455 0.41391 1.55844
4 3EYA TDP 0.0288 0.40722 1.66667
5 4C2X NHW 0.0228 0.42892 1.70732
6 1LQA NDP 0.04662 0.40588 2.02312
7 1ZOA 140 0.03499 0.41335 2.38095
8 3MMH SME 0.01611 0.40121 2.39521
9 3VRV YSD 0.04294 0.41831 2.58303
10 3P3G 3P3 0.02702 0.41238 2.66667
11 3P3G UKW 0.02702 0.41238 2.66667
12 4HY1 19X 0.01148 0.41184 3.07692
13 3OLL EST 0.02071 0.40118 3.33333
14 4MGB XDH 0.01321 0.4135 3.52941
15 3KF3 FRU 0.03285 0.40495 4.28571
16 2H92 C5P 0.0127 0.4099 5.47945
17 3IS2 FAD 0.03489 0.40529 5.84416
18 4NG2 OHN 0.02127 0.41341 7.6087
19 4DM8 REA 0.005333 0.44177 10.1124
20 3FAL LO2 0.04924 0.40156 15.0376
21 3L0E G58 0.009428 0.43478 15.415
Pocket No.: 2; Query (leader) PDB : 2PYW; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 2pyw.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2PYW; Ligand: ADP; Similar sites found: 408
This union binding pocket(no: 3) in the query (biounit: 2pyw.bio1) has 22 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4CQK PIO 0.02895 0.40343 None
2 4H3Q ANP 0.00000966 0.52465 1.10497
3 1O9U ADZ 0.0000032 0.60681 1.42857
4 1M0W ANP 0.0002264 0.44292 1.42857
5 4XH0 ADP 0.000002596 0.61042 1.48883
6 4DC2 ADE 0.0000006471 0.46582 1.51515
7 3EKK GS2 0.0000953 0.40305 1.62866
8 5NKB 8ZT 0.00002226 0.40071 1.63399
9 3GGF GVD 0.000002543 0.57177 1.66113
10 3HZT J60 0.000009884 0.47843 1.66667
11 3TTI KBI 0.00008808 0.44051 1.66667
12 2IO8 ADP 0.0004551 0.43063 1.66667
13 5FXD H7Y 0.01019 0.4017 1.66667
14 3ETH ATP 0.00009082 0.48084 1.69014
15 5LI1 ANP 0.0000006427 0.57231 1.69492
16 3TXO 07U 0.00000006852 0.5741 1.69972
17 5LI9 ACP 0.0000003299 0.58892 1.71429
18 3W0O ADP 0.000005281 0.46371 1.7192
19 3W0O HY0 0.000005281 0.46371 1.7192
20 2VQD AP2 0.0001714 0.46691 1.72414
21 2Q7D ANP 0.0001885 0.43419 1.7341
22 3MVH WFE 0.000003943 0.55442 1.75439
23 4ME6 ADP 0.0000339 0.43381 1.81347
24 3GC0 AMP 0.00001971 0.46889 1.82371
25 3ALN ANP 0.000239 0.46081 1.83486
26 4IZY 1J2 0.00002252 0.50418 1.89702
27 2RIO ADP 0.00002212 0.48767 1.90476
28 5U6C 7YS 0.00009187 0.47071 1.90476
29 4CYI ATP 0.0002312 0.46142 1.90476
30 3VRY B43 0.00004386 0.46122 1.90476
31 2YRX AMP 0.000003171 0.45538 1.90476
32 4Y93 746 0.0001635 0.44224 1.90476
33 1OPK P16 0.0002504 0.40581 1.90476
34 3PTG 932 0.00006095 0.44786 1.92837
35 5VCV 1N1 0.00002225 0.47947 1.92926
36 4YLL 4E3 0.00002756 0.50517 1.93906
37 3E7O 35F 0.0002118 0.47978 1.94444
38 4I6H 1C8 0.0001343 0.4813 1.94805
39 1OBD ATP 0.0001491 0.44238 1.96078
