Receptor
PDB id Resolution Class Description Source Keywords
1BG0 1.86 Å EC: 2.7.3.3 TRANSITION STATE STRUCTURE OF ARGININE KINASE LIMULUS POLYPHEMUS ARGININE KINASE CREATINE KINASE PHOSPHAGEN KINASE TRANSITION STATE ANALOG ADENOSINE TRIPHOSPHATE TRANSFERAS
Ref.: TRANSITION STATE STRUCTURE OF ARGININE KINASE: IMPLICATIONS FOR CATALYSIS OF BIMOLECULAR REACTIONS. PROC.NATL.ACAD.SCI.USA V. 95 8449 1998
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:400;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
DAR A:403;
Valid;
none;
submit data
175.209 C6 H15 N4 O2 C(CC(...
MG A:402;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
NO3 A:401;
A:500;
Invalid;
Invalid;
none;
none;
submit data
62.005 N O3 [N+](...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1M15 1.2 Å EC: 2.7.3.3 TRANSITION STATE STRUCTURE OF ARGININE KINASE LIMULUS POLYPHEMUS ARGININE KINASE CREATINE KINASE PHOSPHAGEN KINASE TRANSITION STATE ANALOG ADENOSINE TRIPHOSPHATE TRANSFERAS
Ref.: REFINEMENT OF THE ARGININE KINASE TRANSITION-STATE ANALOGUE COMPLEX AT 1.2 A RESOLUTION: MECHANISTIC INSIGHTS. ACTA CRYSTALLOGR.,SECT.D V. 58 2009 2002
Members (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 1RL9 - IOM C4 H11 N3 O2 CN(CC(=O)O....
2 4GW2 - ORN C5 H12 N2 O2 C(CC(C(=O)....
3 1SD0 - ARG C6 H15 N4 O2 C(CC(C(=O)....
4 1BG0 - DAR C6 H15 N4 O2 C(CC(C(=O)....
5 1M15 - ARG C6 H15 N4 O2 C(CC(C(=O)....
6 4GW0 - ILO C7 H15 N3 O2 CC(=N)NCCC....
7 1P52 - DAR C6 H15 N4 O2 C(CC(C(=O)....
8 4GVY - CIR C6 H13 N3 O3 C(CC(C(=O)....
70% Homology Family (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1RL9 - IOM C4 H11 N3 O2 CN(CC(=O)O....
2 4GW2 - ORN C5 H12 N2 O2 C(CC(C(=O)....
3 1SD0 - ARG C6 H15 N4 O2 C(CC(C(=O)....
4 1BG0 - DAR C6 H15 N4 O2 C(CC(C(=O)....
5 1M15 - ARG C6 H15 N4 O2 C(CC(C(=O)....
6 4GW0 - ILO C7 H15 N3 O2 CC(=N)NCCC....
7 1P52 - DAR C6 H15 N4 O2 C(CC(C(=O)....
8 4GVY - CIR C6 H13 N3 O3 C(CC(C(=O)....
9 4BHL - ARG C6 H15 N4 O2 C(CC(C(=O)....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1RL9 - IOM C4 H11 N3 O2 CN(CC(=O)O....
2 4GW2 - ORN C5 H12 N2 O2 C(CC(C(=O)....
3 1SD0 - ARG C6 H15 N4 O2 C(CC(C(=O)....
4 1BG0 - DAR C6 H15 N4 O2 C(CC(C(=O)....
5 1M15 - ARG C6 H15 N4 O2 C(CC(C(=O)....
6 4GW0 - ILO C7 H15 N3 O2 CC(=N)NCCC....
7 1P52 - DAR C6 H15 N4 O2 C(CC(C(=O)....
8 4GVY - CIR C6 H13 N3 O3 C(CC(C(=O)....
9 3B6R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
10 3DRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
11 4BHL - ARG C6 H15 N4 O2 C(CC(C(=O)....
12 3JQ3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
13 1U6R - IOM C4 H11 N3 O2 CN(CC(=O)O....
