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Receptor
PDB id Resolution Class Description Source Keywords
1SD0 2.3 Å EC: 2.7.3.3 STRUCTURE OF ARGININE KINASE C271A MUTANT LIMULUS POLYPHEMUS ESSENTIAL CYSTEINE BIMOLECULAR PHOSPHOTRANSFERASE TRANSITION STATE CHLORIDE PHOSPHAGEN KINASE
Ref.: THE ACTIVE SITE CYSTEINE OF ARGININE KINASE: STRUCTURAL AND FUNCTIONAL ANALYSIS OF PARTIALLY ACTIVE MUTANTS BIOCHEMISTRY V. 43 8680 2004
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(...
ARG A:403;
Valid;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
CL A:404;
Invalid;
none;
submit data
35.453 Cl [Cl-]
MG A:402;
Invalid;
none;
submit data
24.305 Mg [Mg+2...
NO3 A:401;
Invalid;
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 TRANSITANALOG ADENOSINE TRIPHOSPHATE TRANSFERASE
Ref.: REFINEMENT OF THE ARGININE KINASE TRANSITION-STATE COMPLEX AT 1.2 A RESOLUTION: MECHANISTIC INSIGHTS. ACTA CRYSTALLOGR.,SECT.D V. 58 2009 2002
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 1BG0 - DAR C6 H15 N4 O2 C(C[C@H](C....
2 1M15 - ARG C6 H15 N4 O2 C(C[C@@H](....
3 5J99 - ARG C6 H15 N4 O2 C(C[C@@H](....
4 1P52 - DAR C6 H15 N4 O2 C(C[C@H](C....
5 1RL9 - IOM C4 H11 N3 O2 CN(CC(=O)O....
6 4GW2 - ORN C5 H12 N2 O2 C(C[C@@H](....
7 1SD0 - ARG C6 H15 N4 O2 C(C[C@@H](....
8 4GW0 - ILO C7 H15 N3 O2 CC(=N)NCCC....
9 5J9A - ARG C6 H15 N4 O2 C(C[C@@H](....
10 4GVY - CIR C6 H13 N3 O3 C(C[C@@H](....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4BHL - ARG C6 H15 N4 O2 C(C[C@@H](....
2 1BG0 - DAR C6 H15 N4 O2 C(C[C@H](C....
3 1M15 - ARG C6 H15 N4 O2 C(C[C@@H](....
4 5J99 - ARG C6 H15 N4 O2 C(C[C@@H](....
5 1P52 - DAR C6 H15 N4 O2 C(C[C@H](C....
6 1RL9 - IOM C4 H11 N3 O2 CN(CC(=O)O....
7 4GW2 - ORN C5 H12 N2 O2 C(C[C@@H](....
8 1SD0 - ARG C6 H15 N4 O2 C(C[C@@H](....
9 4GW0 - ILO C7 H15 N3 O2 CC(=N)NCCC....
10 5J9A - ARG C6 H15 N4 O2 C(C[C@@H](....
11 4GVY - CIR C6 H13 N3 O3 C(C[C@@H](....
50% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 3JQ3 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 1VRP - IOM C4 H11 N3 O2 CN(CC(=O)O....
3 3B6R - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
4 3DRB - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
5 4BHL - ARG C6 H15 N4 O2 C(C[C@@H](....
6 1U6R - IOM C4 H11 N3 O2 CN(CC(=O)O....
7 1BG0 - DAR C6 H15 N4 O2 C(C[C@H](C....
8 1M15 - ARG C6 H15 N4 O2 C(C[C@@H](....
9 5J99 - ARG C6 H15 N4 O2 C(C[C@@H](....
10 1P52 - DAR C6 H15 N4 O2 C(C[C@H](C....
11 1RL9 - IOM C4 H11 N3 O2 CN(CC(=O)O....
12 4GW2 - ORN C5 H12 N2 O2 C(C[C@@H](....
13 1SD0 - ARG C6 H15 N4 O2 C(C[C@@H](....
14 4GW0 - ILO C7 H15 N3 O2 CC(=N)NCCC....
15 5J9A - ARG C6 H15 N4 O2 C(C[C@@H](....