40 4OCJ NDG 0.0000008752 0.59635 2.11082
41 4CS9 AMP 0.003957 0.44688 2.1164
42 3LXK MI1 0.00003715 0.45348 2.14067
43 5VZ0 ADP 0.0000165 0.49022 2.14286
44 1LFW AEP 0.009567 0.41463 2.14286
45 4A4X JUP 0.00002157 0.46473 2.15054
46 4UWH JXM 0.0001261 0.49351 2.16306
47 4RDL FUC GAL NDG FUC 0.02273 0.40638 2.27273
48 5AWM ANP 0.00002928 0.53652 2.28426
49 3A6T 8OG 0.003061 0.42533 2.32558
50 1K3A ACP 0.00001629 0.47479 2.34114
51 3UDZ ADP 0.000001141 0.55129 2.38095
52 5CKW ANP 0.00000006896 0.54913 2.38095
53 3WVR AMP 0.000001529 0.52071 2.38095
54 3FHR P4O 0.00007683 0.4867 2.38095
55 4AXD ANP 0.00001727 0.41934 2.38095
56 2CFM AMP 0.0107 0.41226 2.38095
57 1EHI ADP 0.001044 0.43776 2.38727
58 4CRL C1I 0.00002806 0.42819 2.45614
59 4EUU BX7 0.00002829 0.51103 2.50784
60 2OO8 RAJ 0.004844 0.40734 2.52366
61 2OFV 242 0.0001135 0.49789 2.52708
62 3PDT ADP 0.00001739 0.53323 2.54545
63 4ASE AV9 0.00007782 0.4938 2.54958
64 4X7Q 3YR 0.000001746 0.56451 2.5641
65 4QMN DB8 0.0000304 0.4171 2.58065
66 5BYZ 4WE 0.0005737 0.40058 2.58621
67 4ZS4 ATP 0.000001955 0.55555 2.60586
68 3TDV GDP 0.000009132 0.53281 2.61438
69 3VOT ADP 0.00001987 0.47429 2.61905
70 4PU5 ANP 0.0004877 0.43506 2.61905
71 2WU6 DKI 0.00004406 0.47654 2.62467
72 5FWE OGA 0.01593 0.41502 2.62467
73 5LY2 OGA 0.0187 0.41151 2.62467
74 1ZY5 ANP 0.00001192 0.49379 2.64026
75 5JZJ AN2 0.000004144 0.55478 2.6936
76 4G17 0VN 0.000002619 0.50688 2.72727
77 5VC5 96M 0.00009336 0.49034 2.76817
78 2AQX ATP 0.0000653 0.48694 2.76817
79 5TDF ADP 0.0004983 0.44731 2.77778
80 3VHE 42Q 0.00008384 0.42657 2.78552
81 4DFU QUE 0.00007744 0.53055 2.79503
82 5C4L 4XR 0.0001897 0.4819 2.80374
83 5C4L SIS 0.003124 0.42802 2.80374
84 4C2V YJA 0.0003001 0.47151 2.80702
85 2DTJ THR 0.01787 0.40139 2.80899
86 3AB4 THR 0.01852 0.40064 2.80899
87 3LXN MI1 0.000002793 0.54252 2.83019
88 2Q8C AKG 0.01814 0.41232 2.84091
89 3VPD ANP 0.0000815 0.48284 2.84698
90 4AG8 AXI 0.00004343 0.41107 2.8481
91 1Y57 MPZ 0.00003548 0.50048 2.85714
92 2H8H H8H 0.00001997 0.49318 2.85714
93 1T36 ADP 0.0006773 0.45276 2.85714
94 3VSV XYS 0.006764 0.4368 2.85714
95 4M69 ANP 0.0001054 0.47584 2.8754
96 2Z77 NCA 0.02301 0.40412 2.8777
97 3TII ANP 0.000004328 0.48745 2.89474
98 4EWH T77 0.00004284 0.45039 2.90909
99 4CSV STI 0.0007745 0.42627 2.90909
100 5HWK BEZ 0.005442 0.43875 2.91667
101 5FBN 5WF 0.0001653 0.48911 2.95203
102 3Q60 ATP 0.000007185 0.50468 2.96496
103 5EKO N17 0.0003768 0.45657 2.96496