14 1VRP - IOM C4 H11 N3 O2 CN(CC(=O)O....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 382
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 5FA 0.887324 1
5 AQP 0.887324 1
6 B4P 0.884058 0.971831
7 AP5 0.884058 0.971831
8 BA3 0.869565 0.971831
9 M33 0.833333 0.958333
10 ACQ 0.826667 0.972222
11 A 0.823529 0.971429
12 AMP 0.823529 0.971429
13 ACP 0.821918 0.972222
14 AR6 0.810811 0.971831
15 APR 0.810811 0.971831
16 ANP 0.802632 0.972222
17 AD9 0.8 0.972222
18 AGS 0.8 0.945946
19 SAP 0.8 0.945946
20 ADX 0.783784 0.873418
21 CA0 0.783784 0.945205
22 TAT 0.779221 0.958904
23 AMP MG 0.774648 0.891892
24 50T 0.773333 0.958333
25 ABM 0.763889 0.917808
26 PRX 0.763158 0.893333
27 APC 0.763158 0.958904
28 ATF 0.759494 0.958904
29 A22 0.753086 0.985915
30 AP2 0.743243 0.958904
31 A12 0.743243 0.958904
32 ADP MG 0.736842 0.905405
33 SRA 0.736111 0.918919
34 ADQ 0.73494 0.945205
35 25L 0.732558 0.985915
36 ADP BEF 0.727273 0.881579
37 BEF ADP 0.727273 0.881579
38 5AL 0.725 0.931507
39 2A5 0.717949 0.918919
40 A1R 0.714286 0.907895
41 AU1 0.714286 0.972222
42 ADP PO3 0.708861 0.943662
43 PAP 0.708861 0.985714
44 ATR 0.708861 0.971429
45 SRP 0.707317 0.906667
46 25A 0.702381 0.971831
47 ATP MG 0.7 0.905405
48 OAD 0.697674 0.945205
49 ADV 0.6875 0.932432
50 RBY 0.6875 0.932432
51 00A 0.686047 0.883117
52 BIS 0.681818 0.933333
53 3OD 0.681818 0.945205
54 ADP ALF 0.674699 0.87013
55 ALF ADP 0.674699 0.87013
56 AMO 0.674419 0.932432
57 4AD 0.674419 0.92
58 PAJ 0.674419 0.884615
59 GAP 0.670732 0.893333
60 MAP 0.670588 0.945946
61 ADP VO4 0.666667 0.931507
62 DLL 0.666667 0.931507
63 AHX 0.666667 0.896104
64 ANP MG 0.666667 0.894737
65 PTJ 0.662921 0.896104
66 SON 0.658228 0.932432
67 PR8 0.651685 0.85
68 LAD 0.651685 0.860759
69 ITT 0.65 0.943662
70 G5P 0.648936 0.921053
71 XYA 0.647059 0.84507
72 RAB 0.647059 0.84507
73 ADN 0.647059 0.84507
74 NB8 0.644444 0.896104
75 ME8 0.644444 0.839506
76 FYA 0.644444 0.905405
77 TXA 0.644444 0.932432
78 1ZZ 0.644444 0.839506
79 6AD 0.642857 0.909091
80 ADP BMA 0.640449 0.918919
81 G3A 0.638298 0.921053
82 DAL AMP 0.632184 0.905405
83 AFH 0.631579 0.884615
84 GTA 0.625 0.886076
85 FA5 0.623656 0.906667
86 YAP 0.623656 0.894737
87 UP5 0.622449 0.92
88 XAH 0.617021 0.839506
89 AV2 0.616279 0.917808
90 AOC 0.615385 0.821918
91 NAI 0.606061 0.907895
92 DND 0.606061 0.932432
93 TXD 0.606061 0.907895
94 NAX 0.606061 0.873418
95 NXX 0.606061 0.932432
96 5N5 0.605634 0.819444
97 5AS 0.604938 0.77907
98 A4P 0.60396 0.843373
99 DAT 0.60241 0.905405
100 A2R 0.602273 0.985915
101 5CD 0.597222 0.805556
102 A4D 0.597222 0.819444
103 4TC 0.594059 0.896104
104 AP0 0.594059 0.896104
105 A3P 0.592593 0.971429
106 139 0.592233 0.873418
107 T5A 0.592233 0.841463
108 ATP A A A 0.589474 0.930556
109 LAQ 0.585859 0.839506
110 MYR AMP 0.585106 0.817073
111 YLP 0.58 0.819277
112 UPA 0.578431 0.907895
113 ADJ 0.576923 0.851852
114 3AM 0.576923 0.929577
115 COD 0.575472 0.811765
116 NAD 0.575472 0.931507
117 3AT 0.574713 0.971831
118 EP4 0.573333 0.753247
119 A2P 0.573171 0.957143
120 CNA 0.571429 0.932432
121 TYM 0.568627 0.906667
122 PPS 0.568182 0.873418
123 M2T 0.565789 0.734177
124 DTA 0.565789 0.786667
125 AR6 AR6 0.565657 0.917808