16 4GVY - CIR C6 H13 N3 O3 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 452
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 HEJ 0.9 1
3 ATP 0.9 1
4 A2D 0.895522 0.971831
5 5FA 0.887324 1
6 AQP 0.887324 1
7 AP5 0.884058 0.971831
8 B4P 0.884058 0.971831
9 BA3 0.869565 0.971831
10 AN2 0.84507 0.985915
11 AT4 0.84507 0.958904
12 M33 0.833333 0.958333
13 ACQ 0.826667 0.972222
14 A 0.823529 0.971429
15 AMP 0.823529 0.971429
16 ACP 0.821918 0.972222
17 6YZ 0.818182 0.972222
18 APR 0.810811 0.971831
19 AR6 0.810811 0.971831
20 ANP 0.802632 0.972222
21 SAP 0.8 0.945946
22 AGS 0.8 0.945946
23 AD9 0.8 0.972222
24 ADX 0.783784 0.873418
25 CA0 0.783784 0.945205
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 ABM 0.763889 0.917808
30 APC 0.763158 0.958904
31 PRX 0.763158 0.893333
32 ATF 0.759494 0.958904
33 A22 0.753086 0.985915
34 AP2 0.743243 0.958904
35 A12 0.743243 0.958904
36 SRA 0.736111 0.918919
37 ADQ 0.73494 0.945205
38 25L 0.732558 0.985915
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 A3R 0.714286 0.907895
44 ATR 0.708861 0.971429
45 ADP PO3 0.708861 0.943662
46 PAP 0.708861 0.985714
47 SRP 0.707317 0.906667
48 7D3 0.706667 0.905405
49 25A 0.702381 0.971831
50 9X8 0.697674 0.92
51 OAD 0.697674 0.945205
52 RBY 0.6875 0.932432
53 ADV 0.6875 0.932432
54 00A 0.686047 0.883117
55 OOB 0.682353 0.931507
56 5SV 0.682353 0.848101
57 8QN 0.682353 0.931507
58 3OD 0.681818 0.945205
59 BIS 0.681818 0.933333
60 ALF ADP 0.674699 0.87013
61 ADP ALF 0.674699 0.87013
62 AMO 0.674419 0.932432
63 4AD 0.674419 0.92
64 PAJ 0.674419 0.884615
65 GAP 0.670732 0.893333
66 MAP 0.670588 0.945946
67 AHX 0.666667 0.896104
68 VO4 ADP 0.666667 0.931507
69 DLL 0.666667 0.931507
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LMS 0.653333 0.82716
75 LAD 0.651685 0.860759
76 WAQ 0.651685 0.883117
77 B5V 0.651685 0.906667
78 PR8 0.651685 0.85
79 ITT 0.65 0.943662
80 7D4 0.65 0.905405
81 G5P 0.648936 0.921053
82 XYA 0.647059 0.84507
83 ADN 0.647059 0.84507
84 RAB 0.647059 0.84507
85 1ZZ 0.644444 0.839506
86 ME8 0.644444 0.839506
87 FYA 0.644444 0.905405
88 NB8 0.644444 0.896104
89 TXA 0.644444 0.932432
90 6AD 0.642857 0.909091
91 ADP BMA 0.640449 0.918919
92 G3A 0.638298 0.921053
93 DAL AMP 0.632184 0.905405
94 AFH 0.631579 0.884615
95 9SN 0.630435 0.871795
96 9ZA 0.625 0.907895
97 DQV 0.625 0.958333
98 9ZD 0.625 0.907895
99 GTA 0.625 0.886076
100 YAP 0.623656 0.894737
101 B5M 0.623656 0.894737
102 FA5 0.623656 0.906667
103 B5Y 0.623656 0.894737
104 UP5 0.622449 0.92
105 HFD 0.619048 0.945946
106 XAH 0.617021 0.839506
107 AV2 0.616279 0.917808
108 AOC 0.615385 0.821918
109 48N 0.612245 0.896104
110 4UV 0.610526 0.894737
111 6V0 0.606061 0.896104
112 NAI 0.606061 0.907895
113 DND 0.606061 0.932432
114 NAX 0.606061 0.873418
115 NXX 0.606061 0.932432
116 TXD 0.606061 0.907895
117 5N5 0.605634 0.819444
118 5AS 0.604938 0.77907
119 A4P 0.60396 0.843373
120 DAT 0.60241 0.905405
121 A2R 0.602273 0.985915
122 TXE 0.6 0.907895
123 OMR 0.6 0.851852
124 4UU 0.597938 0.894737
125 GA7 0.597938 0.906667
126 A A 0.597826 0.944444
127 A4D 0.597222 0.819444
128 5CD 0.597222 0.805556
129 AP0 0.594059 0.896104
130 4TC 0.594059 0.896104
131 A3P 0.592593 0.971429
132 T5A 0.592233 0.841463
