Receptor
PDB id Resolution Class Description Source Keywords
4BG4 1.6 Å EC: 2.7.3.3 CRYSTAL STRUCTURE OF LITOPENAEUS VANNAMEI ARGININE KINASE IN TERNARY COMPLEX WITH ARGININE, ADP-MG AND NO3 LITOPENAEUS VANNAMEI TRANSFERASE BINARY COMPLEX
Ref.: CRYSTAL STRUCTURE OF SHRIMP ARGININE KINASE IN BINA COMPLEX WITH ARGININE-A MOLECULAR VIEW OF THE PHOSP PRECURSOR BINDING TO THE ENZYME. J.BIOENERG.BIOMEMBR. V. 45 511 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP B:400;
A:400;
Valid;
Valid;
none;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
ARG A:403;
B:403;
Valid;
Valid;
none;
none;
submit data
175.209 C6 H15 N4 O2 C(C[C...
BME A:409;
B:406;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S C(CS)...
NO3 B:405;
A:405;
Invalid;
Invalid;
none;
none;
submit data
62.005 N O3 [N+](...
MG A:406;
B:407;
Invalid;
Invalid;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4BG4 1.6 Å EC: 2.7.3.3 CRYSTAL STRUCTURE OF LITOPENAEUS VANNAMEI ARGININE KINASE IN TERNARY COMPLEX WITH ARGININE, ADP-MG AND NO3 LITOPENAEUS VANNAMEI TRANSFERASE BINARY COMPLEX
Ref.: CRYSTAL STRUCTURE OF SHRIMP ARGININE KINASE IN BINA COMPLEX WITH ARGININE-A MOLECULAR VIEW OF THE PHOSP PRECURSOR BINDING TO THE ENZYME. J.BIOENERG.BIOMEMBR. V. 45 511 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 4BG4 - ARG C6 H15 N4 O2 C(C[C@@H](....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4BG4 - ARG C6 H15 N4 O2 C(C[C@@H](....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4BG4 - ARG C6 H15 N4 O2 C(C[C@@H](....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADP; Similar ligands found: 435
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 A2D 0.895522 0.971831
4 AQP 0.887324 1
5 5FA 0.887324 1
6 AP5 0.884058 0.971831
7 B4P 0.884058 0.971831
8 BA3 0.869565 0.971831
9 AN2 0.84507 0.985915
10 M33 0.833333 0.958333
11 ACQ 0.826667 0.972222
12 A 0.823529 0.971429
13 AMP 0.823529 0.971429
14 ACP 0.821918 0.972222
15 AR6 0.810811 0.971831
16 APR 0.810811 0.971831
17 ANP 0.802632 0.972222
18 AD9 0.8 0.972222
19 AGS 0.8 0.945946
20 SAP 0.8 0.945946
21 ADX 0.783784 0.873418
22 CA0 0.783784 0.945205
23 TAT 0.779221 0.958904
24 AMP MG 0.774648 0.891892
25 50T 0.773333 0.958333
26 ABM 0.763889 0.917808
27 APC 0.763158 0.958904
28 PRX 0.763158 0.893333
29 ATF 0.759494 0.958904
30 A22 0.753086 0.985915
31 A12 0.743243 0.958904
32 AP2 0.743243 0.958904
33 ADP MG 0.736842 0.905405
34 SRA 0.736111 0.918919
35 ADQ 0.73494 0.945205
36 25L 0.732558 0.985915
37 ADP BEF 0.727273 0.881579
38 BEF ADP 0.727273 0.881579
39 5AL 0.725 0.931507
40 2A5 0.717949 0.918919
41 A1R 0.714286 0.907895
42 AU1 0.714286 0.972222
43 ADP PO3 0.708861 0.943662
44 PAP 0.708861 0.985714
45 ATR 0.708861 0.971429
46 SRP 0.707317 0.906667
47 7D3 0.706667 0.905405
48 25A 0.702381 0.971831
49 ATP MG 0.7 0.905405
50 OAD 0.697674 0.945205
51 RBY 0.6875 0.932432
52 ADV 0.6875 0.932432
53 00A 0.686047 0.883117
54 5SV 0.682353 0.848101
55 8QN 0.682353 0.931507
56 OOB 0.682353 0.931507
57 3OD 0.681818 0.945205
58 BIS 0.681818 0.933333
59 ADP ALF 0.674699 0.87013
60 ALF ADP 0.674699 0.87013
61 AMO 0.674419 0.932432
