Receptor
PDB id Resolution Class Description Source Keywords
4NAT 1.72 Å EC: 2.7.7.3 INHIBITORS OF 4-PHOSPHOPANTHETHEINE ADENYLYLTRANSFERASE STAPHYLOCOCCUS AUREUS COAD PANTHETHEINE PHOSPHOPANTHETHEINE ADENYLYLTRANSFERASECYTOSOLIC TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF INHIBITORS OF 4'-PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (PPAT) TO VALIDATE PPAT AS A TA ANTIBACTERIAL THERAPY. ANTIMICROB.AGENTS CHEMOTHER. V. 57 6005 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
2W5 B:201;
C:201;
A:201;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
424.321 C20 H23 Cl2 N3 O3 COc1c...
EPE A:202;
B:202;
Invalid;
Invalid;
none;
none;
submit data
238.305 C8 H18 N2 O4 S C1CN(...
ADP B:203;
A:203;
C:202;
Valid;
Valid;
Valid;
none;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4NAT 1.72 Å EC: 2.7.7.3 INHIBITORS OF 4-PHOSPHOPANTHETHEINE ADENYLYLTRANSFERASE STAPHYLOCOCCUS AUREUS COAD PANTHETHEINE PHOSPHOPANTHETHEINE ADENYLYLTRANSFERASECYTOSOLIC TRANSFERASE-TRANSFERASE INHIBITOR COMPLEX
Ref.: DISCOVERY OF INHIBITORS OF 4'-PHOSPHOPANTETHEINE ADENYLYLTRANSFERASE (PPAT) TO VALIDATE PPAT AS A TA ANTIBACTERIAL THERAPY. ANTIMICROB.AGENTS CHEMOTHER. V. 57 6005 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 11 families.
1 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
2 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
3 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
4 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 7 families.
1 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
2 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
3 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
4 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3ND7 - PNY C11 H22 N2 O4 S CC(C)(CO)[....
2 3ND6 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
3 3UC5 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
4 3PNB - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
5 3NBK - PNS C11 H23 N2 O7 P S CC(C)(COP(....
6 1OD6 - PNS C11 H23 N2 O7 P S CC(C)(COP(....
7 5O0A Kd = 0.58 mM 9FH C11 H10 N2 O2 Cc1c(cnn1c....
8 5O0D - 9F5 C14 H12 O4 c1ccc(cc1)....
9 5O0F - IOP C11 H11 N O2 c1ccc2c(c1....
10 5O08 - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
11 5O0C - 9F8 C12 H13 N O2 Cc1cn(c2c1....
12 5O0B Kd = 66 uM 9FE C8 H5 Br N2 O2 c1cc2c(cc1....
13 5O0H - 9FN C14 H8 Cl N O5 c1ccc(c(c1....
14 3K9W - ADE C5 H5 N5 c1[nH]c2c(....
15 3PXU - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
16 1O6B - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
17 1H1T - PNS C11 H23 N2 O7 P S CC(C)(COP(....
18 1GN8 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
19 1B6T - COD C21 H35 N7 O13 P2 S CC(C)(CO[P....
20 1QJC - PNS C11 H23 N2 O7 P S CC(C)(COP(....
21 4NAU - 2W3 C25 H26 Cl2 N6 O4 CCc1cc(nc(....
22 4NAH - 2VJ C24 H25 Cl2 N5 O3 S CCc1cc(nc(....
23 3F3M - PPS C10 H15 N5 O13 P2 S c1nc(c2c(n....
24 4NAT - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
25 4RUK - COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
26 3X1J Ki = 8.4 uM ACO C23 H38 N7 O17 P3 S CC(=O)SCCN....
27 3X1M Ki = 6.5 uM COA C21 H36 N7 O16 P3 S CC(C)(CO[P....
28 1VLH - PNS C11 H23 N2 O7 P S CC(C)(COP(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 2W5; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 2W5 1 1
2 2VJ 0.53 0.684932
3 2W3 0.519608 0.732394
Ligand no: 2; 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
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4NAT; Ligand: 2W5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4nat.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4NAT; 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: 4nat.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4NAT; Ligand: 2W5; Similar sites found: 366