133 139 0.592233 0.873418
134 7D5 0.592105 0.878378
135 ATP A A A 0.589474 0.930556
136 LAQ 0.585859 0.839506
137 MYR AMP 0.585106 0.817073
138 F2R 0.580952 0.864198
139 YLP 0.58 0.819277
140 UPA 0.578431 0.907895
141 7DD 0.578313 0.985714
142 3AM 0.576923 0.929577
143 ADJ 0.576923 0.851852
144 COD 0.575472 0.811765
145 NAD 0.575472 0.931507
146 3AT 0.574713 0.971831
147 JB6 0.574468 0.883117
148 4UW 0.574257 0.860759
149 EP4 0.573333 0.753247
150 A2P 0.573171 0.957143
151 CNA 0.571429 0.932432
152 TYM 0.568627 0.906667
153 PPS 0.568182 0.873418
154 DTA 0.565789 0.786667
155 M2T 0.565789 0.734177
156 AR6 AR6 0.565657 0.917808
157 A3D 0.564815 0.918919
158 80F 0.564815 0.841463
159 3DH 0.564103 0.773333
160 G5A 0.563218 0.77907
161 YLB 0.563107 0.819277
162 YLC 0.563107 0.839506
163 AMP DBH 0.561224 0.893333
164 TYR AMP 0.561224 0.87013
165 MTA 0.558442 0.773333
166 DTP 0.556818 0.905405
167 AHZ 0.554455 0.817073
168 NA7 0.553191 0.958904
169 IOT 0.552381 0.831325
170 ZAS 0.55 0.766234
171 7MD 0.55 0.8625
172 ARG AMP 0.55 0.829268
173 IMO 0.548781 0.929577
174 YLA 0.54717 0.819277
175 NAE 0.544643 0.894737
176 TAD 0.544554 0.884615
177 A5A 0.544444 0.807229
178 2AM 0.544304 0.943662
179 TSB 0.543478 0.819277
180 6RE 0.54321 0.759494
181 AYB 0.542056 0.809524
182 NAQ 0.539823 0.871795
183 V3L 0.539326 0.971831
184 SSA 0.538462 0.8
185 AF3 ADP 3PG 0.538462 0.8375
186 ZID 0.535088 0.918919
187 LPA AMP 0.533981 0.817073
188 52H 0.532609 0.77907
189 VMS 0.532609 0.788235
190 54H 0.532609 0.788235
191 BTX 0.53211 0.841463
192 A3N 0.53012 0.786667
193 J7C 0.53012 0.769231
194 5X8 0.528736 0.763158
195 BT5 0.527273 0.831325
196 8X1 0.526882 0.752809
197 5CA 0.526882 0.8
198 53H 0.526882 0.77907
199 ARU 0.526316 0.860759
200 EAD 0.525862 0.873418
201 RGT 0.525253 0.958904
202 OVE 0.52439 0.905405
203 S4M 0.52381 0.666667
204 7DT 0.522727 0.985714
205 GDP 0.522222 0.92
206 DDS 0.522222 0.878378
207 AVV 0.521277 0.896104
208 NDE 0.521008 0.932432
209 7MC 0.518868 0.841463
210 DSH 0.518072 0.725
211 MAO 0.517647 0.759036
212 NSS 0.515789 0.8
213 DSZ 0.515789 0.8
214 LSS 0.515789 0.761364
215 P5A 0.515464 0.744444
216 DZD 0.513514 0.884615
217 NVA LMS 0.510417 0.752809
218 9K8 0.510204 0.714286
219 12D 0.509615 0.785714
220 M24 0.508772 0.85
221 YLY 0.508772 0.809524
222 P1H 0.508333 0.851852
223 5AD 0.506849 0.746479
224 GJV 0.505882 0.75
225 LEU LMS 0.505155 0.752809
226 AMP NAD 0.504505 0.905405
227 4TA 0.504505 0.807229
228 G A A A 0.504505 0.871795
229 NAJ PZO 0.504425 0.848101
230 GSU 0.5 0.77907
231 128 0.5 0.776471
232 KAA 0.5 0.752809
233 71V 0.5 0.907895
234 A3G 0.5 0.8
235 NDC 0.5 0.871795
236 7D7 0.5 0.743243
237 N0B 0.495726 0.819277
238 NJP 0.495495 0.945946
239 ODP 0.495495 0.909091
240 2SA 0.494624 0.932432
241 6C6 0.494505 0.881579
242 SFG 0.494382 0.75
243 0WD 0.491071 0.921053
244 YSA 0.490196 0.77907
245 PO4 PO4 A A A A PO4 0.489796 0.902778
246 SAM 0.48913 0.690476
247 6IA 0.48913 0.8375
248 A7D 0.488636 0.776316
249 6FA 0.488 0.841463
250 FB0 0.487805 0.804598
251 NAJ PYZ 0.487179 0.807229
252 A5D 0.483516 0.786667
253 IDP 0.483516 0.918919
254 SA8 0.483516 0.707317
255 PGS 0.483146 0.883117
256 MHZ 0.483146 0.697674
257 DA 0.482353 0.878378
258 D5M 0.482353 0.878378
