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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: 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 : 4BG4; Ligand: ARG; Similar sites found with APoc: 173
This union binding pocket(no: 1) in the query (biounit: 4bg4.bio2) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1G2N EPH None
2 1ZBQ NAD 0.917431
3 2DKN NAI 1.17647
4 2CXS F6P 1.40449
5 5T79 NDP 1.50602
6 5Y9D FAD 1.68539
7 2O2C G6Q 1.68539
8 4EMI FAD 1.68539
9 4FL3 ANP 1.68539
10 5GWT NAD 1.79856
11 6BQ6 TER 1.81269
12 2ABJ CBC 1.96629
13 2WYA HMG 1.96629
14 2FR1 NDP 2.05761
15 4JP3 CIT 2.09205
16 4CJX NAP 2.19436
17 2QZZ NAP 2.20126
18 1GZ4 ATP 2.24719
19 5WKC FAD 2.24719
20 4R5Z PMP 2.24719
21 3TN7 NJP 2.33463
22 3CMC NAD 2.39521
23 1GZ6 NAI 2.50784
24 6F9Q NAD 2.57353
25 3WBF NAP 2.62295
26 1XHL NDP 2.6936
27 5XFV FMN 2.69461
28 1A27 EST 2.76817
29 3ORF NAD 2.78884
30 4HXY NDP 2.80899
31 1XPM HMG 2.80899
32 4AMV F6R 2.80899
33 3LL5 ADP 2.81124
34 3LL5 IPE 2.81124
35 3LL5 ATP 2.81124
36 1Z6Z NAP 2.83688
37 6C4A PYR 2.94118
38 4GLW NMN 2.95082
39 5L4L NAP 2.96053
40 5B4T NAD 3.07692
41 5B4T 3HR 3.07692
42 1V97 MTE 3.08989
43 4WAS NAP 3.08989
44 4UME KDO 3.10881
45 4YAG NAI 3.11419
46 2Q2V NAD 3.13725
47 1GSA ADP 3.16456
48 2BD0 NAP 3.27869
49 5NXX 3Q7 3.35821
50 4LH0 GLV 3.37079
51 1X1T NAD 3.46154
52 4J7U NAP 3.47222
53 4J7U YTZ 3.47222
54 1KPH 10A 3.48432
55 1KPG 16A 3.48432
56 1XKQ NDP 3.57143
57 3SJU NDP 3.58423
58 4WOH 4NP 3.61446
59 5V6F MAN BMA MAN 3.62319
60 4O0L NDP 3.63636
61 1RF6 GPJ 3.65169
62 1RF6 S3P 3.65169
63 4Z87 GDP 3.65169
64 4EPL JAI 3.65169
65 4IPE ANP 3.65169
66 4YJI TYL 3.65169
67 3AFN NAP 3.87597
68 3UYK 0CX 3.93258
69 1C7O PPG 3.93258
70 3B00 16A 4.04412
71 5XWV 8H6 4.21348
72 5XWV NDP 4.21348
73 5E9G GLV 4.21348
74 6CI9 NAP 4.2471
75 1FK8 NAD 4.28016
76 5HVA DUP 4.28571
77 3HRD MCN 4.375
78 5ZZB ATP 4.41176
79 2WD7 NAP 4.47761
80 3O9Z NAD 4.48718
81 3O9Z AKG 4.48718
82 5K8C NAD 4.49438
83 3H4V DVP 4.51389
84 2P2V CSF 4.51389
85 5TH5 7C5 4.56274
86 6F3M ADN 4.56522
87 1XG5 NAP 4.6595
88 2WSB NAD 4.72441
89 4URF NAD 4.83871
90 6HOY AR6 4.96689
91 6HOY TSN 4.96689
92 3OID NDP 5.03876
93 2PQB GG9 5.05618
94 3B4Y F42 5.05618
95 3ZG6 APR 5.06757
96 2A8Y MTA 5.18518
97 5K6A NAP 5.20833
98 5JDC NAP 5.20833