62 4AD 0.674419 0.92
63 PAJ 0.674419 0.884615
64 GAP 0.670732 0.893333
65 MAP 0.670588 0.945946
66 DLL 0.666667 0.931507
67 ANP MG 0.666667 0.894737
68 VO4 ADP 0.666667 0.931507
69 AHX 0.666667 0.896104
70 ADP VO4 0.666667 0.931507
71 PTJ 0.662921 0.896104
72 3UK 0.659091 0.918919
73 SON 0.658228 0.932432
74 LAD 0.651685 0.860759
75 WAQ 0.651685 0.883117
76 PR8 0.651685 0.85
77 ITT 0.65 0.943662
78 7D4 0.65 0.905405
79 G5P 0.648936 0.921053
80 RAB 0.647059 0.84507
81 ADN 0.647059 0.84507
82 XYA 0.647059 0.84507
83 TXA 0.644444 0.932432
84 1ZZ 0.644444 0.839506
85 ME8 0.644444 0.839506
86 NB8 0.644444 0.896104
87 FYA 0.644444 0.905405
88 6AD 0.642857 0.909091
89 ADP BMA 0.640449 0.918919
90 G3A 0.638298 0.921053
91 DAL AMP 0.632184 0.905405
92 AFH 0.631579 0.884615
93 9SN 0.630435 0.871795
94 GTA 0.625 0.886076
95 YAP 0.623656 0.894737
96 FA5 0.623656 0.906667
97 UP5 0.622449 0.92
98 XAH 0.617021 0.839506
99 AV2 0.616279 0.917808
100 AOC 0.615385 0.821918
101 48N 0.612245 0.896104
102 4UV 0.610526 0.894737
103 TXD 0.606061 0.907895
104 DND 0.606061 0.932432
105 NAX 0.606061 0.873418
106 NXX 0.606061 0.932432
107 NAI 0.606061 0.907895
108 6V0 0.606061 0.896104
109 5N5 0.605634 0.819444
110 5AS 0.604938 0.77907
111 A4P 0.60396 0.843373
112 DAT 0.60241 0.905405
113 A2R 0.602273 0.985915
114 TXE 0.6 0.907895
115 OMR 0.6 0.851852
116 4UU 0.597938 0.894737
117 A A 0.597826 0.944444
118 A4D 0.597222 0.819444
119 5CD 0.597222 0.805556
120 AP0 0.594059 0.896104
121 4TC 0.594059 0.896104
122 A3P 0.592593 0.971429
123 139 0.592233 0.873418
124 T5A 0.592233 0.841463
125 7D5 0.592105 0.878378
126 ATP A A A 0.589474 0.930556
127 LAQ 0.585859 0.839506
128 MYR AMP 0.585106 0.817073
129 YLP 0.58 0.819277
130 UPA 0.578431 0.907895
131 7DD 0.578313 0.985714
132 ADJ 0.576923 0.851852
133 3AM 0.576923 0.929577
134 COD 0.575472 0.811765
135 NAD 0.575472 0.931507
136 3AT 0.574713 0.971831
137 JB6 0.574468 0.883117
138 4UW 0.574257 0.860759
139 EP4 0.573333 0.753247
140 A2P 0.573171 0.957143
141 CNA 0.571429 0.932432
142 TYM 0.568627 0.906667
143 PPS 0.568182 0.873418
144 TYR AMP 0.56701 0.881579
145 DTA 0.565789 0.786667
146 M2T 0.565789 0.734177
147 AR6 AR6 0.565657 0.917808
148 A3D 0.564815 0.918919
149 3DH 0.564103 0.773333
150 G5A 0.563218 0.77907
151 YLB 0.563107 0.819277
152 YLC 0.563107 0.839506
153 AMP DBH 0.561224 0.893333
154 MTA 0.558442 0.773333
155 DTP 0.556818 0.905405
156 AHZ 0.554455 0.817073
157 NA7 0.553191 0.958904
158 IOT 0.552381 0.831325
159 7MD 0.55 0.8625
160 ZAS 0.55 0.766234
161 IMO 0.548781 0.929577
162 YLA 0.54717 0.819277
163 NAE 0.544643 0.894737
164 TAD 0.544554 0.884615
165 A5A 0.544444 0.807229
166 2AM 0.544304 0.943662
167 TSB 0.543478 0.819277
168 6RE 0.54321 0.759494
169 AYB 0.542056 0.809524
170 NAQ 0.539823 0.871795
171 V3L 0.539326 0.971831
172 ARG AMP 0.539216 0.829268
173 AF3 ADP 3PG 0.538462 0.8375
174 SSA 0.538462 0.8
175 LA8 ALF 3PG 0.538462 0.8375
176 ALF ADP 3PG 0.538462 0.8375
177 ZID 0.535088 0.918919
178 LPA AMP 0.533981 0.817073
179 54H 0.532609 0.788235
180 52H 0.532609 0.77907
181 VMS 0.532609 0.788235
182 BTX 0.53211 0.841463