126 A3D 0.564815 0.918919
127 3DH 0.564103 0.773333
128 G5A 0.563218 0.77907
129 YLB 0.563107 0.819277
130 YLC 0.563107 0.839506
131 AMP DBH 0.561224 0.893333
132 MTA 0.558442 0.773333
133 DTP 0.556818 0.905405
134 AHZ 0.554455 0.817073
135 NA7 0.553191 0.958904
136 IOT 0.552381 0.831325
137 ZAS 0.55 0.766234
138 7MD 0.55 0.8625
139 IMO 0.548781 0.929577
140 YLA 0.54717 0.819277
141 NAE 0.544643 0.894737
142 TAD 0.544554 0.884615
143 A5A 0.544444 0.807229
144 2AM 0.544304 0.943662
145 TSB 0.543478 0.819277
146 AYB 0.542056 0.809524
147 NAQ 0.539823 0.871795
148 V3L 0.539326 0.971831
149 AF3 ADP 3PG 0.538462 0.8375
150 ALF ADP 3PG 0.538462 0.8375
151 LA8 ALF 3PG 0.538462 0.8375
152 SSA 0.538462 0.8
153 ZID 0.535088 0.918919
154 LPA AMP 0.533981 0.817073
155 54H 0.532609 0.788235
156 52H 0.532609 0.77907
157 VMS 0.532609 0.788235
158 BTX 0.53211 0.841463
159 A3N 0.53012 0.786667
160 BT5 0.527273 0.831325
161 5CA 0.526882 0.8
162 53H 0.526882 0.77907
163 ARU 0.526316 0.860759
164 EAD 0.525862 0.873418
165 RGT 0.525253 0.958904
166 OVE 0.52439 0.905405
167 S4M 0.52381 0.666667
168 GDP 0.522222 0.92
169 DDS 0.522222 0.878378
170 AVV 0.521277 0.896104
171 NDE 0.521008 0.932432
172 7MC 0.518868 0.841463
173 DSH 0.518072 0.725
174 MAO 0.517647 0.759036
175 NSS 0.515789 0.8
176 DSZ 0.515789 0.8
177 LSS 0.515789 0.761364
178 P5A 0.515464 0.744444
179 DZD 0.513514 0.884615
180 NVA LMS 0.510417 0.761364
181 12D 0.509615 0.785714
182 NAD IBO 0.509091 0.87013
183 M24 0.508772 0.85
184 YLY 0.508772 0.809524
185 P1H 0.508333 0.851852
186 5AD 0.506849 0.746479
187 LEU LMS 0.505155 0.761364
188 4TA 0.504505 0.807229
189 G A A A 0.504505 0.871795
190 NAJ PZO 0.504425 0.848101
191 NDC 0.5 0.871795
192 128 0.5 0.776471
193 A3G 0.5 0.8
194 KAA 0.5 0.752809
195 GSU 0.5 0.77907
196 N0B 0.495726 0.819277
197 NJP 0.495495 0.945946
198 ODP 0.495495 0.909091
199 2SA 0.494624 0.932432
200 6C6 0.494505 0.881579
201 SFG 0.494382 0.75
202 0WD 0.491071 0.921053
203 YSA 0.490196 0.77907
204 PO4 PO4 A A A A PO4 0.489796 0.902778
205 SAM 0.48913 0.690476
206 6IA 0.48913 0.8375
207 A7D 0.488636 0.776316
208 6FA 0.488 0.841463
209 FB0 0.487805 0.804598
210 NAJ PYZ 0.487179 0.85
211 A5D 0.483516 0.786667
212 IDP 0.483516 0.918919
213 SA8 0.483516 0.707317
214 PGS 0.483146 0.883117
215 MHZ 0.483146 0.697674
216 NEC 0.482353 0.746667
217 D5M 0.482353 0.878378
218 DA 0.482353 0.878378
219 NIA 0.481928 0.822785
220 FAD 0.480315 0.851852
221 FAS 0.480315 0.851852
222 FDA 0.48 0.833333
223 N6P 0.479592 0.915493
224 GGZ 0.479167 0.825
225 SAI 0.478261 0.734177
226 SAH 0.478261 0.74359
227 NDP 0.477477 0.921053
228 NPW 0.477477 0.886076
229 AAM 0.476744 0.971429
230 C2R 0.47561 0.90411
231 AMZ 0.47561 0.916667
232 A A A 0.474747 0.905405
233 GTP 0.473684 0.92
234 SMM 0.473684 0.686047
235 TXP 0.473214 0.921053
236 NZQ 0.473214 0.909091
237 A3S 0.47191 0.810811
238 AMP NAD 0.470588 0.881579
239 SFD 0.46875 0.734043
240 AIR 0.468354 0.901408
241 EEM 0.468085 0.690476
242 AAT 0.468085 0.707317
243 J7V 0.466667 0.833333
244 Z5A 0.466667 0.77907
245 FAY 0.462121 0.8625
246 ETB 0.461538 0.833333
247 A3T 0.461538 0.821918
248 DCA 0.461538 0.823529
249 A6D 0.46 0.722892
250 A U 0.459459 0.87013
251 6K6 0.459184 0.930556