259 NEC 0.482353 0.746667
260 NIA 0.481928 0.822785
261 Y3J 0.480519 0.726027
262 8PZ 0.480392 0.8
263 FAD 0.480315 0.851852
264 FAS 0.480315 0.851852
265 FDA 0.48 0.833333
266 N6P 0.479592 0.915493
267 GGZ 0.479167 0.825
268 U A 0.478261 0.907895
269 SAH 0.478261 0.74359
270 SAI 0.478261 0.734177
271 A G 0.477876 0.883117
272 NPW 0.477477 0.886076
273 NDP 0.477477 0.921053
274 AAM 0.476744 0.971429
275 C2R 0.47561 0.90411
276 AMZ 0.47561 0.916667
277 A A A 0.474747 0.905405
278 GTP 0.473684 0.92
279 U A G G 0.473684 0.883117
280 SMM 0.473684 0.686047
281 NZQ 0.473214 0.909091
282 TXP 0.473214 0.921053
283 A3S 0.47191 0.810811
284 SFD 0.46875 0.734043
285 AIR 0.468354 0.901408
286 AAT 0.468085 0.707317
287 EEM 0.468085 0.690476
288 J7V 0.466667 0.833333
289 Z5A 0.466667 0.77907
290 7C5 0.466667 0.818182
291 62F 0.465649 0.8625
292 HDV 0.463158 0.893333
293 FAY 0.462121 0.8625
294 A3T 0.461538 0.821918
295 ETB 0.461538 0.833333
296 DCA 0.461538 0.823529
297 A6D 0.46 0.722892
298 A U 0.459459 0.87013
299 GEK 0.459184 0.7375
300 6K6 0.459184 0.930556
301 RFL 0.458647 0.821429
302 NAP 0.458333 0.945205
303 S7M 0.458333 0.690476
304 4YB 0.457944 0.761364
305 WSA 0.454545 0.788235
306 TAP 0.454545 0.907895
307 FNK 0.454545 0.804598
308 COA 0.453782 0.823529
309 0T1 0.453782 0.823529
310 101 0.453488 0.878378
311 XNP 0.452174 0.873418
312 NA0 0.45082 0.932432
313 7RP 0.448276 0.928571
314 GP3 0.446809 0.921053
315 TM1 0.446602 0.77381
316 APU 0.446429 0.894737
317 PUA 0.445378 0.884615
318 V1N 0.443396 0.917808
319 7RA 0.443182 0.957747
320 COS 0.442623 0.804598
321 AMX 0.442623 0.833333
322 30N 0.442623 0.752688
323 CAO 0.442623 0.795455
324 QQY 0.44186 0.815789
325 ACK 0.44186 0.861111
326 649 0.441441 0.744444
327 0UM 0.44 0.698795
328 NHD 0.439655 0.905405
329 CMX 0.439024 0.823529
330 SCO 0.439024 0.823529
331 GCP 0.438776 0.896104
332 8BR 0.438202 0.906667
333 GNH 0.4375 0.907895
334 8Q2 0.4375 0.772727
335 3AD 0.4375 0.805556
336 NVA 2AD 0.43617 0.759494
337 62X 0.435644 0.666667
338 FCX 0.435484 0.795455
339 ACO 0.435484 0.795455
340 FAM 0.435484 0.804598
341 9JJ 0.434783 0.8625
342 GNP 0.434343 0.896104
343 9GM 0.434343 0.896104
344 NMX 0.433071 0.76087
345 MGP 0.43299 0.884615
346 26A 0.432099 0.763158
347 HAX 0.432 0.804598
348 K15 0.431373 0.682353
349 DG1 0.430894 0.921053
350 1DG 0.430894 0.921053
351 QQX 0.430233 0.805195
352 2VA 0.430108 0.8
353 S8M 0.43 0.759494
354 2MC 0.429688 0.769231
355 6G0 0.428571 0.884615
356 P5F 0.428571 0.823529
357 FYN 0.428571 0.823529
358 3KK 0.428571 0.804598
359 A C A C 0.428571 0.848101
360 7L1 0.427419 0.795455
361 FAI 0.426966 0.916667
362 RMB 0.426966 0.873239
363 AS 0.426966 0.833333
364 1RB 0.425287 0.885714
365 CA6 0.425197 0.729167
366 SOP 0.425197 0.804598
367 OXK 0.425197 0.804598
368 MCD 0.425197 0.804598
369 COK 0.425197 0.804598
370 G1R 0.424242 0.907895
371 SXZ 0.423077 0.710843
372 CC5 0.423077 0.816901
373 F2N 0.422535 0.813953
374 EO7 0.422222 0.788235
375 ANZ 0.422018 0.8
376 1VU 0.421875 0.795455
377 CMC 0.421875 0.804598
378 CO6 0.421875 0.804598
379 ZDA 0.421053 0.864865
380 GKE 0.420561 0.884615
381 GDC 0.420561 0.884615
382 GDD 0.420561 0.884615
383 NFD 0.420168 0.883117
384 GSP 0.42 0.873418