183 J7C 0.53012 0.769231
184 A3N 0.53012 0.786667
185 5X8 0.528736 0.763158
186 BT5 0.527273 0.831325
187 5CA 0.526882 0.8
188 53H 0.526882 0.77907
189 ARU 0.526316 0.860759
190 EAD 0.525862 0.873418
191 RGT 0.525253 0.958904
192 OVE 0.52439 0.905405
193 S4M 0.52381 0.666667
194 7DT 0.522727 0.985714
195 GDP 0.522222 0.92
196 DDS 0.522222 0.878378
197 AVV 0.521277 0.896104
198 NDE 0.521008 0.932432
199 7MC 0.518868 0.841463
200 DSH 0.518072 0.725
201 MAO 0.517647 0.759036
202 LSS 0.515789 0.761364
203 DSZ 0.515789 0.8
204 NSS 0.515789 0.8
205 P5A 0.515464 0.744444
206 DZD 0.513514 0.884615
207 NVA LMS 0.510417 0.761364
208 12D 0.509615 0.785714
209 NAD IBO 0.509091 0.87013
210 M24 0.508772 0.85
211 YLY 0.508772 0.809524
212 P1H 0.508333 0.851852
213 5AD 0.506849 0.746479
214 GJV 0.505882 0.75
215 LEU LMS 0.505155 0.761364
216 G A A A 0.504505 0.871795
217 4TA 0.504505 0.807229
218 NAJ PZO 0.504425 0.848101
219 KAA 0.5 0.752809
220 NDC 0.5 0.871795
221 7D7 0.5 0.743243
222 71V 0.5 0.907895
223 A3G 0.5 0.8
224 128 0.5 0.776471
225 GSU 0.5 0.77907
226 N0B 0.495726 0.819277
227 NJP 0.495495 0.945946
228 ODP 0.495495 0.909091
229 2SA 0.494624 0.932432
230 6C6 0.494505 0.881579
231 SFG 0.494382 0.75
232 0WD 0.491071 0.921053
233 YSA 0.490196 0.77907
234 PO4 PO4 A A A A PO4 0.489796 0.902778
235 6IA 0.48913 0.8375
236 SAM 0.48913 0.690476
237 A7D 0.488636 0.776316
238 6FA 0.488 0.841463
239 FB0 0.487805 0.804598
240 NAJ PYZ 0.487179 0.85
241 IDP 0.483516 0.918919
242 A5D 0.483516 0.786667
243 SA8 0.483516 0.707317
244 MHZ 0.483146 0.697674
245 PGS 0.483146 0.883117
246 D5M 0.482353 0.878378
247 DA 0.482353 0.878378
248 NEC 0.482353 0.746667
249 NIA 0.481928 0.822785
250 Y3J 0.480519 0.726027
251 FAD 0.480315 0.851852
252 FAS 0.480315 0.851852
253 FDA 0.48 0.833333
254 N6P 0.479592 0.915493
255 GGZ 0.479167 0.825
256 SAH 0.478261 0.74359
257 SAI 0.478261 0.734177
258 NPW 0.477477 0.886076
259 NDP 0.477477 0.921053
260 AAM 0.476744 0.971429
261 AMZ 0.47561 0.916667
262 C2R 0.47561 0.90411
263 A A A 0.474747 0.905405
264 GTP 0.473684 0.92
265 U A G G 0.473684 0.883117
266 SMM 0.473684 0.686047
267 TXP 0.473214 0.921053
268 NZQ 0.473214 0.909091
269 A3S 0.47191 0.810811
270 AMP NAD 0.470588 0.881579
271 SFD 0.46875 0.734043
272 AIR 0.468354 0.901408
273 AAT 0.468085 0.707317
274 EEM 0.468085 0.690476
275 Z5A 0.466667 0.77907
276 7C5 0.466667 0.818182
277 J7V 0.466667 0.833333
278 62F 0.465649 0.8625
279 FAY 0.462121 0.8625
280 ETB 0.461538 0.833333
281 DCA 0.461538 0.823529
282 A3T 0.461538 0.821918
283 A6D 0.46 0.722892
284 A U 0.459459 0.87013
285 6K6 0.459184 0.930556
286 GEK 0.459184 0.7375
287 RFL 0.458647 0.821429
288 S7M 0.458333 0.690476
289 NAP 0.458333 0.945205
290 4YB 0.457944 0.761364
291 WSA 0.454545 0.788235
292 TAP 0.454545 0.907895
293 FNK 0.454545 0.804598
294 COA 0.453782 0.823529
295 0T1 0.453782 0.823529
296 101 0.453488 0.878378
297 XNP 0.452174 0.873418
298 NA0 0.45082 0.932432
299 7RP 0.448276 0.928571
300 GP3 0.446809 0.921053
301 TM1 0.446602 0.77381
302 APU 0.446429 0.894737
303 PUA 0.445378 0.884615
304 V1N 0.443396 0.917808
305 7RA 0.443182 0.957747