104 4BTK DTQ 0.00000145 0.53962 2.96736
105 3GC8 B45 0.00007026 0.47449 2.97297
106 3K5I ADP 0.0001009 0.47665 2.97767
107 4GJ3 0XP 0.000003866 0.55673 2.98013
108 5EFQ ADP 0.00001384 0.52485 2.98507
109 4AZT LY2 0.00003448 0.4592 2.9877
110 1QVJ RP5 0.01648 0.41261 3.08219
111 4E1Z 0MX 0.00002443 0.48611 3.09278
112 4WNK 453 0.000005093 0.47252 3.09524
113 4UAL 3FV 0.0000001759 0.5757 3.10263
114 1V0O INR 0.00003372 0.50214 3.125
115 5MY8 RXZ 0.00001177 0.48439 3.13316
116 4NST ADP 0.00001651 0.49757 3.1339
117 1U5R ATP 0.000005766 0.54831 3.16092
118 5DH3 5BS 0.0005047 0.44708 3.1746
119 3CY2 MB9 0.000002815 0.52325 3.18471
120 5LXC 7AA 0.0000007315 0.53395 3.18627
121 2VZ6 FEF 0.00005493 0.51653 3.19489
122 4C2W ANP 0.00000339 0.4927 3.22581
123 4O4F ATP 0.000007243 0.48978 3.22581
124 4O4F IHP 0.000008122 0.48039 3.22581
125 3D91 REM 0.04217 0.40051 3.22581
126 4NFN 2KC 0.0000009338 0.58398 3.23625
127 5AX9 4KT 0.00002974 0.51018 3.24675
128 2V7O DRN 0.00000005599 0.54212 3.27381
129 5GZ9 ANP 0.00001043 0.52322 3.27869
130 2WL9 MBD 0.02005 0.40858 3.27869
131 5IH9 6BF 0.00001104 0.54339 3.28358
132 3KRL KRL 0.00005973 0.48858 3.28358
133 4BFM ANP 0.000001811 0.55046 3.29341
134 5I35 ANP 0.0000005068 0.59596 3.30789
135 2XVD AS6 0.0001682 0.48091 3.31126
136 3SXF BK5 0.00001776 0.53251 3.33333
137 4U98 ACP 0.00001651 0.52769 3.33333
138 4O1P ANP 0.000004083 0.52231 3.33333
139 4IJP 1EH 0.00001899 0.50731 3.35196
140 4LH7 1X8 0.005007 0.43355 3.40557
141 4KS7 X4Z 0.00003024 0.48222 3.42466
142 4YZC STU 0.000009295 0.54834 3.45679
143 1U59 STU 0.000003385 0.55183 3.48432
144 5HVJ ANP 0.00000546 0.5915 3.49206
145 4D4U FUC NDG GAL FUC 0.01429 0.41659 3.49206
146 2YAK OSV 0.000001898 0.56841 3.50877
147 4EN4 GT1 0.01607 0.40416 3.52564
148 4EN4 ATP 0.01607 0.40416 3.52564
149 4EN4 GT0 0.01607 0.40416 3.52564
150 5A6N U7E 0.000001336 0.54921 3.53357
151 5KO1 6UY 0.00001917 0.52477 3.53357
152 2HGS ADP 0.0003612 0.45736 3.57143
153 2EXX NAP 0.01687 0.40008 3.59477
154 1BYG STU 0.00001194 0.48948 3.59712
155 3V4S ATP 0.00007346 0.47428 3.61757
156 5CEO 50D 0.00002013 0.49304 3.66667
157 2B9J ADP 0.000001576 0.57373 3.68272
158 2B9I ADP 0.000001169 0.5722 3.68272
159 2B9H ADP 0.00000174 0.54431 3.68272
160 2B9F ADP 0.000002932 0.52607 3.68272
161 5W0N UPU 0.02355 0.4036 3.72208
162 3Q8G PEE 0.02324 0.40844 3.75
163 1Q8Y ADP 0.00002769 0.50039 3.75335
164 1Q8Y ADE 0.00002139 0.45822 3.75335
165 4CC6 L5Y 0.009943 0.41818 3.77358