252 GEK 0.459184 0.7375
253 RFL 0.458647 0.821429
254 NAP 0.458333 0.945205
255 S7M 0.458333 0.690476
256 WSA 0.454545 0.788235
257 TAP 0.454545 0.907895
258 FNK 0.454545 0.804598
259 COA 0.453782 0.823529
260 101 0.453488 0.878378
261 NA0 0.45082 0.932432
262 PA7 0.449438 0.708861
263 7RP 0.448276 0.928571
264 GP3 0.446809 0.921053
265 TM1 0.446602 0.77381
266 APU 0.446429 0.894737
267 PUA 0.445378 0.884615
268 V1N 0.443396 0.917808
269 7RA 0.443182 0.957747
270 AMX 0.442623 0.833333
271 COS 0.442623 0.804598
272 CAO 0.442623 0.795455
273 30N 0.442623 0.752688
274 QQY 0.44186 0.815789
275 ACK 0.44186 0.861111
276 0UM 0.44 0.698795
277 NHD 0.439655 0.905405
278 SCO 0.439024 0.823529
279 CMX 0.439024 0.823529
280 GCP 0.438776 0.896104
281 8BR 0.438202 0.906667
282 3AD 0.4375 0.805556
283 GNH 0.4375 0.907895
284 FAM 0.435484 0.804598
285 FCX 0.435484 0.795455
286 ACO 0.435484 0.795455
287 GNP 0.434343 0.896104
288 NMX 0.433071 0.76087
289 MGP 0.43299 0.884615
290 PLP AAD 0.432203 0.741573
291 26A 0.432099 0.763158
292 HAX 0.432 0.804598
293 K15 0.431373 0.682353
294 1DG 0.430894 0.921053
295 DG1 0.430894 0.921053
296 QQX 0.430233 0.805195
297 2VA 0.430108 0.8
298 2MC 0.429688 0.769231
299 FYN 0.428571 0.823529
300 P5F 0.428571 0.823529
301 U G A 0.427481 0.839506
302 RMB 0.426966 0.873239
303 FAI 0.426966 0.916667
304 1RB 0.425287 0.885714
305 SOP 0.425197 0.804598
306 OXK 0.425197 0.804598
307 COK 0.425197 0.804598
308 MCD 0.425197 0.804598
309 CA6 0.425197 0.729167
310 G1R 0.424242 0.907895
311 CC5 0.423077 0.816901
312 NOS 0.423077 0.791667
313 F2N 0.422535 0.813953
314 ANZ 0.422018 0.8
315 CMC 0.421875 0.804598
316 CO6 0.421875 0.804598
317 1VU 0.421875 0.795455
318 GDC 0.420561 0.884615
319 GDD 0.420561 0.884615
320 GKE 0.420561 0.884615
321 NFD 0.420168 0.883117
322 GSP 0.42 0.873418
323 D3Y 0.42 0.789474
324 MC4 0.419847 0.76087
325 3L1 0.419753 0.773333
326 3D1 0.419753 0.773333
327 FA9 0.41958 0.864198
328 G 0.419355 0.906667
329 5GP 0.419355 0.906667
330 SCD 0.418605 0.823529
331 CAJ 0.418605 0.804598
332 CMP 0.417582 0.901408
333 2BA 0.417582 0.915493
334 N01 0.416667 0.905405
335 MLC 0.415385 0.804598
336 3HC 0.415385 0.813953
337 1HE 0.415385 0.786517
338 NMN AMP PO4 0.415254 0.87013
339 2FA 0.414634 0.813333
340 MGO 0.414141 0.860759
341 3NZ 0.413462 0.782051
342 YE1 0.412214 0.813953
343 MCA 0.412214 0.795455
344 CAA 0.412214 0.813953
345 GAV 0.411765 0.884615
346 JLN 0.411111 0.890411
347 P2P 0.411111 0.902778
348 ZZB 0.410256 0.77381
349 CNV FAD 0.410072 0.793103
350 2CP 0.409091 0.795455
351 103 0.409091 0.837838
352 SCA 0.409091 0.804598
353 RP1 0.409091 0.842105
354 SP1 0.409091 0.842105
355 PAX 0.408 0.829268
356 FAD NBT 0.407143 0.75
357 NVA 2AD 0.40625 0.74359
358 IRC 0.406015 0.813953
359 3CP 0.406015 0.804598
360 COW 0.406015 0.795455
361 HGG 0.406015 0.804598
362 BYC 0.406015 0.804598
363 2KQ 0.406015 0.786517
364 COF 0.406015 0.786517
365 CA8 0.406015 0.729167
366 1GZ 0.406015 0.795455
367 G2P 0.405941 0.884615
368 SLU 0.404959 0.770115
369 RBZ 0.404494 0.849315
370 1CZ 0.404412 0.795455
371 FAQ 0.402985 0.804598
372 4CA 0.402985 0.795455
373 BCA 0.402985 0.795455
374 MTP 0.402439 0.730769
375 8OD 0.402062 0.945205
376 CO7 0.401515 0.804598