99 5JCJ NAP 5.20833
100 4CLR NAP 5.20833
101 4CMI NAP 5.20833
102 4CM4 NAP 5.20833
103 3JQF NAP 5.20833
104 3BMQ NAP 5.20833
105 4CM9 NAP 5.20833
106 3BMN NAP 5.20833
107 3JQ8 NAP 5.20833
108 3JQ9 NAP 5.20833
109 5JDI NAP 5.20833
110 3BMO NAP 5.20833
111 4CM8 NAP 5.20833
112 3JQG NAP 5.20833
113 5G5G MCN 5.24017
114 4J56 FAD 5.26316
115 1WDK NAD 5.33708
116 2DSA HPX 5.41872
117 5EJ2 NAD 5.51948
118 5KOR GDP 5.61798
119 4A0S NAP 5.61798
120 2CJF RP4 5.73248
121 4CQM NAP 5.74713
122 6FK3 PPI 5.89888
123 2WTX VDO 5.89888
124 1N62 MCN 5.90278
125 4ITU 1HS 5.94796
126 4ITU NAI 5.94796
127 3ZLR X0B 6.32911
128 4O1M NAD 6.34921
129 2REG CHT 6.37584
130 5X8G S0N 6.46067
131 6AMI TRP 6.46067
132 1V59 NAD 6.46067
133 3I6I NDP 6.93642
134 2AQX ATP 7.26644
135 5L13 6ZE 7.30337
136 5OJI ISN 7.30769
137 5OJI NAP 7.30769
138 5G4L NDP 7.34266
139 2H3H BGC 7.34824
140 1F6D UDP 7.44681
141 2ZAT NAP 8.07692
142 2J4D MHF 8.14607
143 4XF6 LIP 8.42491
144 4XF6 INS 8.42491
145 5TUF FAD 8.42697
146 1BDB NAD 8.66426
147 4H8N NDP 8.70968
148 1E3W NAD 8.81226
149 1E6W NAD 8.84615
150 2DC1 NAD 8.8983
151 3VPB ADP 8.92857
152 2R40 EPH 9.02256
153 2BKK ADP 9.4697
154 5ANU 58T 9.49367
155 5EPO TUD 9.54198
156 3AY6 BGC 9.66543
157 3AY6 NAI 9.66543
158 2C2A ADP 9.68992
159 3V1Y NAD 9.79228
160 2XMY CDK 10.0671
161 1RM6 PCD 11.1801
162 3NRZ MTE 12.1951
163 3NRZ HPA 12.1951
164 1W73 NAP 12.5828
165 4ZOH MCN 12.9213
166 2HOX P1T 13.764
167 1FFU CDP 14.1104
168 2JAP NDP 14.9798
169 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 15.1042
170 1QG6 TCL 15.3257
171 1QG6 NAD 15.3257
172 2QRD ATP 15.4639
173 3IWD M2T 17.6471
Pocket No.: 2; Query (leader) PDB : 4BG4; Ligand: ADP; Similar sites found with APoc: 365
This union binding pocket(no: 2) in the query (biounit: 4bg4.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
1 4UWJ MYA 1.1236
2 4UWJ 7L5 1.1236
3 4WVW SLT 1.38889
4 4LIT AKG 1.40449
5 3MF2 AMP 1.44509
6 3CM2 X23 1.53846
7 1ZB6 DIN 1.62866
8 1ZB6 GST 1.62866
9 5L2R MLA 1.68539
10 5J75 6GQ 1.68539
11 3GLC R5P 1.69492
12 3PP0 03Q 1.77515
13 3FYP PEP 1.78571
14 1W8S FBP 1.90114
15 5UR1 YY9 1.92926
16 5KD6 LBU 1.96629
17 5KD6 6C7 1.96629
18 5LUN OGA 1.98864
19 4A91 GLU 2.01342
20 5T96 79J 2.04678
21 1QD1 FON 2.15385
22 3KYF 5GP 5GP 2.1645
23 3T4L ZEA 2.22222
24 5JGA 6KC 2.22222