306 30N 0.442623 0.752688
307 CAO 0.442623 0.795455
308 AMX 0.442623 0.833333
309 COS 0.442623 0.804598
310 ACK 0.44186 0.861111
311 QQY 0.44186 0.815789
312 649 0.441441 0.744444
313 0UM 0.44 0.698795
314 NHD 0.439655 0.905405
315 CMX 0.439024 0.823529
316 SCO 0.439024 0.823529
317 GCP 0.438776 0.896104
318 8BR 0.438202 0.906667
319 GNH 0.4375 0.907895
320 3AD 0.4375 0.805556
321 62X 0.435644 0.666667
322 ACO 0.435484 0.795455
323 FCX 0.435484 0.795455
324 FAM 0.435484 0.804598
325 GNP 0.434343 0.896104
326 NMX 0.433071 0.76087
327 MGP 0.43299 0.884615
328 PLP AAD 0.432203 0.741573
329 26A 0.432099 0.763158
330 HAX 0.432 0.804598
331 K15 0.431373 0.682353
332 DG1 0.430894 0.921053
333 1DG 0.430894 0.921053
334 QQX 0.430233 0.805195
335 2VA 0.430108 0.8
336 S8M 0.43 0.759494
337 2MC 0.429688 0.769231
338 3KK 0.428571 0.804598
339 6G0 0.428571 0.884615
340 FYN 0.428571 0.823529
341 P5F 0.428571 0.823529
342 NAD BBN 0.428571 0.841463
343 U G A 0.427481 0.839506
344 AS 0.426966 0.833333
345 FAI 0.426966 0.916667
346 RMB 0.426966 0.873239
347 1RB 0.425287 0.885714
348 MCD 0.425197 0.804598
349 OXK 0.425197 0.804598
350 COK 0.425197 0.804598
351 CA6 0.425197 0.729167
352 SOP 0.425197 0.804598
353 G1R 0.424242 0.907895
354 CC5 0.423077 0.816901
355 SXZ 0.423077 0.710843
356 F2N 0.422535 0.813953
357 NAD CJ3 0.422222 0.811765
358 ANZ 0.422018 0.8
359 CMC 0.421875 0.804598
360 CO6 0.421875 0.804598
361 1VU 0.421875 0.795455
362 ZDA 0.421053 0.864865
363 GDD 0.420561 0.884615
364 GKE 0.420561 0.884615
365 GDC 0.420561 0.884615
366 NFD 0.420168 0.883117
367 GSP 0.42 0.873418
368 D3Y 0.42 0.789474
369 MC4 0.419847 0.76087
370 3L1 0.419753 0.773333
371 3D1 0.419753 0.773333
372 FA9 0.41958 0.864198
373 5GP 0.419355 0.906667
374 G 0.419355 0.906667
375 KB1 0.419048 0.698795
376 SCD 0.418605 0.823529
377 CAJ 0.418605 0.804598
378 2BA 0.417582 0.915493
379 CMP 0.417582 0.901408
380 SO8 0.416667 0.789474
381 N01 0.416667 0.905405
382 VRT 0.416667 0.769231
383 3HC 0.415385 0.813953
384 A1S 0.415385 0.804598
385 BCO 0.415385 0.804598
386 IVC 0.415385 0.813953
387 MLC 0.415385 0.804598
388 1HE 0.415385 0.786517
389 NMN AMP PO4 0.415254 0.87013
390 2FA 0.414634 0.813333
391 MGO 0.414141 0.860759
392 3NZ 0.413462 0.782051
393 MCA 0.412214 0.795455
394 CAA 0.412214 0.813953
395 YE1 0.412214 0.813953
396 COO 0.412214 0.804598
397 GAV 0.411765 0.884615
398 P2P 0.411111 0.902778
399 JLN 0.411111 0.890411
400 ZZB 0.410256 0.77381
401 CNV FAD 0.410072 0.793103
402 SCA 0.409091 0.804598
403 RP1 0.409091 0.842105
404 103 0.409091 0.837838
405 2CP 0.409091 0.795455
406 SP1 0.409091 0.842105
407 PAX 0.408 0.829268
408 FAD NBT 0.407143 0.75
409 NVA 2AD 0.40625 0.74359
410 COW 0.406015 0.795455
411 BYC 0.406015 0.804598
412 2KQ 0.406015 0.786517
413 COF 0.406015 0.786517
414 3CP 0.406015 0.804598
415 IRC 0.406015 0.813953
416 1GZ 0.406015 0.795455
417 HGG 0.406015 0.804598
418 CA8 0.406015 0.729167
419 G2P 0.405941 0.884615
420 SLU 0.404959 0.770115
421 U A C C 0.404959 0.858974
422 RBZ 0.404494 0.849315
423 1CZ 0.404412 0.795455
424 BCA 0.402985 0.795455
425 FAQ 0.402985 0.804598