377 DAL FAD PER 0.401408 0.809524
378 GMV 0.4 0.896104
379 HXC 0.4 0.786517
380 ENQ 0.4 0.916667
381 G2R 0.4 0.884615
382 GRA 0.4 0.804598
Ligand no: 2; Ligand: DAR; Similar ligands found: 34
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG 1 1
2 DAR 1 1
3 CIR 0.735294 0.763158
4 ILO 0.615385 0.783784
5 3AR 0.595238 0.891892
6 HAR 0.585366 0.780488
7 VIO 0.581395 0.769231
8 DA2 0.55814 0.744186
9 2YH 0.545455 0.65
10 3KJ 0.545455 0.680851
11 1KJ 0.533333 0.744186
12 JM2 0.533333 0.731707
13 NRG 0.521739 0.622642
14 2YJ 0.521739 0.619048
15 API 0.515152 0.611111
16 LN6 0.510638 0.725
17 JM7 0.5 0.731707
18 HRG 0.5 0.941176
19 AS1 0.489796 0.8
20 D20 0.489796 0.744186
21 2KJ 0.489796 0.727273
22 ORN 0.472222 0.757576
23 JM4 0.470588 0.697674
24 JM8 0.470588 0.714286
25 JM6 0.470588 0.697674
26 MLZ 0.463415 0.65
27 JM5 0.461538 0.714286
28 DLY 0.447368 0.735294
29 DAB 0.441176 0.685714
30 LYS 0.435897 0.764706
31 0TF 0.428571 0.619048
32 2YG 0.42 0.619048
33 PG3 0.416667 0.756757
34 6CL 0.414634 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1M15; Ligand: ADP; Similar sites found: 190
This union binding pocket(no: 1) in the query (biounit: 1m15.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2G30 ALA ALA PHE 0.000004906 0.62584
2 3SAO DBH 0.00002582 0.6067
3 4K55 H6P 0.00002704 0.59543
4 3QRC SCR 0.0008007 0.51729
5 1QKQ MAN 0.0003149 0.51224
6 3CBC DBS 0.0007698 0.50742
7 3CBC DBS 0.0009321 0.50261
8 4DSU BZI 0.001266 0.49446
9 3CBC DBS 0.001436 0.49212
10 4KBC 1QJ 0.0006821 0.48343
11 4R38 RBF 0.000445 0.46844
12 4R38 RBF 0.000445 0.46844
13 1GT4 UNA 0.0009454 0.46667
14 3QRC SCR 0.001245 0.46556
15 4KBC 1QJ 0.001608 0.46495
16 4KBC 1QJ 0.001608 0.46495
17 1Y7P RIP 0.003609 0.46197
18 1VKF CIT 0.004056 0.46194
19 1VKF CIT 0.004391 0.46063
20 4FFG 0U8 0.004179 0.457
21 2PNC CLU 0.006425 0.45557
22 3P7N FMN 0.00118 0.45353
23 3UYT 0CK 0.001229 0.45272
24 3ZJX BOG 0.006777 0.45263
25 1VKF CIT 0.005507 0.45233
26 2VDF OCT 0.004268 0.45086
27 4KBA 1QM 0.001706 0.45026
28 4KBA 1QM 0.001706 0.45026
29 2YKL NLD 0.00331 0.44938
30 3VV1 GAL FUC 0.01 0.44742
31 2GUD MAN 0.01015 0.44738
32 3UZP 0CK 0.001648 0.44692
33 3UZP 0CK 0.001648 0.44692
34 3H0L ADP 0.005823 0.44622
35 3H0L ADP 0.005874 0.44602
36 3H0L ADP 0.005897 0.44593
37 4HNF 16W 0.002696 0.44505
38 3T4L ZEA 0.002242 0.44474
39 4FFG 0U8 0.008396 0.44459
40 2GUC MAN 0.0115 0.44454
41 3GD9 GLC BGC BGC BGC 0.004434 0.44307
42 2HYQ MAN MAN 0.01155 0.44241
43 4MOB ADP 0.009464 0.4424
44 3ZJX BOG 0.01064 0.44027
45 2D24 XYS XYS 0.01092 0.43936
46 4C2W ANP 0.01082 0.43906
47 2WKQ FMN 0.002456 0.43902
48 1RYD GLC 0.01092 0.43871
49 3ZJX BOG 0.01135 0.43865
50 2HYR BGC GLC 0.01275 0.43838
51 2XG5 EC2 0.007462 0.43728
52 2XG5 EC5 0.007462 0.43728
53 2HYR BGC GLC 0.01329 0.43706
54 4R38 RBF 0.002784 0.43654
55 3UZP 0CK 0.003393 0.43637
56 1ULE GLA GAL NAG 0.005937 0.43583
57 1WW5 SGA BGC 0.01091 0.43552
58 3H0L ADP 0.007742 0.43526
59 2V0U FMN 0.002982 0.43518
60 3H0L ADP 0.007773 0.43517
61 1C1L GAL BGC 0.0149 0.43513
62 3UYT 0CK 0.003043 0.43478
63 2PR5 FMN 0.003095 0.43445
64 2PR5 FMN 0.003095 0.43445
65 3LTW HLZ 0.01413 0.43383
66 3LTW HLZ 0.01413 0.43383
67 3H0L ADP 0.008294 0.43373