25 1A78 TDG 2.23881
26 4OYA 1VE 2.24719
27 4B2Z P5S 2.24719
28 5BVE 4VG 2.24719
29 2WSA MYA 2.24719
30 2WSA 646 2.24719
31 5KR7 6X9 2.24719
32 1Y7P RIP 2.24719
33 5MU6 MYA 2.24719
34 5MU6 KFK 2.24719
35 3EWC MCF 2.24719
36 2XXP DSL 2.24719
37 1UNB PN1 2.2508
38 1UNB AKG 2.2508
39 2JDR L20 2.33918
40 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 2.33918
41 5MW4 5JU 2.39521
42 5W4W 9WG 2.41692
43 4KBA 1QM 2.41692
44 4PIO AVI 2.47678
45 5X7Q GLC GLC GLC GLC GLC 2.52809
46 2YNE NHW 2.52809
47 2YNE YNE 2.52809
48 1VA6 P2S 2.52809
49 1VA6 ADP 2.52809
50 4U98 ACP 2.52809
51 2OS2 OGA 2.52809
52 6GWR FEW 2.53968
53 4N14 WR7 2.54777
54 2Q8E OGA 2.55682
55 2WA4 069 2.5788
56 2XVD AS6 2.64901
57 1M5B BN1 2.6616
58 4G31 0WH 2.67559
59 1N9L FMN 2.75229
60 6MPT C30 2.7972
61 5KJW 53C 2.80899
62 4ONA UW1 2.80899
63 2VFT SOR 2.80899
64 5LIA 6XN 2.80899
65 3A16 PXO 2.80899
66 4X6F 3XU 2.85714
67 5SVV FMN 2.91971
68 1F5F DHT 2.92683
69 4TWP AXI 2.95203
70 5DG2 GAL GLC 2.96296
71 1WS4 AMG 3.00752
72 1UGW GAL 3.00752
73 1KUJ MMA 3.00752
74 1UGY GLA BGC 3.00752
75 1JAC AMG 3.00752
76 2WKQ FMN 3.01205
77 5DEY 59T 3.0303
78 3I8T LBT 3.04878
79 3LXK MI1 3.0581
80 4XCB AKG 3.06513
81 2Z6D FMN 3.07692
82 6GG9 FMN 3.08642
83 1GPM AMP 3.08989
84 2QE0 NAP 3.08989
85 3G5D 1N1 3.14685
86 1KGI T4A 3.14961
87 2VDF OCT 3.16206
88 2ZMF CMP 3.1746
89 1VKF CIT 3.19149
90 1MH5 HAL 3.19635
91 4BTV RB3 3.19767
92 4RYV ZEA 3.22581
93 4QAC KK3 3.22581
94 5DYO FLU 3.30189
95 5OF1 SAL 3.33333
96 6G9I CXX 3.33333
97 5MRH Q9Z 3.37079
98 4GCZ FMN 3.37079
99 2OVW CBI 3.37079
100 5A3T MMK 3.37079
101 2QK4 ATP 3.37079
102 1Z03 OCH 3.37079
103 6CC0 EWM 3.37553
104 1KDK DHT 3.38983
105 2DXU BT5 3.40426
106 4HIA FMN 3.40909
107 3ZJX BOG 3.46021
108 4L2I NAD 3.46821
109 2YG2 FLC 3.48837
110 2YG2 S1P 3.48837
111 2YAK OSV 3.50877
112 5XDT ZI7 3.57143
113 4RT1 C2E 3.57143
114 4MOB ADP 3.61446
115 5EJL C2E 3.62903
116 1ELI PYC 3.65169
117 3VRY B43 3.65169
118 5LRT ADP 3.65169
119 3QPB URA 3.65169
120 4YZ5 SLT 3.65169
121 3HKW IX6 3.65169
122 2GJ5 VD3 3.7037
123 4NS0 PIO 3.7594
124 2FB3 GTP 3.82353
125 5A89 FMN 3.84615
126 5A89 ADP 3.84615
127 5H9Q TD2 3.87097
128 3ESS 18N 3.91304
129 5MJA 7O3 3.93443
130 2VQ5 HBA 3.9801
131 4Z1D PEP 3.98551
132 3D72 FAD 4.02685
133 6FA4 D1W 4.04624