426 4CA 0.402985 0.795455
427 MTP 0.402439 0.730769
428 8OD 0.402062 0.945205
429 CO7 0.401515 0.804598
430 DAL FAD PER 0.401408 0.809524
431 G2R 0.4 0.884615
432 HXC 0.4 0.786517
433 ENQ 0.4 0.916667
434 GMV 0.4 0.896104
435 GRA 0.4 0.804598
Ligand no: 2; Ligand: ARG; Similar ligands found: 39
No: Ligand ECFP6 Tc MDL keys Tc
1 DAR 1 1
2 ARG 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 HAR 0.585366 0.780488
8 VUR 0.585366 0.810811
9 4JK 0.585366 0.789474
10 VIO 0.581395 0.769231
11 WT2 0.571429 0.805556
12 DA2 0.55814 0.744186
13 3KJ 0.545455 0.680851
14 2YH 0.545455 0.65
15 1KJ 0.533333 0.744186
16 JM2 0.533333 0.731707
17 2YJ 0.521739 0.619048
18 NRG 0.521739 0.622642
19 RPI 0.521739 0.64
20 API 0.515152 0.611111
21 LN6 0.510638 0.725
22 JM7 0.5 0.731707
23 HRG 0.5 0.941176
24 D20 0.489796 0.744186
25 AS1 0.489796 0.8
26 2KJ 0.489796 0.727273
27 ORN 0.472222 0.757576
28 JM6 0.470588 0.697674
29 JM4 0.470588 0.697674
30 JM8 0.470588 0.714286
31 MLZ 0.463415 0.65
32 JM5 0.461538 0.714286
33 DLY 0.447368 0.735294
34 DAB 0.441176 0.685714
35 LYS 0.435897 0.764706
36 0TF 0.428571 0.619048
37 2YG 0.42 0.619048
38 PG3 0.416667 0.756757
39 6CL 0.414634 0.638889
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4BG4; Ligand: ARG; Similar sites found: 84
This union binding pocket(no: 1) in the query (biounit: 4bg4.bio2) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1G2N EPH 0.01984 0.41397 None
2 1ZBQ NAD 0.02383 0.42193 0.917431
3 2DKN NAI 0.02692 0.41543 1.17647
4 2CXS F6P 0.02296 0.40814 1.40449
5 5T79 NDP 0.006379 0.44851 1.50602
6 2O2C G6Q 0.0138 0.41319 1.68539
7 4EMI FAD 0.04925 0.40735 1.68539
8 2ABJ CBC 0.02142 0.40828 1.96629
9 2WYA HMG 0.04182 0.40218 1.96629
10 3DBK RDF 0.02338 0.40262 1.99336
11 2FR1 NDP 0.02699 0.41413 2.05761
12 4JP3 CIT 0.01883 0.40141 2.09205
13 4CJX NAP 0.02537 0.40886 2.19436
14 2QZZ NAP 0.04847 0.40556 2.20126
15 4R5Z PMP 0.02637 0.40236 2.24719
16 5CEO 50D 0.02243 0.4033 2.33333
17 1XHL NDP 0.007664 0.44642 2.6936
18 1A27 EST 0.0178 0.40314 2.76817
19 4HXY NDP 0.0258 0.41715 2.80899
20 1XPM HMG 0.02906 0.40867 2.80899
21 3LL5 ADP 0.02396 0.42255 2.81124
22 3LL5 IPE 0.02195 0.42255 2.81124
23 3LL5 ATP 0.01261 0.41973 2.81124
24 1Z6Z NAP 0.02409 0.41474 2.83688
25 5L4L NAP 0.02131 0.41586 2.96053
26 1V97 MTE 0.03027 0.4214 3.08989
27 4YAG NAI 0.04142 0.41571 3.11419
28 2Q2V NAD 0.008385 0.44462 3.13725
29 2BD0 NAP 0.02525 0.41846 3.27869
30 5IXJ THR 0.0113 0.43438 3.37079
31 4LH0 GLV 0.03055 0.41165 3.37079
32 1X1T NAD 0.01529 0.43003 3.46154
33 1KPH 10A 0.02063 0.40518 3.48432
34 4O0L NDP 0.01999 0.421 3.63636
35 1RF6 S3P 0.009905 0.42978 3.65169
36 1RF6 GPJ 0.009905 0.42978 3.65169
37 4EPL JAI 0.01232 0.413 3.65169
38 4YJI TYL 0.02429 0.40176 3.65169
39 3AFN NAP 0.03497 0.40754 3.87597
40 3UYK 0CX 0.03909 0.40917 3.93258
41 3B00 16A 0.01486 0.40733 4.04412
42 5HVA DUP 0.02541 0.40477 4.28571
43 3HRD MCN 0.007448 0.44678 4.375
44 2WD7 NAP 0.03268 0.40733 4.47761
45 2P2V CSF 0.02079 0.41198 4.51389
46 2WSB NAD 0.02394 0.42834 4.72441
47 3D3W NAP 0.03383 0.41147 4.91803
48 2PQB GG9 0.007265 0.43626 5.05618