68 3H0L ADP 0.008306 0.4337
69 3IWD M2T 0.01014 0.43351
70 3M3E GAL A2G NPO 0.01343 0.4331
71 3H0L ADP 0.008743 0.43256
72 2WZ5 MET 0.002146 0.43227
73 1GUI BGC BGC BGC BGC BGC BGC 0.01318 0.43219
74 1MFI FHC 0.01522 0.4317
75 1WW5 SGA BGC 0.01182 0.43151
76 3ZJX BOG 0.01524 0.43071
77 2YMZ LAT 0.00486 0.43064
78 4R38 RBF 0.00313 0.43062
79 4R38 RBF 0.00313 0.43062
80 1N9L FMN 0.003791 0.43043
81 1N9L FMN 0.003791 0.43043
82 1N9L FMN 0.003791 0.43043
83 3KYF 5GP 5GP 0.009701 0.43026
84 3T50 FMN 0.003912 0.42981
85 3T50 FMN 0.003912 0.42981
86 1JAC AMG 0.015 0.42927
87 4KBA 1QM 0.00862 0.4287
88 3WG3 A2G GAL NAG FUC 0.0159 0.42843
89 4EES FMN 0.003662 0.42757
90 3P7N FMN 0.003769 0.42701
91 2NU5 NAG 0.01745 0.42637
92 4R38 RBF 0.004261 0.42463
93 1F52 ADP 0.01061 0.4242
94 3OYW TDG 0.01908 0.42354
95 1MAI I3P 0.02741 0.42332
96 1ZNY GDP 0.01933 0.42324
97 3IWD M2T 0.01414 0.42323
98 1OFL NGK GCD 0.01416 0.42281
99 2NZ2 CIR 0.02034 0.42205
100 4LOO SB4 0.007189 0.42118
101 4KBA 1QM 0.008786 0.42064
102 3UYT 0CK 0.006223 0.42061
103 3VKX T3 0.01805 0.42052
104 1VBO MAN MAN MAN 0.02646 0.42023
105 2ZHL NAG GAL GAL NAG 0.01547 0.4199
106 1OF4 BMA BMA BMA BMA BMA 0.02492 0.41851
107 1IS3 LAT 0.02199 0.41818
108 1YFS ALA 0.0185 0.4181
109 1KGI T4A 0.003614 0.41809
110 4IAW LIZ 0.01701 0.4178
111 2QHS OCA 0.01706 0.41773
112 2Z6C FMN 0.007702 0.41638
113 4FK7 P34 0.034 0.4162
114 2TPI ILE VAL 0.009261 0.41605
115 2Z6D FMN 0.007875 0.41594
116 2RDE C2E 0.01557 0.41589
117 1ULE GLA GAL NAG 0.02397 0.41534
118 2FKA BEF 0.02609 0.4152
119 1YP6 PRZ 0.009754 0.415
120 2PFC PLM 0.01634 0.41485
121 4LIT AKG 0.0301 0.41434
122 2P7Q GG6 0.02935 0.41358
123 1DZK PRZ 0.01253 0.41329
124 3IWD M2T 0.02994 0.41297
125 4IAW LIZ 0.02556 0.41258
126 4LBK GAL NAG GAL BGC 0.013 0.41252
127 4FF8 14S 0.02574 0.41241
128 1GPM AMP 0.03711 0.4123
129 3I8T LBT 0.001441 0.41199
130 3DOO SKM 0.03736 0.41191
131 4KBA 1QM 0.01148 0.41169
132 1WS4 AMG 0.02189 0.41159
133 2YMZ LAT 0.007543 0.41157
134 2P7Q GG6 0.02699 0.41132
135 1GZF NIR 0.03233 0.41116
136 1D2S DHT 0.01434 0.4105
137 2QL9 CIT 0.03433 0.41028
138 1BC5 ACE ASN TRP GLU THR PHE 0.02828 0.41025
139 2O2U 738 0.01729 0.41001
140 1SZ0 M6P 0.03655 0.40987
141 3UYT 0CK 0.01073 0.40979
142 1Y7P RIP 0.03554 0.40932
143 3HCH RSM 0.03603 0.40882
144 4X2K 3WO 0.01875 0.40829
145 4X2J 3WN 0.01875 0.40829
146 3HCH RSM 0.03868 0.40823
147 1GZW GAL BGC 0.02854 0.40812
148 3CM2 X23 0.03836 0.40801
149 2Z5Y HRM 0.03154 0.40775
150 2Z5Y HRM 0.03154 0.40775
151 1UYY BGC BGC BGC 0.02268 0.4077
152 4HAP CBI 0.03199 0.40743
153 3VY6 BGC BGC 0.02735 0.40728
154 4K30 NLG 0.03244 0.40711
155 3VV1 GAL FUC 0.02954 0.40636
156 4P25 FUC GAL NAG FUC 0.02899 0.4059
157 3OQJ 3CX 0.02922 0.40573
158 3FW4 CAQ 0.009644 0.40573
159 3FW4 CAQ 0.008389 0.40545
160 3CM2 X23 0.04139 0.40533
161 3CM2 X23 0.04139 0.40533
162 1XK5 TPG 0.04025 0.40513
163 1QY1 PRZ 0.01169 0.405
164 1QY1 PRZ 0.01169 0.405
165 2F7A BEZ 0.0334 0.40456
166 2CM4 RCL 0.01025 0.40456
167 1UGY GLA GLC 0.04194 0.40443
168 1SLT NDG GAL 0.02943 0.40405
169 1WS5 MMA 0.02574 0.40384
170 1KUJ MMA 0.02545 0.4035
171 4QDC ASD 0.0202 0.40336
172 2NUO BGC 0.03986 0.40311
173 1W6P NDG GAL 0.01938 0.40307