134 4TWL ASC 4.06504
135 1JIF CU BLM 4.09836
136 3HCH RSM 4.10959
137 1RJW ETF 4.12979
138 5DQ8 FLF 4.16667
139 2FUE M1P 4.19847
140 2PNC CLU 4.21348
141 4YRI 4JH 4.21348
142 1I1E DM2 4.21348
143 1RYD GLC 4.21348
144 5H9Y BGC BGC BGC BGC 4.21348
145 6C1S EFV 4.21348
146 5O9W AKG 4.21348
147 3TTI KBI 4.21348
148 1CLU DBG 4.21687
149 5OCG 9R5 4.2328
150 3P7N FMN 4.26357
151 1TT8 PHB 4.26829
152 1N07 FMN 4.29448
153 3KV8 FAH 4.31655
154 2Z77 HE7 4.31655
155 4XMF HSM 4.34783
156 4FK7 P34 4.36681
157 1WW5 SGA BGC 4.375
158 3VV1 GAL FUC 4.375
159 5XVG 8FX 4.43686
160 2FCU AKG 4.47284
161 4P8K 38C 4.49438
162 4P8K FAD 4.49438
163 5AE9 OKO 4.49438
164 4X3R 686 4.49438
165 1LSH PLD 4.49438
166 1YFS ALA 4.49438
167 1KOR SIN 4.5
168 3ZXE PGZ 4.51128
169 4WHZ 3NL 4.77528
170 3ZXR P3S 4.77528
171 3ZXR IQ1 4.77528
172 4MIB 28M 4.77528
173 3IHG FAD 4.77528
174 2HK5 1BM 4.81482
175 5DKK FMN 4.82759
176 5HCY 60D 4.83384
177 2AG4 LP3 4.87805
178 2AG4 OLA 4.87805
179 4L4J NAG NAG BMA MAN NAG 4.97738
180 4R38 RBF 5
181 1OF4 BMA BMA BMA BMA BMA 5.02793
182 3CBC DBS 5.05051
183 3DOO SKM 5.05618
184 5HV7 RBL 5.05618
185 5W75 SUC 5.05618
186 2QHS OCA 5.06329
187 1DZK PRZ 5.09554
188 4O9S 2RY 5.11628
189 3RWP ABQ 5.14469
190 2RDE C2E 5.17928
191 5CJ3 52G 5.18518
192 5TBM 79A 5.21739
193 6CDO ALA VAL GLY ILE GLY ALA VAL PHE 5.21739
194 5TQZ GLC 5.33333
195 2Z3U CRR 5.33708
196 4OPC FDA 5.33708
197 4OPC PGT 5.33708
198 5G48 1FL 5.33708
199 1VJ7 GPX 5.33708
200 1VBO MAN MAN MAN 5.36913
201 1VBO MAN 5.36913
202 5HWV MBN 5.38462
203 2G30 ALA ALA PHE 5.42636
204 4XTX 590 5.55556
205 1XXR MAN 5.59006
206 4RD0 GDP 5.61798
207 3FW4 CAQ 5.61798
208 3GD9 GLC BGC BGC BGC 5.61798
209 5H2U 1N1 5.61798
210 2Y6Q I7T 5.61798
211 1QKQ MAN 5.6338
212 4K55 H6P 5.64516
213 5WL1 D3D 5.66667
214 5WL1 CUY 5.66667
215 1GZF NIR 5.6872
216 3LTW HLZ 5.71429
217 5NLD LBT 5.7554
218 1OFL NGK GCD 5.89888
219 4QDC ASD 5.89888
220 6GNO XDI 5.92593
221 5TVF CGQ 5.96491
222 1I7M CG 5.97015
223 1UYY BGC BGC 6.10687
224 1S4M LUM 6.14334
225 1WUB OTP 6.17978
226 2QL9 CIT 6.18557
227 5V3D FCN 6.2069
228 3SAO DBH 6.25
229 1VJY 460 6.27063
230 5OX6 A1Z 6.34921
231 3LVW GSH 6.46067
232 4B0T ADP 6.46067
233 5X8G S0N 6.46067
234 2OFV 242 6.4982
235 3EM0 CHD 6.52174
236 3WUD GLC GAL 6.61765
237 3MTX PGT 6.62252
238 1F9V ADP 6.62824