49 3ZG6 APR 0.01454 0.41651 5.06757
50 5K6A NAP 0.03158 0.40921 5.20833
51 5JDC NAP 0.03124 0.40832 5.20833
52 3BMO NAP 0.03186 0.40778 5.20833
53 4CM8 NAP 0.03553 0.40511 5.20833
54 3JQ8 NAP 0.04092 0.40254 5.20833
55 5G5G MCN 0.006659 0.4501 5.24017
56 4J56 FAD 0.03442 0.41826 5.26316
57 1WDK NAD 0.03304 0.40096 5.33708
58 5KOR GDP 0.0176 0.41335 5.61798
59 4A0S NAP 0.04666 0.40091 5.61798
60 2WTX VDO 0.0499 0.4029 5.89888
61 1N62 MCN 0.007447 0.45041 5.90278
62 4ITU 1HS 0.03655 0.41869 5.94796
63 4ITU NAI 0.02606 0.41869 5.94796
64 4O1M NAD 0.04907 0.40029 6.34921
65 2REG CHT 0.003423 0.41136 6.37584
66 2AQX ATP 0.01284 0.41598 7.26644
67 5L13 6ZE 0.02674 0.42901 7.30337
68 1F6D UDP 0.01394 0.40484 7.44681
69 2ZAT NAP 0.02748 0.4146 8.07692
70 2J4D MHF 0.01195 0.40436 8.14607
71 4XF6 INS 0.04981 0.40321 8.42491
72 4XF6 LIP 0.04981 0.40321 8.42491
73 4H8N NDP 0.04701 0.40039 8.70968
74 1E3W NAD 0.03505 0.40818 8.81226
75 2DC1 NAD 0.04386 0.40043 8.8983
76 2BKK ADP 0.01212 0.40764 9.4697
77 5EPO TUD 0.007219 0.42799 9.54198
78 2C2A ADP 0.01464 0.41143 9.68992
79 3V1Y NAD 0.03259 0.40597 9.79228
80 2XMY CDK 0.01646 0.45054 10.0671
81 2HOX P1T 0.02134 0.40894 13.764
82 1FFU CDP 0.0043 0.46607 14.1104
83 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 0.0244 0.42204 15.1042
84 2QRD ATP 0.02051 0.40484 15.4639
Pocket No.: 2; Query (leader) PDB : 4BG4; Ligand: ADP; Similar sites found: 156
This union binding pocket(no: 2) in the query (biounit: 4bg4.bio2) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4UWJ 7L5 0.0109 0.4367 1.1236
2 4UWJ MYA 0.0109 0.4367 1.1236
3 1ZB6 DIN 0.0059 0.41995 1.62866
4 1ZB6 GST 0.006319 0.41995 1.62866
5 3L5R 47X 0.04776 0.41241 1.63934
6 3PP0 03Q 0.0005417 0.40155 1.77515
7 5UR1 YY9 0.0297 0.40024 1.92926
8 4A91 GLU 0.03921 0.40111 2.01342
9 3T4L ZEA 0.0007507 0.44396 2.22222
10 5JGA 6KC 0.01521 0.4048 2.22222
11 4OYA 1VE 0.004078 0.45743 2.24719
12 4B2Z P5S 0.00165 0.4571 2.24719
13 5BVE 4VG 0.004271 0.45431 2.24719
14 2WSA 646 0.01973 0.43196 2.24719
15 2WSA MYA 0.01973 0.43196 2.24719
16 3EWC MCF 0.006497 0.41363 2.24719
17 1UNB PN1 0.01298 0.40679 2.2508
18 1UNB AKG 0.01331 0.40372 2.2508
19 2JDR L20 0.04217 0.40198 2.33918
20 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.04217 0.40198 2.33918
21 3KRR DQX 0.01081 0.43559 2.37288
22 5MW4 5JU 0.01728 0.4116 2.39521
23 5W4W 9WG 0.001326 0.45258 2.41692
24 4KBA 1QM 0.001308 0.44834 2.41692
25 4PIO AVI 0.01944 0.40211 2.47678
26 2YNE YNE 0.03308 0.42077 2.52809
27 2YNE NHW 0.03308 0.42077 2.52809
28 4U98 ACP 0.003676 0.40828 2.52809
29 4N14 WR7 0.01155 0.40536 2.54777
30 2XVD AS6 0.001966 0.4418 2.64901
31 4G31 0WH 0.01716 0.40352 2.67559
32 1N9L FMN 0.001339 0.42589 2.75229
33 4DE9 VTP 0.008122 0.41623 2.7972
34 5LIA 6XN 0.01123 0.43731 2.80899
35 5KJW 53C 0.000126 0.41314 2.80899
36 4X6F 3XU 0.01487 0.41282 2.85714
37 5HES 032 0.01014 0.40175 2.9316
38 4TWP AXI 0.005064 0.4391 2.95203
39 2WKQ FMN 0.0008608 0.43376 3.01205
40 5DEY 59T 0.01772 0.40616 3.0303
41 3LXK MI1 0.01336 0.40229 3.0581
42 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 0.03892 0.40756 3.06122