174 3CM2 X23 0.04565 0.40301
175 3CM2 X23 0.04565 0.40301
176 1UGY GLA BGC 0.02766 0.40294
177 4IPM TCB 0.04589 0.40289
178 3WG3 A2G GAL NAG FUC 0.03896 0.40289
179 1YFS ALA 0.03017 0.40261
180 2QK4 ATP 0.03968 0.40247
181 4M1U A2G MBG 0.02497 0.40242
182 3CM2 X23 0.04774 0.40242
183 3CM2 X23 0.04774 0.40242
184 4KYS VIB 0.04927 0.4012
185 1W8S FBP 0.03101 0.40088
186 4O9S 2RY 0.00691 0.40075
187 4O9S 2RY 0.00691 0.40075
188 4JX1 CAH 0.03951 0.40034
189 1JOT GAL A2G 0.03543 0.40008
190 1GZW GAL BGC 0.02069 0.40007
Pocket No.: 2; Query (leader) PDB : 1M15; Ligand: ARG; Similar sites found: 190
This union binding pocket(no: 2) in the query (biounit: 1m15.bio1) has 33 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc)
1 2G30 ALA ALA PHE 0.000004906 0.62584
2 3SAO DBH 0.00002582 0.6067
3 4K55 H6P 0.00002704 0.59543
4 3QRC SCR 0.0008007 0.51729
5 1QKQ MAN 0.0003149 0.51224
6 3CBC DBS 0.0007698 0.50742
7 3CBC DBS 0.0009321 0.50261
8 4DSU BZI 0.001266 0.49446
9 3CBC DBS 0.001436 0.49212
10 4KBC 1QJ 0.0006821 0.48343
11 4R38 RBF 0.000445 0.46844
12 4R38 RBF 0.000445 0.46844
13 1GT4 UNA 0.0009454 0.46667
14 3QRC SCR 0.001245 0.46556
15 4KBC 1QJ 0.001608 0.46495
16 4KBC 1QJ 0.001608 0.46495
17 1Y7P RIP 0.003609 0.46197
18 1VKF CIT 0.004056 0.46194
19 1VKF CIT 0.004391 0.46063
20 4FFG 0U8 0.004179 0.457
21 2PNC CLU 0.006425 0.45557
22 3P7N FMN 0.00118 0.45353
23 3UYT 0CK 0.001229 0.45272
24 3ZJX BOG 0.006777 0.45263
25 1VKF CIT 0.005507 0.45233
26 2VDF OCT 0.004268 0.45086
27 4KBA 1QM 0.001706 0.45026
28 4KBA 1QM 0.001706 0.45026
29 2YKL NLD 0.00331 0.44938
30 3VV1 GAL FUC 0.01 0.44742
31 2GUD MAN 0.01015 0.44738
32 3UZP 0CK 0.001648 0.44692
33 3UZP 0CK 0.001648 0.44692
34 3H0L ADP 0.005823 0.44622
35 3H0L ADP 0.005874 0.44602
36 3H0L ADP 0.005897 0.44593
37 4HNF 16W 0.002696 0.44505
38 3T4L ZEA 0.002242 0.44474
39 4FFG 0U8 0.008396 0.44459
40 2GUC MAN 0.0115 0.44454
41 3GD9 GLC BGC BGC BGC 0.004434 0.44307
42 2HYQ MAN MAN 0.01155 0.44241
43 4MOB ADP 0.009464 0.4424
44 3ZJX BOG 0.01064 0.44027
45 2D24 XYS XYS 0.01092 0.43936
46 4C2W ANP 0.01082 0.43906
47 2WKQ FMN 0.002456 0.43902
48 1RYD GLC 0.01092 0.43871
49 3ZJX BOG 0.01135 0.43865
50 2HYR BGC GLC 0.01275 0.43838
51 2XG5 EC2 0.007462 0.43728
52 2XG5 EC5 0.007462 0.43728
53 2HYR BGC GLC 0.01329 0.43706
54 4R38 RBF 0.002784 0.43654
55 3UZP 0CK 0.003393 0.43637
56 1ULE GLA GAL NAG 0.005937 0.43583
57 1WW5 SGA BGC 0.01091 0.43552
58 3H0L ADP 0.007742 0.43526
59 2V0U FMN 0.002982 0.43518
60 3H0L ADP 0.007773 0.43517
61 1C1L GAL BGC 0.0149 0.43513
62 3UYT 0CK 0.003043 0.43478
63 2PR5 FMN 0.003095 0.43445
64 2PR5 FMN 0.003095 0.43445
65 3LTW HLZ 0.01413 0.43383
66 3LTW HLZ 0.01413 0.43383
67 3H0L ADP 0.008294 0.43373
68 3H0L ADP 0.008306 0.4337
69 3IWD M2T 0.01014 0.43351
70 3M3E GAL A2G NPO 0.01343 0.4331
71 3H0L ADP 0.008743 0.43256
72 2WZ5 MET 0.002146 0.43227
73 1GUI BGC BGC BGC BGC BGC BGC 0.01318 0.43219
74 1MFI FHC 0.01522 0.4317
75 1WW5 SGA BGC 0.01182 0.43151
76 3ZJX BOG 0.01524 0.43071
77 2YMZ LAT 0.00486 0.43064
78 4R38 RBF 0.00313 0.43062
79 4R38 RBF 0.00313 0.43062
80 1N9L FMN 0.003791 0.43043
81 1N9L FMN 0.003791 0.43043
82 1N9L FMN 0.003791 0.43043
83 3KYF 5GP 5GP 0.009701 0.43026
84 3T50 FMN 0.003912 0.42981