385 D3Y 0.42 0.789474
386 MC4 0.419847 0.76087
387 3D1 0.419753 0.773333
388 3L1 0.419753 0.773333
389 FA9 0.41958 0.864198
390 5GP 0.419355 0.906667
391 G 0.419355 0.906667
392 KB1 0.419048 0.698795
393 CAJ 0.418605 0.804598
394 SCD 0.418605 0.823529
395 CMP 0.417582 0.901408
396 2BA 0.417582 0.915493
397 SO8 0.416667 0.789474
398 VRT 0.416667 0.769231
399 N01 0.416667 0.905405
400 IVC 0.415385 0.813953
401 1HE 0.415385 0.786517
402 A1S 0.415385 0.804598
403 BCO 0.415385 0.804598
404 3HC 0.415385 0.813953
405 MLC 0.415385 0.804598
406 NMN AMP PO4 0.415254 0.87013
407 2FA 0.414634 0.813333
408 MGO 0.414141 0.860759
409 3NZ 0.413462 0.782051
410 COO 0.412214 0.804598
411 MCA 0.412214 0.795455
412 YE1 0.412214 0.813953
413 CAA 0.412214 0.813953
414 GAV 0.411765 0.884615
415 PRT 0.411215 0.931507
416 JLN 0.411111 0.890411
417 P2P 0.411111 0.902778
418 ZZB 0.410256 0.77381
419 SP1 0.409091 0.842105
420 RP1 0.409091 0.842105
421 2CP 0.409091 0.795455
422 SCA 0.409091 0.804598
423 103 0.409091 0.837838
424 PAX 0.408 0.829268
425 FAD NBT 0.407143 0.75
426 COW 0.406015 0.795455
427 3CP 0.406015 0.804598
428 IRC 0.406015 0.813953
429 BYC 0.406015 0.804598
430 CA8 0.406015 0.729167
431 1GZ 0.406015 0.795455
432 COF 0.406015 0.786517
433 HGG 0.406015 0.804598
434 2KQ 0.406015 0.786517
435 G2P 0.405941 0.884615
436 SLU 0.404959 0.770115
437 U A C C 0.404959 0.858974
438 RBZ 0.404494 0.849315
439 1CZ 0.404412 0.795455
440 FAQ 0.402985 0.804598
441 BCA 0.402985 0.795455
442 4CA 0.402985 0.795455
443 MTP 0.402439 0.730769
444 8OD 0.402062 0.945205
445 CO7 0.401515 0.804598
446 GRA 0.4 0.804598
447 G2R 0.4 0.884615
448 ENQ 0.4 0.916667
449 CNV FAD 0.4 0.8
450 GMV 0.4 0.896104
451 HXC 0.4 0.786517
452 HF7 0.4 0.893333
Ligand no: 2; Ligand: ARG; Similar ligands found: 42
No: Ligand ECFP6 Tc MDL keys Tc
1 ARG 1 1
2 DAR 1 1
3 CIR 0.735294 0.763158
4 AAR 0.705882 0.783784
5 ILO 0.615385 0.783784
6 3AR 0.595238 0.891892
7 4JK 0.585366 0.789474
8 NMM 0.585366 0.888889
9 VUR 0.585366 0.810811
10 HAR 0.585366 0.780488
11 VIO 0.581395 0.769231
12 WT2 0.571429 0.805556
13 DA2 0.55814 0.744186
14 2MR 0.545455 0.864865
15 2YH 0.545455 0.65
16 3KJ 0.545455 0.680851
17 1KJ 0.533333 0.744186
18 JM2 0.533333 0.731707
19 NRG 0.521739 0.622642
20 RPI 0.521739 0.64
21 2YJ 0.521739 0.619048
22 API 0.515152 0.611111
23 LN6 0.510638 0.725
24 HRG 0.5 0.941176
25 JM7 0.5 0.731707
26 2KJ 0.489796 0.727273
27 D20 0.489796 0.744186
28 AS1 0.489796 0.8
29 ORN 0.472222 0.757576
30 JM8 0.470588 0.714286
31 JM6 0.470588 0.697674
32 JM4 0.470588 0.697674
33 LYS ARG LYS ARG LYS ARG LYS ARG 0.463415 0.848485
34 MLZ 0.463415 0.65
35 JM5 0.461538 0.714286
36 DLY 0.447368 0.735294
37 DAB 0.441176 0.685714
38 LYS 0.435897 0.764706
39 0TF 0.428571 0.619048
40 2YG 0.42 0.619048
41 PG3 0.416667 0.756757
42 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 with APoc: 218
This union binding pocket(no: 1) in the query (biounit: 1m15.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1A78 TDG None
2 4BTV RB3 1.16279
3 4LIT AKG 1.40056
4 5J75 6GQ 1.51515
5 4FF8 14S 1.54799
6 2PNC CLU 1.68067
7 6F6D AKG 1.68067
8 2QHS OCA 1.68776
9 5Y4R C2E 1.70068
10 4HIA FMN 1.70455
11 5H2U 1N1 1.87266
12 3VKX T3 1.91571
13 4RYV ZEA 1.93548