This union binding pocket(no: 3) in the query (biounit: 4nat.bio1) has 40 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1H8G CHT 0.005087 0.48846 None
2 3R51 MMA 0.003718 0.4773 None
3 3S9K CIT 0.02168 0.46088 None
4 3BY8 MLT 0.005742 0.4527 None
5 1SS4 GSH 0.01974 0.45028 None
6 3HCH RSM 0.006382 0.44929 None
7 2EB5 OXL 0.005947 0.44568 None
8 1Q6O LG6 0.0009072 0.44435 None
9 4JCA CIT 0.02214 0.44296 None
10 2VKL MLT 0.02247 0.4426 None
11 3EW2 BTN 0.003509 0.43958 None
12 1SS4 CIT 0.004719 0.4372 None
13 2QLX RM4 0.01285 0.43533 None
14 2IYG FMN 0.002799 0.43404 None
15 2BOI MFU 0.006794 0.43198 None
16 1VE3 SAM 0.001139 0.43191 None
17 4F4S EFO 0.007208 0.43083 None
18 1UO4 PIH 0.01094 0.42973 None
19 1I36 NAP 0.0005731 0.42693 None
20 3SHR CMP 0.006318 0.42385 None
21 1NXJ GLV 0.008124 0.42371 None
22 1Q3P GLU ALA GLN THR ARG LEU 0.008122 0.42371 None
23 1UO5 PIH 0.01407 0.42196 None
24 2FKA BEF 0.02919 0.42056 None
25 4K30 NLG 0.01509 0.41639 None
26 4U9W SER GLY ARG GLY LYS NH2 0.0269 0.41175 None
27 1FK5 OLA 0.008748 0.41025 None
28 2YDW WSH 0.01411 0.40906 None
29 2Y7G AAE 0.007524 0.4086 None
30 1YRX FMN 0.01094 0.40226 None
31 2YLD CMO 0.003075 0.45939 1.5748
32 3HL4 CDC 0.0002782 0.48434 1.875
33 4QGE 35O 0.0001808 0.46343 1.875
34 4AF5 CIT 0.00258 0.46303 1.875
35 1Q11 TYE 0.004431 0.44031 1.875
36 1Y9Q MED 0.01184 0.43134 1.875
37 1XE7 GUN 0.02742 0.43077 1.875
38 3PXP MYR 0.006464 0.40751 1.875
39 3GM5 CIT 0.003443 0.45703 1.88679
40 3MD0 GDP 0.006042 0.42931 1.97183
41 2W3L DRO 0.0005724 0.52065 2.08333
42 3QDY CBS 0.007835 0.44601 2.0979
43 3QDY A2G GAL 0.01334 0.44075 2.0979
44 3QDT A2G GAL 0.01761 0.43451 2.0979
45 2X3F APC 0.0002928 0.45645 2.5
46 3GCM 5GP 0.006613 0.43726 2.5
47 2VAR KDF 0.003522 0.42994 2.5
48 2VAR AMP 0.005422 0.42666 2.5
49 2VAR KDG 0.005817 0.42099 2.5
50 1FP2 HMO 0.003624 0.42096 2.5
51 3SJU NDP 0.0002029 0.41727 2.5
52 3QXG TLA 0.002637 0.41477 2.5
53 1I2L DCS 0.003582 0.40997 2.5
54 1BTN I3P 0.005075 0.49483 2.83019
55 2ZSC BTN 0.002949 0.42866 2.83688
56 2VWA PTY 0.04388 0.41287 2.9703
57 2ZWS PLM 0.00476 0.49014 3.125
58 3ZPG 5GP 0.00337 0.47958 3.125
59 1QO0 BMD 0.001585 0.47314 3.125
60 1PEA ACM 0.006144 0.45808 3.125
61 3SCH TB6 0.004821 0.45004 3.125
62 3ZUY TCH 0.001614 0.44888 3.125
63 2OWZ CIT 0.0086 0.43801 3.125
64 1E5F PLP 0.001542 0.43539 3.125
65 3E81 SLB 0.008289 0.43323 3.125
66 4M51 BEZ 0.01882 0.43302 3.125
67 2Q8H TF4 0.03128 0.43027 3.125
68 3DER ALA LYS 0.0009106 0.42751 3.125
69 3BHO B4P 0.04545 0.42531 3.125
70 1CBF SAH 0.002992 0.4242 3.125
71 1S9D AFB 0.02369 0.41564 3.125
72 1F5F DHT 0.004789 0.41246 3.125
73 3OND ADN 0.0003675 0.40454 3.125
74 3OND NAD 0.0003675 0.40454 3.125
75 2Q8M AMP 0.01485 0.40422 3.125
76 2OWZ F6P 0.007953 0.40409 3.125
77 1Y7P RIP 0.04598 0.40285 3.125
78 1WDA BAG 0.02437 0.40283 3.125
79 4C6F NCD 0.02043 0.40222 3.125
80 4C6F DOR 0.02043 0.40222 3.125
81 1A27 EST 0.01116 0.40192 3.125
82 2Y7P SAL 0.03274 0.40116 3.125
83 1HBK MYR 0.04148 0.40674 3.37079
84 3RF4 FUN 0.00787 0.42911 3.44828
85 1UY4 XYP XYP XYP XYP 0.03287 0.41582 3.44828
86 1WRA PC 0.001417 0.48278 3.75
87 1YID ATP 0.004159 0.45029 3.75
88 2YFT DQR 0.001217 0.43938 3.75
89 4IXW IXW 0.004263 0.4359 3.75
90 3U1T MLI 0.01404 0.43343 3.75
91 3C8Z 5CA 0.004394 0.42986 3.75
92 4KCT PYR 0.008047 0.42389 3.75
93 1FBL HTA 0.007218 0.4214 3.75
94 1I0Z OXM 0.04337 0.41997 3.75
95 4JP3 CIT 0.009485 0.41225 3.75
96 2A2X NA9 0.007149 0.40241 3.75
97 3G58 988 0.04536 0.40084 3.75
98 3KP6 SAL 0.001943 0.48666 3.97351
99 4G28 0W8 0.004101 0.43663 4.02685
100 3UEC ALA ARG TPO LYS 0.00297 0.46688 4.10959
101 2FR6 CTN 0.0005698 0.44301 4.10959
102 2FR6 URI 0.004729 0.40906 4.10959
103 2X0K PPV 0.0001246 0.53375 4.375
104 1F1V DHY 0.0004631 0.4778 4.375