166 3HMO STU 0.00002639 0.51851 3.80117
167 5MW8 ATP 0.000001378 0.56084 3.80952
168 4Y8D 49J 0.000003324 0.55218 3.80952
169 1PK8 ATP 0.0002282 0.43563 3.80952
170 4OTH DRN 0.000009035 0.51235 3.81232
171 3GNI ATP 0.00007774 0.48143 3.81232
172 4U44 3D9 0.000004566 0.51958 3.91566
173 2ET1 GLV 0.006465 0.43501 3.9801
174 3AQV TAK 0.0003592 0.44352 3.98551
175 3C0G 3AM 0.000001115 0.59654 3.9886
176 1TZD ADP 0.0000002505 0.45834 4
177 2WA4 069 0.007448 0.41567 4.01146
178 2R5T ANP 0.00001057 0.50915 4.02145
179 2ZV2 609 0.000001393 0.60059 4.02685
180 3PE2 E1B 0.000006113 0.56813 4.04762
181 4AZW ATP 0.00002332 0.50354 4.04762
182 5UIU 8CG 0.00007954 0.49692 4.04762
183 2JLD AG1 0.000005351 0.45125 4.04762
184 3SXS PP2 0.0001801 0.466 4.10448
185 5DMZ ADP 0.000002414 0.55831 4.10959
186 2X2M X2M 0.000006098 0.53074 4.14013
187 4F9C 0SX 0.000001126 0.53577 4.16667
188 4WB7 ATP 0.00001128 0.43148 4.19753
189 5JFS 6K0 0.0003328 0.48205 4.22078
190 4AUA 4AU 0.0002236 0.47664 4.23453
191 5IQD GNP 0.00002421 0.52959 4.2623
192 5IQD RIO 0.00002611 0.52959 4.2623
193 4YMJ 4EJ 0.000001746 0.62009 4.27632
194 4CLI 5P8 0.0001327 0.50395 4.28135
195 2J7T 274 0.0004161 0.46525 4.30464
196 3TKI S25 0.00001108 0.56338 4.33437
197 2HY0 306 0.00002882 0.52977 4.34783
198 1E4E ADP 0.001817 0.42008 4.37318
199 4J6C STR 0.02131 0.40583 4.39024
200 2PVF ACP 0.000004039 0.55529 4.49102
201 1KDK DHT 0.001956 0.41118 4.51977
202 2VPQ ANP 0.00004046 0.49803 4.52381
203 1GPM AMP 0.03163 0.40865 4.52381
204 5N87 N66 0.00007252 0.40831 4.52381
205 4JR7 GNP 0.000001801 0.56392 4.54545
206 3C1X CKK 0.001247 0.43243 4.55764
207 3UIM ANP 0.0001333 0.46111 4.60123
208 4K33 ACP 0.00001519 0.50383 4.61538
209 4UX9 ANP 0.000006636 0.52662 4.67033
210 5C03 AGS 0.0000179 0.51991 4.67836
211 3PLS ANP 0.00003255 0.47876 4.69799
212 4OCV ANP 0.0000006208 0.56395 4.74934
213 4GYI ADP 0.000000002658 0.72051 4.78589
214 3RI1 3RH 0.00000191 0.5619 4.79233
215 4Y85 499 0.0003752 0.46649 4.81928
216 5UR1 YY9 0.0002343 0.49142 4.82315
217 5JKG 6LF 0.0003281 0.47982 4.82315
218 4R78 AMP 0.00009485 0.51869 4.85437
219 1RE8 BD2 0.000002949 0.58278 4.85714
220 3FHI ANP 0.000002573 0.55628 4.85714
221 2QCS ANP 0.000002919 0.5539 4.85714
222 4WB6 ATP 0.000003361 0.55124 4.85714
223 4OUJ LBT 0.001761 0.46323 4.88599
224 3AKK ADP 0.00005999 0.4813 4.92308
225 4L3L 5FI 0.000001732 0.57016 4.93421
226 4CFU 2WC 0.00002836 0.52342 4.9505
227 4BCQ TJF 0.00008426 0.44431 4.98339