14 5Z46 8XL 1.94175
15 5KJW 53C 1.96078
16 4FFG 0U8 1.96078
17 5YJS SAL 1.96078
18 3GD9 GLC BGC BGC BGC 1.96078
19 4YRI 4JH 1.96078
20 4XWM CBK 1.96078
21 4JX1 CAH 1.96078
22 4ZTD ALA GLY ALA GLY ALA 1.97628
23 5OCM 9RH 2.06186
24 3QPB URA 2.12766
25 3VY6 BGC BGC 2.12766
26 1LSH PLD 2.19436
27 3T4L ZEA 2.22222
28 2W8Q SIN 2.2409
29 5TSH ANP 2.2409
30 5X7Q ACR 2.2409
31 2QK4 ATP 2.2409
32 3ANY 2A3 2.28137
33 4O9S 2RY 2.32558
34 2VDF OCT 2.37154
35 4XPQ FUL 2.52101
36 5W75 SUC 2.52101
37 5LUN OGA 2.55682
38 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 2.67857
39 1N9L FMN 2.75229
40 5KEW 6SB 2.77778
41 5T8U LPA 2.77778
42 3CBC DBS 2.80112
43 5G48 1FL 2.80112
44 1C1L GAL BGC 2.91971
45 1F5F DHT 2.92683
46 6CC0 EWM 2.95359
47 4KBA 1QM 3.02115
48 5W4W 9WG 3.02115
49 3KYF 5GP 5GP 3.0303
50 1W8S FBP 3.04183
51 4XCB AKG 3.06513
52 1RYD GLC 3.08123
53 3ZJX BOG 3.11419
54 1WW5 SGA BGC 3.125
55 5DYO FLU 3.30189
56 6B2W AG2 3.3033
57 5TQZ GLC 3.33333
58 1OF4 BMA BMA BMA BMA BMA 3.35196
59 1GPM AMP 3.36134
60 1OFL NGK GCD 3.36134
61 5LA1 XYP 3.36134
62 4U98 ACP 3.36134
63 4YBN FAD 3.57143
64 5NLD LBT 3.59712
65 5EJL C2E 3.62903
66 1ELI PYC 3.64146
67 2Z5Y HRM 3.64146
68 1JAC AMG 3.7594
69 1WS4 AMG 3.7594
70 1WS5 MMA 3.7594
71 1KUJ MMA 3.7594
72 1UGY GLA BGC 3.7594
73 1UGW GAL 3.7594
74 4AKB GAL 3.7594
75 3QRC SCR 3.82166
76 2F7A BEZ 3.87931
77 4Y24 TD2 3.8961
78 1KGI T4A 3.93701
79 6FA4 D1W 4.04624
80 4RD0 GDP 4.20168
81 5HV7 RBL 4.20168
82 2WKQ FMN 4.21687
83 3P7N FMN 4.26357
84 3I8T LBT 4.26829
85 5H9Y BGC BGC BGC BGC 4.27928
86 3DOO SKM 4.33213
87 3M3E GAL A2G NPO 4.34783
88 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 4.34783
89 4FK7 P34 4.36681
90 5D9G GLU ASN LEU TYR PHE GLN 4.47154
91 3OYW TDG 4.47761
92 1GZW GAL BGC 4.47761
93 1W6O LAT 4.47761
94 3ZXE PGZ 4.51128
95 5H9Q TD2 4.51613
96 1GUI BGC BGC BGC BGC BGC BGC 4.51613
97 2RDE C2E 4.78088
98 1VKF CIT 4.78723
99 5D3X 4IP 4.79042
100 6GBV FMN 4.79452
101 2G30 ALA ALA PHE 5.03876
102 5L2R MLA 5.04202
103 3E85 BSU 5.06329
104 4ITH RCM 5.10204
105 1F9V ADP 5.18732
106 1GZF NIR 5.21327
107 1MFI FHC 5.26316
108 1ZNY GDP 5.31401
109 2Z3U CRR 5.32213
110 3NZ1 3NY 5.36398
111 3WV6 GAL BGC 5.40541
112 3WV6 GAL GLC 5.40541
113 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 5.42986
114 2ET1 GLV 5.47264
115 2AGC DAO 5.55556
116 4K55 H6P 5.64516
117 4R38 RBF 5.71429
118 5OF1 SAL 5.71429
119 5VNF VAL THR SER VAL VAL 5.73248
120 5HA0 LTD 5.76923
121 4IPM TCB 5.88235
122 6GNO XDI 5.92593
123 5TVF CGQ 5.96491
124 2P7Q GG6 6.01504
125 4EES FMN 6.08696
126 3CM2 X23 6.15385
127 4YZ5 SLT 6.16247
128 4QDC ASD 6.16247
129 6DZN AE3 6.19469
130 5NCF 8T5 6.19469
131 3SAO DBH 6.25
132 3T50 FMN 6.25
133 1XNK XS2 6.63265
134 2W5P CL8 6.71141
135 1SZ0 M6P 6.72269
136 4LOO SB4 6.72269
137 1XK5 TPG 6.86275
138 1MAI I3P 6.87023
139 5HWV MBN 6.92308
140 2Z6D FMN 6.92308
141 5MRH Q9Z 7.0028
142 2QL9 CIT 7.2165
143 4MOB ADP 7.22892
144 5T96 79J 7.30994
145 1ULE GLA GAL NAG 7.33333
146 3H0L ADP 7.44681
147 3VV1 GAL FUC 7.5
148 1F52 ADP 7.56302
149 5O9W AKG 7.56302
150 2PR5 FMN 7.57576
151 2YMZ LAT 7.69231
152 3OQJ 3CX 7.7821
153 5NFB 8VT 7.95455
154 4IAW LIZ 7.97872
155 2ZHL NAG GAL GAL NAG 8.10811
156 2NZ2 CIR 8.12325
157 1NKI PPF 8.14815