105 2IZ1 ATR 0.008293 0.43876 4.375
106 3TFC PEP 0.006143 0.43395 4.375
107 2V0C LEU LMS 0.002246 0.43286 4.375
108 2JFV FLC 0.01521 0.42612 4.375
109 4NAO AKG 0.02992 0.41701 4.375
110 1KYQ NAD 0.002956 0.4166 4.375
111 2QF7 COA 0.006167 0.41585 4.375
112 1TIW TFB 0.0000665 0.41368 4.375
113 1TIW FAD 0.0000665 0.41368 4.375
114 4MRP GSH 0.02462 0.41341 4.375
115 4L6C 0BT 0.003179 0.40512 4.375
116 1QZZ SAM 0.0115 0.40501 4.375
117 1B4P GPS 0.006094 0.40498 4.375
118 1E1O LYS 0.001787 0.40404 4.375
119 1JH7 UVC 0.036 0.40349 4.375
120 4JWX 1N4 0.03394 0.40045 4.375
121 1ECM TSA 0.002427 0.44654 4.58716
122 1N9L FMN 0.00155 0.42696 4.58716
123 2HFK E4H 0.000819 0.47316 5
124 1SQ5 PAU 0.001246 0.46501 5
125 4N7C AEF 0.004434 0.45826 5
126 1G8S MET 0.004021 0.45382 5
127 3LTW HLZ 0.009659 0.43559 5
128 1PX8 XYP 0.007394 0.43553 5
129 2PID YSA 0.001285 0.43367 5
130 3GLC R5P 0.01018 0.43064 5
131 3O01 DXC 0.01532 0.43045 5
132 1H0C AOA 0.0164 0.43006 5
133 2XG5 EC5 0.01591 0.42687 5
134 2XDQ MGX 0.03868 0.42267 5
135 2QCX PF1 0.01459 0.42183 5
136 3E0M SER HIS MET ALA GLU ILE 0.02466 0.4186 5
137 1SQ5 ADP 0.00834 0.41455 5
138 3ZF8 GDP 0.0288 0.41121 5
139 3RK0 AMP 0.01085 0.40984 5
140 3K3G MMU 0.02503 0.40863 5
141 4J24 EST 0.02782 0.40842 5
142 1JSH SIA GAL 0.002556 0.40837 5
143 1WUU GLA 0.04642 0.4076 5
144 1A4K FRA 0.02995 0.40724 5
145 1KYZ SAH 0.006093 0.40499 5
146 1GJW GLC 0.04725 0.40479 5
147 1GJW MAL 0.0181 0.40446 5
148 1SJD NPG 0.002451 0.40264 5
149 1VCE SAH 0.02068 0.40199 5
150 2Y7I ARG 0.04351 0.40179 5
151 1FW1 GSH 0.01401 0.40156 5
152 4J26 EST 0.03791 0.40153 5
153 1K6M AGS 0.004077 0.4014 5
154 2F2U M77 0.0218 0.40102 5
155 1YYE 196 0.03465 0.40027 5
156 1OGD RIP 0.004302 0.44089 5.34351
157 2JGS BTN 0.0375 0.40053 5.38462
158 2ALG DAO 0.04579 0.41066 5.43478
159 1RZM E4P 0.0007301 0.49702 5.625
160 2BO4 FLC 0.0009618 0.4911 5.625
161 2JBH 5GP 0.001512 0.45547 5.625
162 1T10 F6P 0.002974 0.45385 5.625
163 4E28 9MZ 0.006275 0.44457 5.625
164 1O9U ADZ 0.01691 0.44208 5.625
165 4E28 0MZ 0.007348 0.43566 5.625
166 3BRE C2E 0.01104 0.4328 5.625
167 2Z9V PXM 0.007939 0.42894 5.625
168 3NFZ 3NF 0.004691 0.42483 5.625
169 2O2C G6Q 0.003441 0.42184 5.625
170 1EYE PMM 0.006471 0.41909 5.625
171 3P3N AKG 0.02739 0.41379 5.625
172 1RZM PEP 0.01787 0.41307 5.625
173 2WA4 069 0.01154 0.40874 5.625
174 2WUF KEM 0.002092 0.40807 5.625
175 3QP4 HL0 0.008084 0.40739 5.625
176 1TFZ 869 0.004254 0.40728 5.625
177 2JL1 NAP 0.004323 0.40052 5.625
178 4OYA 1VE 0.004888 0.40018 5.625
179 2OFE NAG 0.0003217 0.50621 5.6338
180 1LSS NAD 0.002591 0.41153 5.71429
181 2WOR 2AN 0.04536 0.41001 6
182 2Q37 3AL 0.0006477 0.48444 6.25
183 2HNK SAH 0.0002367 0.45249 6.25
184 1YHM AHD 0.003571 0.45017 6.25
185 1A59 CIT 0.01117 0.43835 6.25
186 4NM5 ADP 0.0009627 0.42294 6.25
187 3ZOD HQE 0.0004119 0.42104 6.25
188 3ZOD FMN 0.0004119 0.42104 6.25
189 4RJK PYR 0.03686 0.41785 6.25
190 3OCZ SRA 0.004471 0.41359 6.25
191 3QV9 QV7 0.02495 0.41096 6.25
192 3NNF AKG 0.03188 0.4106 6.25
193 3FAL REA 0.03073 0.40973 6.25
194 2JC9 ADN 0.026 0.40571 6.25
195 1CKM GTP 0.004867 0.40517 6.25
196 1NF8 BOG 0.043 0.40483 6.25
197 2PR5 FMN 0.003243 0.41512 6.81818
198 3TKA CTN 0.0002729 0.57998 6.875
199 3E5P PPI 0.004035 0.49086 6.875
200 4B16 NAG 0.008 0.4677 6.875
201 1XX4 BAM 0.006555 0.46414 6.875
202 3MAG 3MA 0.01047 0.46118 6.875
203 4WBD ADP 0.005807 0.45246 6.875
204 2C5S AMP 0.001938 0.45078 6.875
205 4WBD CIT 0.01365 0.44023 6.875
206 3I0O ADP 0.00315 0.43663 6.875
207 3CEV ARG 0.004154 0.43639 6.875
208 4LIT AKG 0.01051 0.42845 6.875
209 3OQJ 3CX 0.02814 0.4196 6.875
210 3VTF UPG 0.002058 0.41865 6.875
211 3EE4 MYR 0.001819 0.41694 6.875
212 3I0O SMI 0.02169 0.4138 6.875
213 1NJR XYL 0.0007418 0.40989 6.875