239 1SDW IYT 6.6879
240 4YBN FAD 6.69643
241 3CF6 SP1 6.74157
242 2RFZ CTR 6.74157
243 5L4R CPT 6.76329
244 1NB9 ADP 6.80272
245 1NB9 RBF 6.80272
246 4XV1 904 6.84932
247 4MVK ACE VAL PHE PHE ALA GLU ASP NH2 6.91489
248 4EES FMN 6.95652
249 3E85 BSU 6.96203
250 2ET1 GLV 6.96517
251 3OQJ 3CX 7.00389
252 3G08 FEE 7.01754
253 3T50 FMN 7.03125
254 3AD8 FAD 7.07071
255 3AD8 PYC 7.07071
256 2QHV OC9 7.14286
257 4CQE CQE 7.19424
258 1F52 ADP 7.30337
259 4R3U 3KK 7.30337
260 4R3U 3HC 7.30337
261 4QMN DB8 7.41935
262 3WV6 GAL BGC 7.43243
263 3WV6 GAL GLC 7.43243
264 3M3E GAL A2G NPO 7.45342
265 2EB5 OXL 7.49064
266 1OUK 084 7.58427
267 1REQ DCA 7.58427
268 1MAI I3P 7.63359
269 6D61 4AA 7.69231
270 2YMZ LAT 7.69231
271 5NIU 8YZ 7.8125
272 4ITH RCM 7.82313
273 4P5Z Q7M 7.86517
274 4LOO SB4 7.86517
275 3WG3 A2G GAL NAG FUC 7.86517
276 1MFI FHC 7.89474
277 5EW9 5VC 8.11808
278 5YJS SAL 8.14607
279 2A1L PCW 8.14815
280 5IXG OTP 8.28402
281 5T7I LAT NAG GAL 8.3871
282 3IES M24 8.42697
283 5TUF TDC 8.42697
284 3NZ1 3NY 8.42912
285 4Y24 TD2 8.44156
286 4B1L FRU 8.48485
287 5D9G GLU ASN LEU TYR PHE GLN 8.53659
288 4AG8 AXI 8.5443
289 5IXH OTP 8.69565
290 2YKL NLD 8.7963
291 1GT4 UNA 8.80503
292 2V0U FMN 8.90411
293 3QRC SCR 8.9172
294 5DJU FMN 8.96552
295 2XIQ MLC 8.98876
296 5ACM MBT 9.00901
297 2PR5 FMN 9.09091
298 5NFB 8VT 9.09091
299 3TAY MN0 9.20245
300 3GD8 GOL 9.41704
301 3WUC GLC GAL 9.48905
302 5VNF VAL THR SER VAL VAL 9.55414
303 5VGS 9A7 9.55414
304 4IAW LIZ 9.57447
305 4C2W ANP 9.61539
306 3OYW TDG 9.70149
307 1GZW GAL BGC 9.70149
308 1W6P NDG GAL 9.70149
309 1W6O LAT 9.70149
310 1W6M GAL 9.70149
311 5U98 1KX 9.74729
312 5DJT FMN 9.83607
313 5GLT BGC GAL NAG GAL 9.85915
314 4MNS 2AX 10.0629
315 2Z5Y HRM 10.1124
316 5H9P TD2 10.1266
317 2TPI ILE VAL 10.3448
318 1SLT NDG GAL 10.4478
319 4XIZ LPP 10.5882
320 5AYT L6Y 11.3208
321 5TKJ ALA VAL GLY ILE GLY ALA VAL PHE 11.4155
322 1ZNY GDP 11.5942
323 6DZN AE3 11.7371
324 3QH2 3NM 11.7647
325 1OPK P16 11.7978
326 2XG5 EC5 11.9266
327 2XG5 EC2 11.9266
328 1UMI NDG NAG 11.9565
329 2AGC DAO 12.3457
330 6E48 4OA 12.3894
331 2Z6C FMN 12.4031
332 5D48 L96 12.5
333 1XK5 TPG 12.7451
334 4EWH T77 13.0909
335 5F6U 5VK 13.3758
336 6EWZ APC 13.5021
337 4WUJ FMN 13.6054
338 6GBV FMN 13.6986
339 3VHE 42Q 13.764