228 4BCM T7Z 0.0001391 0.41901 4.98339
229 4BCN T9N 0.00003771 0.52426 5
230 2YW2 ATP 0.00009651 0.47746 5
231 2QF7 AGS 0.008091 0.40564 5
232 2XMY CDK 0.00009714 0.52831 5.03356
233 1PHK ATP 0.00002564 0.496 5.03356
234 4WOV 3SM 0.0001506 0.49582 5.04732
235 5LMK 6ZK 0.0003262 0.43059 5.05051
236 2QLU ADE 0.0003566 0.49804 5.09554
237 4FE2 ADP 0.0004642 0.47271 5.09804
238 4FE2 AIR 0.01804 0.4012 5.09804
239 2DUR MAN MAN 0.01659 0.40317 5.13834
240 1AUX AGS 0.00005209 0.49945 5.14469
241 3ORK AGS 0.000005123 0.49712 5.14469
242 4N70 2HX 0.000004046 0.57904 5.18293
243 4YZN 4K5 0.000003788 0.51814 5.22648
244 3KN5 ANP 0.000009993 0.48175 5.23077
245 3IGO ANP 0.000002655 0.53346 5.2381
246 4L9I 8PR 0.0001176 0.48923 5.2381
247 3DNT ATP 0.0001779 0.47253 5.2381
248 4ANW O92 0.000402 0.46896 5.2381
249 5HX8 66P 0.00003569 0.45823 5.29801
250 5TA6 79D 0.00008098 0.43792 5.30726
251 5EOB 5QQ 0.0004172 0.49022 5.32915
252 4G31 0WH 0.00009816 0.40741 5.35117
253 1OI6 TMP 0.0275 0.40503 5.36585
254 4BKJ STI 0.001388 0.40619 5.39683
255 3PVW QRX 0.000001336 0.51166 5.40541
256 1OUK 084 0.001504 0.48894 5.46448
257 4XV1 904 0.00001532 0.53372 5.47945
258 1I7L ATP 0.000306 0.43702 5.50162
259 1XJD STU 0.0000002769 0.59221 5.50725
260 4LOO SB4 0.0007556 0.43044 5.54017
261 4WNP 3RJ 0.00000606 0.56178 5.57491
262 4OUC 5ID 0.0000687 0.46104 5.60224
263 2Z7R STU 0.000001231 0.54708 5.60748
264 2A19 ANP 0.00000247 0.58854 5.6338
265 3M2W L8I 0.00000156 0.51087 5.68562
266 4FG8 ATP 0.000007391 0.52464 5.71429
267 4IX4 ADP 0.00002928 0.49936 5.71429
268 5JGA 6KC 0.00001379 0.44245 5.71429
269 5DXT 5H5 0.003088 0.4174 5.71429
270 5FI4 5XV 0.004543 0.41196 5.71429
271 4CQE CQE 0.000009327 0.50996 5.7554
272 3ORQ ADP 0.000207 0.46345 5.83554
273 3X01 AMP 0.000008021 0.58599 5.85242
274 3V8S 0HD 0.0000005358 0.54593 5.85366
275 5A5W GUO 0.01123 0.41327 5.92885
276 3WO0 ALA 0.0003904 0.4764 5.95238
277 2QK4 ATP 0.0000343 0.44537 5.95238
278 5L8L ADP 0.00001695 0.54802 5.98291
279 1IA9 ANP 0.00000205 0.55466 6.07143
280 2WQN ADP 0.000007135 0.55843 6.12903
281 3NW7 LGV 0.0006566 0.47415 6.18893
282 4NW6 2NS 0.00003133 0.43253 6.19195
283 3GQI ACP 0.00002442 0.49068 6.19469
284 4G9N NGA 0.02421 0.40459 6.29371
285 4KBA 1QM 0.000002891 0.48922 6.34441
286 5W4W 9WG 0.00004379 0.43498 6.34441
287 4H3P ANP 0.00004552 0.47931 6.35359
288 5X8I SQZ 0.000002805 0.55543 6.35838
289 3RGA LSB 0.009698 0.40267 6.36042
290 3VPC ADP 0.000007238 0.51528 6.38298