43 3G5D 1N1 0.002132 0.46534 3.14685
44 1KGI T4A 0.002044 0.43462 3.14961
45 2ZMF CMP 0.005921 0.4068 3.1746
46 1MH5 HAL 0.01274 0.40038 3.19635
47 5DYO FLU 0.0003274 0.4003 3.30189
48 4GCZ FMN 0.001158 0.43793 3.37079
49 2OVW CBI 0.01455 0.41071 3.37079
50 5A3T MMK 0.0107 0.41069 3.37079
51 1Z03 OCH 0.02165 0.40193 3.37079
52 3ZJX BOG 0.005004 0.43763 3.46021
53 4L2I NAD 0.03093 0.40277 3.46821
54 2YG2 FLC 0.008827 0.4091 3.48837
55 2YG2 S1P 0.007111 0.40865 3.48837
56 2YAK OSV 0.008168 0.41481 3.50877
57 5XDT ZI7 0.001352 0.44769 3.57143
58 5LRT ADP 0.003782 0.42425 3.65169
59 3HKW IX6 0.03891 0.40092 3.65169
60 2FB3 GTP 0.009987 0.41078 3.82353
61 5A89 FMN 0.002044 0.45703 3.84615
62 5A89 ADP 0.002044 0.45703 3.84615
63 1JIF CU BLM 0.008579 0.4111 4.09836
64 5DQ8 FLF 0.01107 0.40999 4.16667
65 4ANW O92 0.002972 0.43775 4.21348
66 1CLU DBG 0.02604 0.403 4.21687
67 3P7N FMN 0.0005466 0.44248 4.26357
68 1N07 FMN 0.006239 0.42405 4.29448
69 3KV8 FAH 0.03994 0.40576 4.31655
70 4WHZ 3NL 0.003775 0.44805 4.77528
71 4MIB 28M 0.0412 0.40975 4.77528
72 3IHG FAD 0.01659 0.4006 4.77528
73 2HK5 1BM 0.005418 0.41039 4.81482
74 5DKK FMN 0.0008957 0.44282 4.82759
75 5HCY 60D 0.01036 0.42322 4.83384
76 4R38 RBF 0.00009669 0.48759 5
77 5NCY 8TK 0.002375 0.4395 5.05618
78 1DZK PRZ 0.005636 0.40948 5.09554
79 4O9S 2RY 0.002673 0.43266 5.11628
80 4OPC FDA 0.008986 0.45582 5.33708
81 4OPC PGT 0.01036 0.45553 5.33708
82 4XTX 590 0.01608 0.40247 5.55556
83 3FW4 CAQ 0.003189 0.42759 5.61798
84 5H2U 1N1 0.007124 0.40131 5.61798
85 2Y6Q I7T 0.03673 0.40067 5.61798
86 4K55 H6P 0.00001363 0.409 5.64516
87 5L2J 6UL 0.01819 0.4255 5.66667
88 5L2J 70E 0.02553 0.41924 5.66667
89 4Q3F TLA 0.03203 0.40758 5.98291
90 1S4M LUM 0.00836 0.41161 6.14334
91 1WUB OTP 0.004772 0.43938 6.17978
92 3SAO DBH 0.00001217 0.40659 6.25
93 1VJY 460 0.001744 0.44847 6.27063
94 4BQY FNT 0.003607 0.4182 6.34921
95 3LVW GSH 0.01037 0.41716 6.46067
96 4B0T ADP 0.005657 0.41635 6.46067
97 5X8G S0N 0.02428 0.41106 6.46067
98 2OFV 242 0.02141 0.40122 6.4982
99 3EM0 CHD 0.01312 0.41919 6.52174
100 3MTX PGT 0.01472 0.40547 6.62252
101 4YBN FAD 0.006814 0.41844 6.69643
102 2RFZ CTR 0.009116 0.40381 6.74157
103 1NB9 ADP 0.01346 0.41388 6.80272
104 1NB9 RBF 0.01346 0.41388 6.80272
105 4XV1 904 0.003915 0.43348 6.84932
106 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 0.00285 0.4298 6.91489
107 4EES FMN 0.001046 0.44195 6.95652
108 3E85 BSU 0.002457 0.45003 6.96203
109 3OQJ 3CX 0.01005 0.40985 7.00389
110 3G08 FEE 0.008219 0.43652 7.01754
111 3T50 FMN 0.001307 0.42643 7.03125
112 3AD8 FAD 0.03395 0.41351 7.07071
113 3AD8 PYC 0.03395 0.41351 7.07071
114 2QHV OC9 0.005535 0.42699 7.14286
115 4CQE CQE 0.01033 0.41831 7.19424
116 4QMN DB8 0.006999 0.42408 7.41935
117 1OUK 084 0.005607 0.467 7.58427
118 1REQ DCA 0.01161 0.42175 7.58427
119 4ITH RCM 0.002454 0.4275 7.82313
120 4P5Z Q7M 0.00137 0.45975 7.86517
121 4LOO SB4 0.003094 0.41713 7.86517
122 5EW9 5VC 0.02979 0.42883 8.11808
123 2A1L PCW 0.02677 0.40417 8.14815
124 5IXG OTP 0.01061 0.4254 8.28402
125 3IES M24 0.01277 0.41181 8.42697