214 1KTC NGA 0.02263 0.40844 6.875
215 3HQP FDP 0.04515 0.40827 6.875
216 2FFC U5P 0.004996 0.40818 6.875
217 3AFH GSU 0.01836 0.40746 6.875
218 2RCN GDP 0.01652 0.40615 6.875
219 4MAF ADX 0.02326 0.40566 6.875
220 1Y2W NAG 0.0004713 0.49829 7.04225
221 3F8C HT1 0.03159 0.40616 7.14286
222 1LNX URI 0.01384 0.41808 7.40741
223 4OB6 S2T 0.0002236 0.46798 7.5
224 2CIX CEJ 0.01246 0.44902 7.5
225 1E4E PHY 0.001246 0.43899 7.5
226 1EYQ NAR 0.003889 0.43764 7.5
227 1MXI SAH 0.001056 0.43311 7.5
228 2YVF FAD 0.0001895 0.42238 7.5
229 1E4E ADP 0.00219 0.42142 7.5
230 2YVF NAD 0.0003628 0.41529 7.5
231 1XMY ROL 0.0336 0.4114 7.5
232 1YC4 43P 0.03094 0.40605 7.5
233 4F8L GAL 0.02459 0.4484 7.58621
234 2E1A MSE 0.01062 0.41863 8
235 2WGC SIA GAL BGC 0.001392 0.52124 8.125
236 1WGC SIA GAL BGC 0.01433 0.45355 8.125
237 4COQ SAN 0.004703 0.45056 8.125
238 4W6Z ETF 0.01314 0.44797 8.125
239 1V7R CIT 0.02022 0.44517 8.125
240 1SC3 MLI 0.01197 0.44317 8.125
241 4DYO SD4 0.004986 0.43294 8.125
242 3D3H M4O 0.001926 0.43164 8.125
243 1T0I FMN 0.001291 0.42989 8.125
244 2X1L ADN 0.01183 0.42353 8.125
245 3L6R MLI 0.02375 0.42204 8.125
246 2QHV OC9 0.02326 0.41996 8.125
247 2QHS OCA 0.0242 0.41515 8.125
248 3IWK NAD 0.01718 0.40577 8.125
249 4EXO PYR 0.0232 0.42831 8.21918
250 1Y75 NAG 0.0004109 0.48005 8.47458
251 4O8A 2OP 0.002609 0.48551 8.75
252 1NUS NMN 0.00004835 0.43038 8.75
253 1NUS APC 0.0001373 0.4296 8.75
254 1QDS PGA 0.00505 0.42796 8.75
255 1ZZ7 S0H 0.01013 0.42418 8.75
256 1V6A TRE 0.01506 0.42118 8.75
257 2FOI JPA 0.008655 0.41806 8.75
258 3V91 UPG 0.00163 0.41508 8.75
259 4NAE 1GP 0.04583 0.4049 8.75
260 3BPX SAL 0.03759 0.41456 8.78378
261 3KO0 TFP 0.0268 0.42359 8.91089
262 4JMU 1ML 0.01475 0.43494 8.92857
263 1UOU CMU 0.0009601 0.44811 9.375
264 2Q09 DI6 0.004709 0.43402 9.375
265 1ZS6 ADP 0.01123 0.41757 9.375
266 3GTD MLI 0.01921 0.41626 9.375
267 2ZYF AKG 0.01486 0.41226 9.375
268 3PMD 11A 0.01071 0.43357 9.80392
269 2H29 DND 0.00006769 0.46778 10
270 2DWU DGL 0.001251 0.45906 10
271 9LDT OXM 0.02007 0.44535 10
272 2ZJ5 ADP 0.00936 0.43078 10
273 2JAR UMP 0.002236 0.42109 10
274 4IHQ ADP 0.01456 0.41264 10
275 4MG9 27K 0.03837 0.41217 10
276 3PN1 IVH 0.04949 0.40605 10
277 1C1L GAL BGC 0.005819 0.45242 10.219
278 1NU4 MLA 0.003943 0.48482 10.3093
279 1UCN ADP 0.009994 0.40745 10.5263
280 2BZ1 TAU 0.006389 0.48268 10.625
281 3SQG COM 0.00655 0.47254 10.625
282 1ZJ6 G3D 0.001744 0.44247 10.625
283 4LN7 1ZQ 0.001718 0.42934 10.625
284 1W7J ADP BEF 0.003352 0.41834 10.625
285 1VL8 NAP 0.0001246 0.41703 10.625
286 2R5T ANP 0.002435 0.41248 10.625
287 2RHQ GAX 0.002467 0.4089 10.625
288 3KMT SAH 0.007828 0.4117 10.9244
289 1QH9 LAC 0.005621 0.44685 11.25
290 3F81 STT 0.0288 0.42962 11.25
291 2VQ5 HBA 0.01948 0.42634 11.25
292 2P3V SRT 0.03865 0.41328 11.25
293 1SNY NAP 0.0007312 0.41322 11.25
294 4KGM ATP 0.009345 0.41252 11.25
295 4Q0A 4OA 0.006006 0.40522 11.25
296 1ULE GLA GAL NAG 0.02695 0.42494 11.3333
297 3KJQ B94 0.01644 0.4024 11.5789
298 1Y1A GSH 0.01252 0.47053 11.875
299 3O2K QRP 0.005257 0.42722 11.875
300 4M5P 23W 0.01467 0.43862 12.5
301 4M5P MLA 0.02865 0.43665 12.5
302 1GPJ CIT 0.01201 0.43104 12.5
303 4M5P FMN 0.0009254 0.42726 12.5
304 2Z1U ATP 0.003181 0.42316 12.5
305 3O55 FAD 0.002173 0.40131 12.8
306 2VDJ HSE 0.01142 0.44423 13.125
307 3ZIU LSS 0.002035 0.43471 13.125
308 3KMZ EQO 0.0003099 0.42491 13.125
309 4JEJ 1GP 0.006109 0.42011 13.125
310 2YP9 SIA CMO 0.00431 0.41609 13.125
311 1PFY MSP 0.006863 0.40921 13.125
312 1JN2 SFP 0.0008182 0.55229 13.75
313 1K4M NAD 0.00001293 0.5151 13.75
314 4HZO COA 0.008179 0.42836 13.75
315 1K4M CIT 0.01974 0.42525 13.75
316 3BFF FPM 0.02421 0.41446 13.75
317 3JQ3 ADP 0.01188 0.41223 13.75
318 3P7I P7I 0.009721 0.42499 14.375