291 4AU8 Z3R 0.00005451 0.52345 6.41892
292 5UKL SIX 0.00006598 0.49693 6.45161
293 3KV8 FAH 0.04017 0.40031 6.47482
294 1ZP9 ATP 0.00000008448 0.56682 6.58915
295 1ZTH ADP 0.00000003365 0.55741 6.58915
296 4JDI ANP 0.000002295 0.54612 6.6474
297 2PZI AXX 0.000006012 0.56195 6.66667
298 5DZT AMP 0.0002078 0.511 6.66667
299 4D2S DYK 0.00005824 0.51533 6.69014
300 3KRR DQX 0.00001374 0.56819 6.77966
301 2AGC DAO 0.01364 0.41132 6.79012
302 3OFM 4B0 0.0000002633 0.54002 6.85714
303 5T8O 76Z 0.000007741 0.52379 6.87679
304 2R85 AMP 0.003267 0.42717 6.88623
305 2F57 23D 0.00001453 0.48547 6.94006
306 1GSA ADP 0.000008876 0.52622 6.96203
307 2F2U M77 0.000001593 0.59777 6.96517
308 5KBE IPH 0.0244 0.4028 6.9869
309 3ZS7 ATP 0.001996 0.42558 7
310 2HK5 1BM 0.00004409 0.49185 7.03704
311 5FQK 6NT 0.009918 0.42271 7.0632
312 5LVP ATP 0.000007461 0.49188 7.07396
313 3DLS ADP 0.000003902 0.50658 7.16418
314 2GQS ADP 0.00008936 0.46451 7.173
315 2GQR ADP 0.00009062 0.46261 7.173
316 3SLS ANP 0.00003491 0.48744 7.23684
317 3DAK ANP 0.000008589 0.54737 7.24138
318 3H9R TAK 0.000132 0.42603 7.33945
319 1CM8 ANP 0.000007097 0.50157 7.35695
320 3RE4 TO1 0.00000002198 0.68788 7.36434
321 3I0O ADP 0.0000006622 0.61624 7.37463
322 4OAV ACP 0.000006632 0.5069 7.38095
323 2PVN P63 0.000006659 0.47307 7.38636
324 3PP0 03Q 0.0002601 0.42784 7.39645
325 2IF8 ADP 0.000000445 0.64488 7.43802
326 4Y0X ADP 0.0000002752 0.61635 7.46667
327 2Y6O 1N1 0.00007059 0.47483 7.56014
328 4IDT T28 0.00002981 0.51612 7.58427
329 1BHX ASP PHE GLU GLU ILE 0.01527 0.40473 7.61905
330 5IGI GMP 0.005137 0.42456 7.6412
331 5IGI ZIT 0.005437 0.42456 7.6412
332 5UOX 8GY 0.00001806 0.49905 7.74908
333 2R7K AMZ 0.0007437 0.45259 7.75623
334 2X4Z X4Z 0.00001546 0.5352 7.77027
335 1TQP ATP 0.000000005969 0.61262 7.80142
336 4XYM A12 0.0001529 0.47379 7.82609
337 3LQV ADE 0.01081 0.41732 7.82609
338 4FL3 ANP 0.00001878 0.49869 7.85714
339 5H2U 1N1 0.0005896 0.45294 7.86517
340 5DA3 58V 0.00007357 0.51714 7.92453
341 1UNQ 4IP 0.01775 0.41152 8
342 3HAV ATP 0.00005241 0.42674 8.02676
343 3IDB ANP 0.000006642 0.50906 8.07453
344 5M06 ADP 0.00001932 0.53111 8.09524
345 5W2I I3P 0.00001093 0.48894 8.17121
346 5W2I ADP 0.00001093 0.48894 8.17121
347 4BHN BH9 0.00001971 0.50663 8.38323
348 2CSN CKI 0.000003957 0.54816 8.41751
349 4WW7 AMP 0.0000002219 0.59196 8.42912
350 4DZ1 DAL 0.02885 0.40237 8.49421
351 5LPZ ADP 0.000004293 0.54728 8.73494