126 5IXH OTP 0.01876 0.41079 8.69565
127 2YKL NLD 0.00125 0.41694 8.7963
128 1GT4 UNA 0.0003242 0.45279 8.80503
129 2V0U FMN 0.001008 0.4309 8.90411
130 5DJU FMN 0.0012 0.43932 8.96552
131 2XIQ MLC 0.004762 0.4256 8.98876
132 2PR5 FMN 0.001116 0.429 9.09091
133 3TAY MN0 0.001676 0.44021 9.20245
134 4N1T 2GD 0.01138 0.41187 9.43396
135 1W6P NDG GAL 0.00806 0.41036 9.70149
136 5U98 1KX 0.02433 0.41596 9.74729
137 5DJT FMN 0.001027 0.44022 9.83607
138 4MNS 2AX 0.0318 0.40376 10.0629
139 2TPI ILE VAL 0.003741 0.41353 10.3448
140 4XIZ LPP 0.002487 0.44265 10.5882
141 2I0D MUT 0.03581 0.41059 11.1111
142 1OPK P16 0.01094 0.41023 11.7978
143 2XG5 EC2 0.002448 0.44726 11.9266
144 2XG5 EC5 0.002448 0.44726 11.9266
145 2Z6C FMN 0.003186 0.41863 12.4031
146 5D48 L96 0.002402 0.43477 12.5
147 1XK5 TPG 0.01862 0.40557 12.7451
148 4EWH T77 0.009616 0.40883 13.0909
149 4WUJ FMN 0.001046 0.43986 13.6054
150 3VHE 42Q 0.01303 0.40545 13.764
151 2GUC MAN 0.009253 0.42894 13.9344
152 5BU3 4W9 0.00678 0.40787 14.1304
153 5EFW FMN 0.001074 0.43936 15
154 3VQ2 LP4 LP5 MYR DAO 0.02705 0.40309 15.2778
155 4X9X OLA 0.005437 0.41866 17.0569
156 1MDC PLM 0.005558 0.41344 18.1818
Pocket No.: 3; Query (leader) PDB : 4BG4; Ligand: ADP; Similar sites found: 14
This union binding pocket(no: 3) in the query (biounit: 4bg4.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4BVA T3 0.01881 0.4049 1.79104
2 2QLU ADE 0.01669 0.40156 1.91083
3 4FFG 0U8 0.0003491 0.40601 1.96629
4 5EOB 5QQ 0.03334 0.4029 2.50784
5 4F4P 0SB 0.02989 0.40797 2.5641
6 2Z6D FMN 0.003334 0.41401 3.07692
7 3DLG GWE 0.01822 0.42115 4.09091
8 2ABS ACP 0.01481 0.41074 4.49438
9 4MPO AMP 0.02509 0.40098 4.57516
10 1QY1 PRZ 0.004919 0.41048 4.5977
11 5NBW 8SK 0.007422 0.41388 4.6729
12 4WVO 3UZ 0.005791 0.41537 5.52486
13 3D91 REM 0.04021 0.4035 8.5044
14 1PZO CBT 0.01474 0.40986 12.5475
Pocket No.: 4; Query (leader) PDB : 4BG4; Ligand: ARG; Similar sites found: 27
This union binding pocket(no: 4) in the query (biounit: 4bg4.bio1) has 12 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2X05 X05 0.0156 0.40926 1.96629
2 1R37 NAD 0.04832 0.40181 2.01729
3 3EMY IVA VAL VAL STA ALA STA 0.02067 0.40475 2.12766
4 4CJX 9L9 0.00852 0.42971 2.19436
5 4EFH ADP 0.02114 0.40392 2.24719
6 3TN7 NJP 0.02804 0.41531 2.33463
7 4GKV NAD 0.04133 0.40642 2.38095
8 1AFS NAP 0.02881 0.4133 2.47678
9 1GDE GLU PLP 0.02124 0.40737 2.52809
10 2W7Y A2G GAL FUC 0.02031 0.40435 3.08989
11 3HKW IX6 0.01993 0.40313 3.65169
12 4D57 ARG AMP 0.03312 0.41371 3.93258
13 3MJE NDP 0.01942 0.42053 4.21348
14 3OTI C0T 0.03416 0.40342 4.49438
15 3H4V NAP 0.03802 0.40417 4.51389
16 4ZUL UN1 0.04859 0.40567 5.05618
17 3NYC FAD 0.03893 0.42384 5.33708
18 3NYC IAR 0.03893 0.42384 5.33708
19 1ERB ETR 0.03204 0.40521 5.46448
20 4CQM NAP 0.03374 0.40756 5.74713
21 1N62 FAD 0.03859 0.41223 5.90278
22 5ABH YWN 0.00853 0.43198 6.17978
23 3D5Z FUB AHR AHR 0.02598 0.4018 7.32484
24 3R1V AZB 0.01268 0.42294 7.87402
25 4M52 FAD 0.03532 0.41782 8.3691
26 2XIQ MLC 0.04327 0.40038 8.98876
27 3AY6 NAI 0.04628 0.40626 9.66543
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