319 1R6W 164 0.005002 0.41551 14.375
320 3O7B SAH 0.003243 0.41512 14.375
321 3KFL ME8 0.004688 0.41342 14.375
322 3VV5 SLZ 0.0346 0.40703 14.375
323 2Q2V NAD 0.0003201 0.40572 14.375
324 3PC3 P1T 0.004157 0.4043 14.375
325 2V5E SCR 0.004577 0.48122 14.8515
326 1Z44 NPO 0.01115 0.46855 15
327 1Z44 FMN 0.002648 0.43052 15
328 1Z41 FMN 0.002982 0.42425 15
329 1Z48 FMN 0.003251 0.4228 15
330 4PNI KQQ 0.001035 0.41492 15
331 2B7N NTM 0.03445 0.40439 15
332 4CCO OGA 0.03433 0.40022 15
333 3CR4 PNT 0.0108 0.41399 15.2174
334 1XIU REA 0.0003535 0.45534 15.625
335 4LHM AZZ 0.02356 0.41212 15.625
336 4HPP GLU 0.04138 0.40963 15.625
337 4J7H TLO 0.003615 0.40644 15.625
338 4J7H TRH 0.006688 0.40018 15.625
339 2ZJF BSU 0.0007346 0.46331 16.25
340 4G4S LDZ 0.000938 0.43929 16.25
341 3W68 PBU 0.01695 0.43341 16.25
342 1YOA FMN 0.001047 0.52843 16.3522
343 3A2Y TS5 0.0031 0.41963 16.875
344 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 0.002416 0.40921 17.3469
345 2QTR NXX 0.000006249 0.49904 17.5
346 2YIV YIV 0.006728 0.45606 17.5
347 3L0E G58 0.0005697 0.41662 17.5
348 3V1V GST 0.008097 0.4038 17.5
349 2QQC AG2 0.03861 0.41339 17.8571
350 1N13 AG2 0.04644 0.40871 18.5841
351 2QQD AG2 0.01614 0.43281 18.75
352 1S8F GDP 0.01244 0.40363 18.75
353 1YUM NCN 0.000005079 0.42618 19.375
354 5CQG 55C 0.04832 0.42769 20
355 3L24 GOA 0.04022 0.42175 20
356 4JLV ADP 0.01596 0.45504 21.25
357 2PP3 LGT 0.01461 0.40083 21.25
358 1UW1 ADP 0.00205 0.46132 22.5
359 1KQN NAD 0.0001045 0.46069 22.5
360 1LYX PGA 0.003119 0.42769 22.5
361 1T0S BML 0.02382 0.41399 23.2558
362 1N1D C2G 0.0006435 0.45264 25.5814
363 1H16 DTL 0.01861 0.43984 25.625
364 1JIL 485 0.01171 0.41045 26.25
365 1F9A ATP 0.00004976 0.5183 26.875
366 4LO6 SIA GAL 0.0258 0.42301 26.875
Pocket No.: 4; Query (leader) PDB : 4NAT; Ligand: ADP; Similar sites found: 356
This union binding pocket(no: 4) in the query (biounit: 4nat.bio1) has 78 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2VKL MLT 0.007088 0.49841 None
2 1SS4 GSH 0.0155 0.49336 None
3 1H8G CHT 0.01447 0.48846 None
4 4F4S EFO 0.002257 0.4832 None
5 3R51 MMA 0.01088 0.47939 None
6 1YRX FMN 0.002822 0.45879 None
7 2IYG FMN 0.004788 0.45292 None
8 3HCH RSM 0.01717 0.44929 None
9 1Q6O LG6 0.00488 0.44435 None
10 2EB5 OXL 0.02335 0.44283 None
11 1I36 NAP 0.001738 0.44097 None
12 4NC7 I3C 0.03369 0.43947 None
13 3BY8 MLT 0.03474 0.43875 None
14 1NXJ TLA 0.04723 0.43287 None
15 2BOI MFU 0.02551 0.43162 None
16 1UO4 PIH 0.0266 0.42992 None
17 2P8O BVA 0.01093 0.42586 None
18 3EW2 BTN 0.02824 0.42538 None
19 1UO5 PIH 0.03277 0.42196 None
20 3SFI 3SF 0.0004726 0.41605 None
21 1LQY BB2 0.03997 0.41601 None
22 2YDW WSH 0.04605 0.41159 None
23 1Q3P GLU ALA GLN THR ARG LEU 0.029 0.41097 None
24 3SJ7 NDP 0.006046 0.40752 None
25 1FK5 OLA 0.03803 0.40688 None
26 2ORV 4TA 0.01552 0.40267 None
27 4V3I ASP LEU THR ARG PRO 0.041 0.43754 1.16732
28 2YLD CMO 0.01124 0.45939 1.5748
29 4QGE 35O 0.0003933 0.49077 1.875
30 3HL4 CDC 0.001318 0.48434 1.875
31 1XE7 GUN 0.01784 0.46699 1.875
32 4AF5 CIT 0.01565 0.45192 1.875
33 2Y6P CTP 0.007247 0.44906 1.875
34 1Q11 TYE 0.01699 0.44031 1.875
35 1Y9Q MED 0.04623 0.42723 1.875
36 2NVK NAP 0.03741 0.42338 1.875
37 3CH5 GDP 0.02273 0.42231 1.875
38 3IAE D7K 0.003734 0.40975 1.875
39 1W3R 2MN 0.03823 0.40878 1.875
40 3PXP MYR 0.03672 0.4036 1.875
41 1FCZ 156 0.04132 0.40285 1.875
42 3GM5 CIT 0.01107 0.45974 1.88679
43 2W3L DRO 0.002841 0.5129 2.08333
44 3QDY A2G GAL 0.03663 0.44289 2.0979
45 3QDY CBS 0.03723 0.43711 2.0979
46 2HW2 RFP 0.03949 0.40608 2.0979
47 2X3F APC 0.001785 0.45513 2.5
48 3GCM 5GP 0.01614 0.43726 2.5
49 2VAR KDF 0.01123 0.4362 2.5
50 1FP2 SAH 0.009637 0.43532 2.5
51 1FP2 HMO 0.01289 0.4262 2.5
52 2BES RES 0.02058 0.42427 2.5
53 3QXG TLA 0.01215 0.41764 2.5