352 2YAB AMP 0.000001099 0.55248 8.86427
353 1DZK PRZ 0.01189 0.40223 8.9172
354 5HQ0 LZ9 0.000008367 0.52237 8.9404
355 4QTB 38Z 0.00004323 0.5068 8.94737
356 5C1P ADP 0.00003354 0.52666 9.15033
357 5C1P DAL DAL 0.0001806 0.44007 9.15033
358 5MJA 7O3 0.00006147 0.46236 9.18033
359 4ZGP ADP 0.007074 0.40888 9.21502
360 5USZ SKE 0.00002221 0.46006 9.28571
361 4I94 ANP 0.00002146 0.486 9.33333
362 2XK9 XK9 0.0001261 0.49583 9.62733
363 2VN9 GVD 0.000001501 0.49541 9.63455
364 1D8C SOR 0.03568 0.40842 9.7619
365 3C8F MT2 0.02334 0.40596 9.79592
366 5LPB ADP 0.00001877 0.54588 9.7973
367 4Y24 TD2 0.01154 0.41066 10.3896
368 3ZGJ RMN 0.006255 0.43316 10.5121
369 5LXM ADP 0.00001828 0.5257 10.5263
370 1VJY 460 0.00001257 0.44513 10.5611
371 4LRJ ANP 0.000008045 0.50392 10.6509
372 2WEL K88 0.00004382 0.42371 10.6667
373 3VPB ADP 0.000007231 0.48995 10.7143
374 3G5D 1N1 0.00000615 0.57765 10.8392
375 2BKK ADP 0.000004808 0.49756 10.9848
376 5LXT ACP 0.00003754 0.47858 11.1888
377 3SRV S19 0.000001043 0.53556 11.1913
378 4F4P 0SB 0.00005114 0.53714 11.3553
379 5HES 032 0.00002716 0.50314 11.4007
380 2WEI VGG 0.0001039 0.45519 11.4983
381 5EYK 5U5 0.0001923 0.42747 11.8644
382 1W2D ADP 0.00000587 0.57033 12.0755
383 1W2D 4IP 0.0001183 0.42615 12.0755
384 4NM5 ADP 0.0000166 0.49174 12.2016
385 3ZRM ZRM 0.000002522 0.53031 12.3989
386 5G1X ADP 0.00001484 0.52979 12.6984
387 4P5Z Q7M 0.00004608 0.40487 12.7424
388 4LO2 GAL BGC 0.003458 0.44948 12.9252
389 3F7Z 34O 0.000001201 0.54302 13.1429
390 3TM0 ANP 0.000002255 0.46873 13.308
391 3TM0 B31 0.000002481 0.46165 13.308
392 1UNH IXM 0.00001547 0.47536 13.4615
393 5VLQ ANP 0.0000005774 0.41891 13.5714
394 4OH4 ANP 0.000003449 0.55147 13.8138
395 4Q5H ANP 0.0000003415 0.59579 14.4737
396 5DBX ANP 0.00001974 0.47443 14.6341
397 5HZX 2GE 0.01667 0.40288 14.7727
398 4E93 GUI 0.00003402 0.43178 15.1194
399 4USF 6UI 0.0003018 0.46266 16.4474
400 3O0G 3O0 0.00001109 0.49709 18.7919
401 1IOW PHY 0.0002555 0.48065 18.9542
402 5T7I LAT NAG GAL 0.01961 0.41019 19.3548
403 4U0I 0LI 0.000186 0.48228 20
404 4XLI 1N1 0.000008829 0.53996 20.1493
405 3BU5 ATP 0.000005385 0.5156 26.6667
406 3E5A VX6 0.0002471 0.43441 27.2727
407 5K2M ADP 0.00003945 0.50067 30.1887
408 3KMW ATP 0.00009612 0.49318 31.7829
Pocket No.: 4; Query (leader) PDB : 2PYW; Ligand: SR1; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2pyw.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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