85 3T50 FMN 0.003912 0.42981
86 1JAC AMG 0.015 0.42927
87 4KBA 1QM 0.00862 0.4287
88 3WG3 A2G GAL NAG FUC 0.0159 0.42843
89 4EES FMN 0.003662 0.42757
90 3P7N FMN 0.003769 0.42701
91 2NU5 NAG 0.01745 0.42637
92 4R38 RBF 0.004261 0.42463
93 1F52 ADP 0.01061 0.4242
94 3OYW TDG 0.01908 0.42354
95 1MAI I3P 0.02741 0.42332
96 1ZNY GDP 0.01933 0.42324
97 3IWD M2T 0.01414 0.42323
98 1OFL NGK GCD 0.01416 0.42281
99 2NZ2 CIR 0.02034 0.42205
100 4LOO SB4 0.007189 0.42118
101 4KBA 1QM 0.008786 0.42064
102 3UYT 0CK 0.006223 0.42061
103 3VKX T3 0.01805 0.42052
104 1VBO MAN MAN MAN 0.02646 0.42023
105 2ZHL NAG GAL GAL NAG 0.01547 0.4199
106 1OF4 BMA BMA BMA BMA BMA 0.02492 0.41851
107 1IS3 LAT 0.02199 0.41818
108 1YFS ALA 0.0185 0.4181
109 1KGI T4A 0.003614 0.41809
110 4IAW LIZ 0.01701 0.4178
111 2QHS OCA 0.01706 0.41773
112 2Z6C FMN 0.007702 0.41638
113 4FK7 P34 0.034 0.4162
114 2TPI ILE VAL 0.009261 0.41605
115 2Z6D FMN 0.007875 0.41594
116 2RDE C2E 0.01557 0.41589
117 1ULE GLA GAL NAG 0.02397 0.41534
118 2FKA BEF 0.02609 0.4152
119 1YP6 PRZ 0.009754 0.415
120 2PFC PLM 0.01634 0.41485
121 4LIT AKG 0.0301 0.41434
122 2P7Q GG6 0.02935 0.41358
123 1DZK PRZ 0.01253 0.41329
124 3IWD M2T 0.02994 0.41297
125 4IAW LIZ 0.02556 0.41258
126 4LBK GAL NAG GAL BGC 0.013 0.41252
127 4FF8 14S 0.02574 0.41241
128 1GPM AMP 0.03711 0.4123
129 3I8T LBT 0.001441 0.41199
130 3DOO SKM 0.03736 0.41191
131 4KBA 1QM 0.01148 0.41169
132 1WS4 AMG 0.02189 0.41159
133 2YMZ LAT 0.007543 0.41157
134 2P7Q GG6 0.02699 0.41132
135 1GZF NIR 0.03233 0.41116
136 1D2S DHT 0.01434 0.4105
137 2QL9 CIT 0.03433 0.41028
138 1BC5 ACE ASN TRP GLU THR PHE 0.02828 0.41025
139 2O2U 738 0.01729 0.41001
140 1SZ0 M6P 0.03655 0.40987
141 3UYT 0CK 0.01073 0.40979
142 1Y7P RIP 0.03554 0.40932
143 3HCH RSM 0.03603 0.40882
144 4X2K 3WO 0.01875 0.40829
145 4X2J 3WN 0.01875 0.40829
146 3HCH RSM 0.03868 0.40823
147 1GZW GAL BGC 0.02854 0.40812
148 3CM2 X23 0.03836 0.40801
149 2Z5Y HRM 0.03154 0.40775
150 2Z5Y HRM 0.03154 0.40775
151 1UYY BGC BGC BGC 0.02268 0.4077
152 4HAP CBI 0.03199 0.40743
153 3VY6 BGC BGC 0.02735 0.40728
154 4K30 NLG 0.03244 0.40711
155 3VV1 GAL FUC 0.02954 0.40636
156 4P25 FUC GAL NAG FUC 0.02899 0.4059
157 3OQJ 3CX 0.02922 0.40573
158 3FW4 CAQ 0.009644 0.40573
159 3FW4 CAQ 0.008389 0.40545
160 3CM2 X23 0.04139 0.40533
161 3CM2 X23 0.04139 0.40533
162 1XK5 TPG 0.04025 0.40513
163 1QY1 PRZ 0.01169 0.405
164 1QY1 PRZ 0.01169 0.405
165 2F7A BEZ 0.0334 0.40456
166 2CM4 RCL 0.01025 0.40456
167 1UGY GLA GLC 0.04194 0.40443
168 1SLT NDG GAL 0.02943 0.40405
169 1WS5 MMA 0.02574 0.40384
170 1KUJ MMA 0.02545 0.4035
171 4QDC ASD 0.0202 0.40336
172 2NUO BGC 0.03986 0.40311
173 1W6P NDG GAL 0.01938 0.40307
174 3CM2 X23 0.04565 0.40301
175 3CM2 X23 0.04565 0.40301
176 1UGY GLA BGC 0.02766 0.40294
177 4IPM TCB 0.04589 0.40289
178 3WG3 A2G GAL NAG FUC 0.03896 0.40289
179 1YFS ALA 0.03017 0.40261
180 2QK4 ATP 0.03968 0.40247
181 4M1U A2G MBG 0.02497 0.40242
182 3CM2 X23 0.04774 0.40242
183 3CM2 X23 0.04774 0.40242
184 4KYS VIB 0.04927 0.4012
185 1W8S FBP 0.03101 0.40088
186 4O9S 2RY 0.00691 0.40075
187 4O9S 2RY 0.00691 0.40075
188 4JX1 CAH 0.03951 0.40034
189 1JOT GAL A2G 0.03543 0.40008
190 1GZW GAL BGC 0.02069 0.40007
Feedback