54 3DG6 MUC 0.0243 0.41755 2.5
55 3SJU NDP 0.002353 0.41633 2.5
56 2VAR AMP 0.04388 0.41258 2.5
57 1V9N NDP 0.002672 0.4121 2.5
58 1I2L DCS 0.01893 0.40987 2.5
59 2VAR ANP 0.01691 0.40904 2.5
60 2VAR KDG 0.04515 0.40867 2.5
61 3D2Y AH0 ALA FGA LYS 0.02542 0.40747 2.5
62 2Q28 ADP 0.02241 0.40691 2.5
63 4IEH 1E9 0.03745 0.40489 2.5
64 1NOX FMN 0.02867 0.40257 2.5
65 1GEE NAD 0.007037 0.40071 2.5
66 1BTN I3P 0.00675 0.50915 2.83019
67 2VWA PTY 0.003998 0.50215 2.9703
68 2Q8H TF4 0.0002839 0.57023 3.125
69 3ZPG 5GP 0.00142 0.53017 3.125
70 3BHO B4P 0.003574 0.51616 3.125
71 2ZWS PLM 0.02097 0.47836 3.125
72 4M51 BEZ 0.009909 0.47459 3.125
73 1QO0 BMD 0.006113 0.47314 3.125
74 2OWZ CIT 0.01144 0.459 3.125
75 2JHP GUN 0.02811 0.45797 3.125
76 3ZUY TCH 0.006761 0.45046 3.125
77 1C7S CBS 0.006142 0.44804 3.125
78 1PEA ACM 0.03947 0.44106 3.125
79 2JFN UMA 0.02185 0.43958 3.125
80 2Y7P SAL 0.02324 0.43361 3.125
81 3E81 SLB 0.02897 0.43323 3.125
82 2Q8M FBP 0.01187 0.42775 3.125
83 1CTU ZEB 0.01082 0.42605 3.125
84 1F5F DHT 0.01394 0.42141 3.125
85 1QS8 IVA VAL VAL STA ALA STA 0.0122 0.42063 3.125
86 1Z4V DAN 0.03517 0.41365 3.125
87 2OWZ F6P 0.02585 0.41008 3.125
88 1E5F PLP 0.03198 0.40911 3.125
89 2Q8M AMP 0.04615 0.40823 3.125
90 3DER ALA LYS 0.02237 0.40424 3.125
91 1A27 EST 0.04281 0.40359 3.125
92 3RF4 FUN 0.02125 0.43553 3.44828
93 1YID ATP 0.01403 0.45015 3.75
94 1FBL HTA 0.009742 0.4431 3.75
95 2YFT DQR 0.006235 0.43978 3.75
96 4IXW IXW 0.01443 0.43935 3.75
97 4JP3 CIT 0.01087 0.43685 3.75
98 1WRA PC 0.04265 0.43389 3.75
99 3C8Z 5CA 0.01656 0.42986 3.75
100 2OKL BB2 0.04799 0.41185 3.75
101 2FEQ 34P 0.02424 0.41126 3.75
102 1L8N GCW 0.01775 0.40298 3.75
103 4C12 UML 0.007045 0.40294 3.75
104 2BII MTV 0.01784 0.40289 3.75
105 3KP6 SAL 0.005646 0.48666 3.97351
106 4G28 0W8 0.02432 0.42849 4.02685
107 3UEC ALA ARG TPO LYS 0.02827 0.4436 4.10959
108 3GF2 SAL 0.04764 0.43645 4.10959
109 2FR6 URI 0.02298 0.40929 4.10959
110 1MQ0 BRD 0.01449 0.4275 4.28571
111 2X0K PPV 0.0004138 0.53375 4.375
112 4NAO AKG 0.006111 0.47939 4.375
113 2IZ1 ATR 0.009162 0.46401 4.375
114 3TFC PEP 0.006443 0.46095 4.375
115 1A5Z OXM 0.0388 0.44148 4.375
116 2QF7 COA 0.007336 0.44054 4.375
117 1JH7 UVC 0.02249 0.43882 4.375
118 1XVB 3BR 0.02637 0.43869 4.375
119 4WVH ASP HIS ASP ALA HIS ALA 0.01806 0.43469 4.375
120 2V0C LEU LMS 0.009636 0.43286 4.375
121 1F1V DHY 0.02331 0.42938 4.375
122 2JFV FLC 0.04387 0.42843 4.375
123 3DNT ATP 0.007407 0.4173 4.375
124 1KYQ NAD 0.01646 0.41528 4.375
125 1EB9 HBA 0.03532 0.41357 4.375
126 3DGB MUC 0.03692 0.41269 4.375
127 3BK2 U5P 0.04032 0.41093 4.375
128 2O4J VD4 0.009716 0.40517 4.375
129 2Q9U FMN 0.03416 0.40214 4.375
130 1B4P GPS 0.03628 0.40105 4.375
131 1N9L FMN 0.001668 0.45607 4.58716
132 1ECM TSA 0.0219 0.43067 4.58716
133 3O01 DXC 0.0004059 0.55147 5
134 2XDQ MGX 0.004349 0.50228 5
135 1GJW GLC 0.00455 0.48625 5
136 3ZF8 GDP 0.001712 0.47804 5
137 1SQ5 PAU 0.003828 0.472 5
138 1G8S MET 0.01056 0.4608 5
139 4N7C AEF 0.01512 0.45826 5
140 1EJE FMN 0.001581 0.45703 5
141 2HFK E4H 0.008749 0.45445 5
142 2XG5 EC5 0.02271 0.4459 5
143 1KYZ SAH 0.004738 0.4375 5
144 2PID YSA 0.006231 0.43367 5
145 3RK0 AMP 0.01334 0.43281 5
146 3GLC R5P 0.03174 0.43064 5
147 3LTW HLZ 0.04322 0.42877 5
148 2F2U M77 0.02152 0.4271 5
149 1FW1 GSH 0.01507 0.42675 5
150 3G5K BB2 0.038 0.42005 5
151 3I51 45C 0.02644 0.41932 5
152 4C2G ALA ALA ALA ALA 0.04315 0.41649 5
153 1KYZ FER 0.005009 0.41279 5
154 4OHB 5HM 0.03309 0.40847 5
155 4LKK SIA GAL 0.02755 0.40602 5
156 1K6M AGS 0.02219 0.40178 5
157 1OGD RIP 0.03207 0.42671 5.34351
158 1O9U ADZ 0.006455 0.49243 5.625
159 2BO4 FLC 0.003693 0.4911 5.625
160 1T10 F6P 0.002079 0.49094 5.625
161 1RZM E4P 0.01253 0.46266 5.625
162 4E28 9MZ 0.01304 0.45604 5.625