158 2D6M LBT 8.1761
159 3WUC GLC GAL 8.75912
160 5H9P TD2 8.86076
161 6EWZ APC 8.86076
162 3LTW HLZ 8.92857
163 3GD8 GOL 8.96861
164 1WUB OTP 8.98876
165 2YKL NLD 9.25926
166 5GLT BGC GAL NAG GAL 9.50704
167 5OCG 9R5 9.52381
168 5TBM 79A 9.56522
169 2V0U FMN 9.58904
170 5EFW FMN 9.65517
171 5DJU FMN 9.65517
172 5YRI GLC GLC 9.85915
173 4K30 NLG 10
174 2TPI ILE VAL 10.0437
175 2XG5 EC5 10.0917
176 2XG5 EC2 10.0917
177 5ODY 9SK 10.1449
178 5SVV FMN 10.219
179 2AG4 LP3 10.3659
180 2AG4 OLA 10.3659
181 5AIG VPR 10.4
182 5NXX 3Q7 10.4478
183 1SLT NDG GAL 10.4478
184 1XXR MAN 10.559
185 1UYY BGC BGC 10.687
186 4RT1 C2E 10.7143
187 4C2W ANP 10.7527
188 1IS3 LAT 11.1111
189 6D61 4AA 11.2821
190 4M1U A2G MBG 11.4286
191 3NV3 GAL NAG MAN 11.5942
192 6GG9 FMN 11.7284
193 3WG3 A2G GAL NAG FUC 11.7978
194 2CM4 RCL 12.6667
195 3HCH RSM 13.0137
196 1SDW IYT 13.3758
197 1BC5 ACE ASN TRP GLU THR PHE 13.3829
198 1GT4 UNA 13.8365
199 5F6U 5VK 14.0127
200 6E48 4OA 14.1593
201 4XMF HSM 14.6739
202 2GUD MAN 14.7541
203 2GUC MAN 14.7541
204 2HYQ MAN MAN 14.7541
205 2HYR BGC GLC 14.7541
206 2NU5 NAG 14.7541
207 2NUO BGC 14.7541
208 5DKK FMN 15.1724
209 2Z6C FMN 15.5039
210 1JOT GAL A2G 18.0451
211 5BU3 4W9 18.4783
212 1QKQ MAN 19.0141
213 2PFC PLM 19.1257
214 3IWD M2T 20.9677
215 1Y7P RIP 21.9731
216 4WUJ FMN 23.8095
217 5DJT FMN 29.5082
218 2FKA BEF 33.3333
Pocket No.: 2; Query (leader) PDB : 1M15; Ligand: ARG; Similar sites found with APoc: 218
This union binding pocket(no: 2) in the query (biounit: 1m15.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 1A78 TDG None
2 4BTV RB3 1.16279
3 4LIT AKG 1.40056
4 5J75 6GQ 1.51515
5 4FF8 14S 1.54799
6 2PNC CLU 1.68067
7 6F6D AKG 1.68067
8 2QHS OCA 1.68776
9 5Y4R C2E 1.70068
10 4HIA FMN 1.70455
11 5H2U 1N1 1.87266
12 3VKX T3 1.91571
13 4RYV ZEA 1.93548
14 5Z46 8XL 1.94175
15 5KJW 53C 1.96078
16 4FFG 0U8 1.96078
17 5YJS SAL 1.96078
18 3GD9 GLC BGC BGC BGC 1.96078
19 4YRI 4JH 1.96078
20 4XWM CBK 1.96078
21 4JX1 CAH 1.96078
22 4ZTD ALA GLY ALA GLY ALA 1.97628
23 5OCM 9RH 2.06186
24 3QPB URA 2.12766
25 3VY6 BGC BGC 2.12766
26 1LSH PLD 2.19436
27 3T4L ZEA 2.22222
28 2W8Q SIN 2.2409
29 5TSH ANP 2.2409
30 5X7Q ACR 2.2409
31 2QK4 ATP 2.2409
32 3ANY 2A3 2.28137
33 4O9S 2RY 2.32558
34 2VDF OCT 2.37154
35 4XPQ FUL 2.52101
36 5W75 SUC 2.52101
37 5LUN OGA 2.55682
38 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 2.67857
39 1N9L FMN 2.75229
40 5KEW 6SB 2.77778
41 5T8U LPA 2.77778
42 3CBC DBS 2.80112
43 5G48 1FL 2.80112
44 1C1L GAL BGC 2.91971
45 1F5F DHT 2.92683
46 6CC0 EWM 2.95359
47 4KBA 1QM 3.02115
48 5W4W 9WG 3.02115
49 3KYF 5GP 5GP 3.0303
50 1W8S FBP 3.04183
51 4XCB AKG 3.06513
52 1RYD GLC 3.08123
53 3ZJX BOG 3.11419
54 1WW5 SGA BGC 3.125
55 5DYO FLU 3.30189
56 6B2W AG2 3.3033
57 5TQZ GLC 3.33333
58 1OF4 BMA BMA BMA BMA BMA 3.35196
59 1GPM AMP 3.36134
60 1OFL NGK GCD 3.36134
61 5LA1 XYP 3.36134
62 4U98 ACP 3.36134
63 4YBN FAD 3.57143
64 5NLD LBT 3.59712
65 5EJL C2E 3.62903
66 1ELI PYC 3.64146
67 2Z5Y HRM 3.64146
68 1JAC AMG 3.7594
69 1WS4 AMG 3.7594
70 1WS5 MMA 3.7594
71 1KUJ MMA 3.7594
72 1UGY GLA BGC 3.7594
73 1UGW GAL 3.7594
74 4AKB GAL 3.7594
75 3QRC SCR 3.82166
76 2F7A BEZ 3.87931
77 4Y24 TD2 3.8961
78 1KGI T4A 3.93701
79 6FA4 D1W 4.04624