163 2JBH 5GP 0.00662 0.45547 5.625
164 1EYE PMM 0.006682 0.44639 5.625
165 3FKQ ATP 0.01957 0.43214 5.625
166 2O2C G6Q 0.01083 0.42946 5.625
167 2C2A ADP 0.009673 0.42809 5.625
168 2Z9V PXM 0.04425 0.41975 5.625
169 2CDP GAL AAL GAL AAL GAL AAL 0.03662 0.41917 5.625
170 3NFZ 3NF 0.03727 0.4125 5.625
171 2WUF KEM 0.01302 0.40807 5.625
172 4E13 NAD 0.01793 0.40804 5.625
173 1NYT NAP 0.01308 0.40295 5.625
174 3HF3 FMN 0.02155 0.40228 5.625
175 4KCF AKM 0.04473 0.4012 5.625
176 2OFE NAG 0.001339 0.50731 5.6338
177 1LSS NAD 0.01263 0.41404 5.71429
178 4RJK PYR 0.006929 0.48321 6.25
179 1TV5 N8E 0.01232 0.47374 6.25
180 2Q37 3AL 0.005942 0.46801 6.25
181 1NF8 BOG 0.01241 0.46265 6.25
182 2HNK SAH 0.001455 0.4546 6.25
183 2JC9 ADN 0.01577 0.44191 6.25
184 1A59 COA 0.005756 0.43403 6.25
185 1CKM GTP 0.005546 0.43132 6.25
186 3P9C SAH 0.001029 0.42543 6.25
187 3ZOD HQE 0.004686 0.4164 6.25
188 3ZOD FMN 0.004686 0.4164 6.25
189 1M48 FRG 0.04308 0.434 6.76692
190 2PR5 FMN 0.03208 0.40328 6.81818
191 3TKA CTN 0.000837 0.57998 6.875
192 3MAG 3MA 0.00498 0.50756 6.875
193 3I0O SMI 0.008422 0.46038 6.875
194 4UAL 3FV 0.003203 0.44824 6.875
195 4WBD CIT 0.03134 0.4467 6.875
196 2C5S AMP 0.01084 0.44527 6.875
197 1XX4 BAM 0.01516 0.44507 6.875
198 3CEV ARG 0.01118 0.44463 6.875
199 3I0O ADP 0.01343 0.43663 6.875
200 2RCN GDP 0.01574 0.43342 6.875
201 3VTF UPG 0.005071 0.43287 6.875
202 4LIT AKG 0.03375 0.42985 6.875
203 1NJR XYL 0.001645 0.42958 6.875
204 2FFC U5P 0.008245 0.42763 6.875
205 4DR9 BB2 0.04131 0.41811 6.875
206 1KTC NGA 0.04972 0.41722 6.875
207 3UST FAD 0.02593 0.41307 6.875
208 1NNS ASP 0.04425 0.41241 6.875
209 4PTZ FMN 0.02564 0.41022 6.875
210 2RL1 UD1 0.01336 0.40263 6.875
211 2IMF TOM 0.01635 0.40184 6.875
212 2IMF GSH 0.01635 0.40184 6.875
213 4JHG ZEA 0.04765 0.40155 6.875
214 1Y2W NAG 0.04385 0.42844 7.04225
215 2GNK ATP 0.01 0.42418 7.14286
216 3F8C HT1 0.04986 0.42116 7.14286
217 1LNX URI 0.01732 0.4399 7.40741
218 2Q1A 2KT 0.004112 0.48207 7.5
219 4OB6 S2T 0.001372 0.46798 7.5
220 2CIX CEJ 0.02689 0.4501 7.5
221 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 0.03076 0.43867 7.5
222 1MXI SAH 0.005475 0.43493 7.5
223 1EYQ NAR 0.01969 0.43289 7.5
224 1E4E ADP 0.01465 0.41736 7.5
225 1TUV VK3 0.03899 0.44727 7.89474
226 2WGC SIA GAL BGC 0.004805 0.51835 8.125
227 1WGC SIA GAL BGC 0.01175 0.48526 8.125
228 3TDC 0EU 0.01652 0.47892 8.125
229 4W6Z ETF 0.0179 0.46691 8.125
230 4COQ SAN 0.0189 0.44764 8.125
231 1SC3 MLI 0.03602 0.4433 8.125
232 1S2D ADE 0.007123 0.4411 8.125
233 1T0I FMN 0.005893 0.43361 8.125
234 4DYO SD4 0.01964 0.43294 8.125
235 3D3H M4O 0.01658 0.42148 8.125
236 1VF1 GSH 0.03053 0.40417 8.125
237 1XVA SAM 0.03047 0.4015 8.125
238 4EXO PYR 0.02065 0.45684 8.21918
239 1Y75 NAG 0.002011 0.48005 8.47458
240 1V6A TRE 0.01756 0.44427 8.75
241 1ZZ7 S0H 0.02015 0.43667 8.75
242 1UF5 CDT 0.01554 0.43368 8.75
243 1QDS PGA 0.01679 0.43212 8.75
244 4O8A FAD 0.0008112 0.43149 8.75
245 1NUS NMN 0.0009289 0.42913 8.75
246 2WMO GTP 0.01358 0.42874 8.75
247 1NUS APC 0.001662 0.42784 8.75
248 2FOI JPA 0.03356 0.41806 8.75
249 4P4T GDP 0.01515 0.41676 8.75
250 3SE5 ANP 0.04931 0.414 8.75
251 3V91 UPG 0.01989 0.40362 8.75
252 1OYB FMN 0.01868 0.40213 8.75
253 1P1M MET 0.02246 0.40158 8.75
254 3KO0 TFP 0.0213 0.45146 8.91089
255 4JMU 1ML 0.03386 0.44021 8.92857
256 1UOU CMU 0.003674 0.45375 9.375
257 1Y42 TYR 0.02807 0.42956 9.375
258 2Q09 DI6 0.02452 0.42832 9.375
259 3IPQ 965 0.004226 0.41036 9.375
260 3TN7 NJP 0.007277 0.40023 9.375
261 3PMD 11A 0.0325 0.43357 9.80392
262 2ZJ5 ADP 0.005254 0.4707 10
263 2H29 DND 0.0004314 0.47017 10
264 2DWU DGL 0.005627 0.45883 10
265 2BHW NEX 0.02367 0.45808 10
266 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.04669 0.42707 10
267 2QA8 GEN 0.04285 0.42025 10
268 4IHQ ADP 0.0419 0.41711 10
269 1G27 BB1 0.04622 0.4127 10
270 1C1L GAL BGC 0.04357 0.43338 10.219
271 1NU4 MLA 0.01195 0.48482 10.3093
272 1UCN ADP 0.03138 0.41261 10.5263
273 1ZJ6 G3D 0.007551 0.44399 10.625
274 1VL8 NAP 0.000921 0.42436 10.625
275 2RHQ GAX 0.01079 0.41388 10.625
276 2R5T ANP 0.01314 0.41336 10.625
277 1W7J ADP BEF 0.03112 0.40666 10.625
278 3KMT SAH 0.03115 0.41275 10.9244
279 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 0.0222 0.45347 11.25
280 3F81 STT 0.02588 0.45136 11.25
281 4KGM ATP 0.006769 0.44613 11.25
282 1QH9 LAC 0.02124 0.44498 11.25
283 1SNY NAP 0.001836 0.4308 11.25
284 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 0.02636 0.40682 11.25
285 1ULE GLA GAL NAG 0.01567 0.46352 11.3333
286 3KJQ B94 0.04988 0.40668 11.5789
287 3EHU MAL 0.005286 0.48276 11.875
288 1Y1A GSH 0.04036 0.46086 11.875
289 3O2K QRP 0.005911 0.45316 11.875
290 1MZV AMP 0.03842 0.4153 11.875
291 4M5P MLA 0.00468 0.50917 12.5
292 4M5P 23W 0.04361 0.43862 12.5
293 4M5P FMN 0.004491 0.43169 12.5
294 3O55 FAD 0.005553 0.41643 12.8
295 2VDJ HSE 0.02703 0.4503 13.125
296 2YP9 SIA CMO 0.006756 0.43644 13.125
297 3ZIU LSS 0.008805 0.43471 13.125
298 3KMR EQN 0.01791 0.43108 13.125
299 3KMZ EQO 0.002504 0.42603 13.125
300 4H2F ADN 0.0262 0.40692 13.125
301 4JEJ 1GP 0.04936 0.40689 13.125
302 1JN2 SFP 0.003569 0.52053 13.75
303 1K4M NAD 0.00009471 0.5151 13.75
304 1K4M CIT 0.003146 0.4959 13.75
305 3JQ3 ADP 0.01366 0.43629 13.75
306 2FYU FDN 0.009027 0.42601 13.75
307 3P7I P7I 0.02573 0.43143 14.375
308 2Q2V NAD 0.001356 0.41905 14.375
309 3PC3 P1T 0.01257 0.41412 14.375
310 3KFL ME8 0.0197 0.41342 14.375
311 3HAZ FAD 0.003758 0.40966 14.375
312 2CFU 1DB 0.02056 0.40569 14.375
313 1R6W 164 0.04064 0.40457 14.375
314 2V5E SCR 0.003016 0.52057 14.8515
315 1Z41 FMN 0.003711 0.44945 15
316 1Z44 FMN 0.01238 0.43052 15
317 1Z48 FMN 0.01546 0.4228 15
318 3ULK NDP 0.008998 0.41692 15
319 4PNI KQQ 0.01298 0.40554 15
320 2O66 FLC 0.04354 0.42419 15.5556
321 1XIU REA 0.001631 0.46052 15.625
322 4LHM AZZ 0.01297 0.45093 15.625
323 1R6N 434 0.0439 0.4372 15.625
324 4J7H TRH 0.02291 0.40652 15.625
325 4J7H TLO 0.02651 0.40131 15.625
326 3W68 PBU 0.04546 0.43288 16.25
327 2ZJF BSU 0.0345 0.4175 16.25
328 1YOA FMN 0.003309 0.52843 16.3522
329 1YOA FAD 0.015 0.40836 16.3522
330 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.01325 0.46459 16.875
331 3A2Y TS5 0.01537 0.41963 16.875
332 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 0.006585 0.42213 17.3469
333 2YIV YIV 0.0008446 0.53378 17.5
334 2QTR NXX 0.00005609 0.50046 17.5
335 1WNG SAH 0.005338 0.43198 17.5
336 3L0E G58 0.002334 0.42711 17.5
337 1MOQ GLP 0.0339 0.40228 17.5
338 1NHZ 486 0.01127 0.41315 18.125
339 2QQD AG2 0.04512 0.43281 18.75
340 1S8F GDP 0.03855 0.40862 18.75
341 3L24 GOA 0.01293 0.47507 20
342 2PP3 LGT 0.04114 0.40735 21.25
343 1QD0 RR6 0.03967 0.41126 21.875
344 3T1A 5MA 0.03156 0.40358 21.875
345 1KQN NAD 0.000227 0.48176 22.5
346 1UW1 ADP 0.006323 0.46665 22.5
347 1LYX PGA 0.01435 0.42769 22.5
348 1T0S BML 0.01537 0.464 23.2558
349 1O0S NAI 0.01805 0.4027 25
350 1N1D C2G 0.001013 0.47546 25.5814
351 1H16 DTL 0.02681 0.45674 25.625
352 1H16 COA 0.01951 0.40935 25.625
353 1JIL 485 0.03032 0.41672 26.25
354 1F9A ATP 0.00005441 0.55276 26.875
355 1GEG GLC 0.01076 0.48885 35
356 3CF6 SP1 0.009813 0.43131 35.625
Pocket No.: 5; Query (leader) PDB : 4NAT; Ligand: ADP; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 4nat.bio1) has 38 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4NAT; Ligand: 2W5; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 4nat.bio1) has 37 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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