80 4RD0 GDP 4.20168
81 5HV7 RBL 4.20168
82 2WKQ FMN 4.21687
83 3P7N FMN 4.26357
84 3I8T LBT 4.26829
85 5H9Y BGC BGC BGC BGC 4.27928
86 3DOO SKM 4.33213
87 3M3E GAL A2G NPO 4.34783
88 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 4.34783
89 4FK7 P34 4.36681
90 5D9G GLU ASN LEU TYR PHE GLN 4.47154
91 3OYW TDG 4.47761
92 1GZW GAL BGC 4.47761
93 1W6O LAT 4.47761
94 3ZXE PGZ 4.51128
95 5H9Q TD2 4.51613
96 1GUI BGC BGC BGC BGC BGC BGC 4.51613
97 2RDE C2E 4.78088
98 1VKF CIT 4.78723
99 5D3X 4IP 4.79042
100 6GBV FMN 4.79452
101 2G30 ALA ALA PHE 5.03876
102 5L2R MLA 5.04202
103 3E85 BSU 5.06329
104 4ITH RCM 5.10204
105 1F9V ADP 5.18732
106 1GZF NIR 5.21327
107 1MFI FHC 5.26316
108 1ZNY GDP 5.31401
109 2Z3U CRR 5.32213
110 3NZ1 3NY 5.36398
111 3WV6 GAL BGC 5.40541
112 3WV6 GAL GLC 5.40541
113 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 5.42986
114 2ET1 GLV 5.47264
115 2AGC DAO 5.55556
116 4K55 H6P 5.64516
117 4R38 RBF 5.71429
118 5OF1 SAL 5.71429
119 5VNF VAL THR SER VAL VAL 5.73248
120 5HA0 LTD 5.76923
121 4IPM TCB 5.88235
122 6GNO XDI 5.92593
123 5TVF CGQ 5.96491
124 2P7Q GG6 6.01504
125 4EES FMN 6.08696
126 3CM2 X23 6.15385
127 4YZ5 SLT 6.16247
128 4QDC ASD 6.16247
129 6DZN AE3 6.19469
130 5NCF 8T5 6.19469
131 3SAO DBH 6.25
132 3T50 FMN 6.25
133 1XNK XS2 6.63265
134 2W5P CL8 6.71141
135 1SZ0 M6P 6.72269
136 4LOO SB4 6.72269
137 1XK5 TPG 6.86275
138 1MAI I3P 6.87023
139 5HWV MBN 6.92308
140 2Z6D FMN 6.92308
141 5MRH Q9Z 7.0028
142 2QL9 CIT 7.2165
143 4MOB ADP 7.22892
144 5T96 79J 7.30994
145 1ULE GLA GAL NAG 7.33333
146 3H0L ADP 7.44681
147 3VV1 GAL FUC 7.5
148 1F52 ADP 7.56302
149 5O9W AKG 7.56302
150 2PR5 FMN 7.57576
151 2YMZ LAT 7.69231
152 3OQJ 3CX 7.7821
153 5NFB 8VT 7.95455
154 4IAW LIZ 7.97872
155 2ZHL NAG GAL GAL NAG 8.10811
156 2NZ2 CIR 8.12325
157 1NKI PPF 8.14815
158 2D6M LBT 8.1761
159 3WUC GLC GAL 8.75912
160 5H9P TD2 8.86076
161 6EWZ APC 8.86076
162 3LTW HLZ 8.92857
163 3GD8 GOL 8.96861
164 1WUB OTP 8.98876
165 2YKL NLD 9.25926
166 5GLT BGC GAL NAG GAL 9.50704
167 5OCG 9R5 9.52381
168 5TBM 79A 9.56522
169 2V0U FMN 9.58904
170 5EFW FMN 9.65517
171 5DJU FMN 9.65517
172 5YRI GLC GLC 9.85915
173 4K30 NLG 10
174 2TPI ILE VAL 10.0437
175 2XG5 EC5 10.0917
176 2XG5 EC2 10.0917
177 5ODY 9SK 10.1449
178 5SVV FMN 10.219
179 2AG4 LP3 10.3659
180 2AG4 OLA 10.3659
181 5AIG VPR 10.4
182 5NXX 3Q7 10.4478
183 1SLT NDG GAL 10.4478
184 1XXR MAN 10.559
185 1UYY BGC BGC 10.687
186 4RT1 C2E 10.7143
187 4C2W ANP 10.7527
188 1IS3 LAT 11.1111
189 6D61 4AA 11.2821
190 4M1U A2G MBG 11.4286
191 3NV3 GAL NAG MAN 11.5942
192 6GG9 FMN 11.7284
193 3WG3 A2G GAL NAG FUC 11.7978
194 2CM4 RCL 12.6667
195 3HCH RSM 13.0137
196 1SDW IYT 13.3758
197 1BC5 ACE ASN TRP GLU THR PHE 13.3829
198 1GT4 UNA 13.8365
199 5F6U 5VK 14.0127
200 6E48 4OA 14.1593
201 4XMF HSM 14.6739
202 2GUD MAN 14.7541
203 2GUC MAN 14.7541
204 2HYQ MAN MAN 14.7541
205 2HYR BGC GLC 14.7541
206 2NU5 NAG 14.7541
207 2NUO BGC 14.7541
208 5DKK FMN 15.1724
209 2Z6C FMN 15.5039
210 1JOT GAL A2G 18.0451
211 5BU3 4W9 18.4783
212 1QKQ MAN 19.0141
213 2PFC PLM 19.1257
214 3IWD M2T 20.9677
215 1Y7P RIP 21.9731
216 4WUJ FMN 23.8095
217 5DJT FMN 29.5082
218 2FKA BEF 33.3333
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