340 2GUD MAN 13.9344
341 2HYQ MAN MAN 13.9344
342 2GUC MAN 13.9344
343 2HYR BGC GLC 13.9344
344 2NUO BGC 13.9344
345 2NU5 NAG 13.9344
346 2GUD BMA 13.9344
347 5BU3 4W9 14.1304
348 3TCT 3MI 14.1732
349 5EFW FMN 15
350 3VQ2 LP4 LP5 MYR DAO 15.2778
351 6H39 FGY 15.3846
352 5K21 6QF 15.6028
353 3NV3 GAL NAG MAN 15.942
354 3VKX T3 16.092
355 5Y4R C2E 16.3265
356 4ZTD ALA GLY ALA GLY ALA 16.6008
357 1ULE GLA GAL NAG 16.6667
358 3TTZ 07N 16.6667
359 2W5P CL8 16.7785
360 5LXT GTP 16.7832
361 4X9X OLA 17.0569
362 3IWD M2T 17.6471
363 1MDC PLM 18.1818
364 3H0L ADP 24.4681
365 2P7Q GG6 34.5865
Pocket No.: 3; Query (leader) PDB : 4BG4; Ligand: ADP; Similar sites found with APoc: 48
This union binding pocket(no: 3) in the query (biounit: 4bg4.bio1) has 21 residues
No: Leader PDB Ligand Sequence Similarity
1 1I82 BGC BGC 1.0582
2 6BXL SAM 1.68539
3 4BVA T3 1.79104
4 2QLU ADE 1.91083
5 4FFG 0U8 1.96629
6 5TV6 PML 2.08333
7 6BHQ NAG NAG FUL BMA MAN MAN NAG GAL 2.23214
8 5Y72 DST 2.38806
9 2WEI VGG 2.43902
10 5EOB 5QQ 2.50784
11 2YBP 2HG 2.52809
12 2P5B OGA 2.55682
13 4F4P 0SB 2.5641
14 5T8U LPA 2.80899
15 5KY9 GDP 2.8169
16 1MJJ HAL 3.19635
17 5INJ 6C7 3.37079
18 3KFF XBT 3.7037
19 3KFF ZBT 3.7037
20 2D6M LBT 3.77358
21 3DLG GWE 4.09091
22 1C3X 8IG 4.13534
23 4LH7 1X8 4.33437
24 2ABS ACP 4.49438
25 3RGA LSB 4.49438
26 4MPO AMP 4.57516
27 1QY1 PRZ 4.5977
28 5NBW 8SK 4.6729
29 4RDL FUC GAL NDG FUC 5.19481
30 4USF 6UI 5.26316
31 4WVO 3UZ 5.52486
32 2CDO GAL AAL GAL AAL GAL AAL 5.625
33 5W1E PHB 5.89888
34 6C5F 7L9 5.98291
35 3PE2 E1B 6.23145
36 1IS3 LAT 6.66667
37 1USF NAP 6.74157
38 5D3X 4IP 8.38323
39 3D91 REM 8.5044
40 2FKA BEF 8.52713
41 1Y2F WAI 9.35252
42 6DW2 HD4 10.1266
43 2GC0 PAN 10.6383
44 3ACL 3F1 11.1486
45 1J3R 6PG 11.5789
46 1PZO CBT 12.5475
47 4WO4 JLS 14.6939
48 4JGX PLM 19.3798
Pocket No.: 4; Query (leader) PDB : 4BG4; Ligand: ARG; Similar sites found with APoc: 53
This union binding pocket(no: 4) in the query (biounit: 4bg4.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 2C9O ADP 1.40449
2 6BKA FMN 1.68539
3 1CER NAD 1.81269
4 2X05 X05 1.96629
5 1R37 NAD 2.01729
6 3EMY IVA VAL VAL STA ALA STA 2.12766
7 4CJX 9L9 2.19436
8 1PN0 FAD 2.24719
9 1PN0 IPH 2.24719
10 4EFH ADP 2.24719
11 4GKV NAD 2.38095
12 1AFS NAP 2.47678
13 3BW2 FMN 2.52809
14 1GDE GLU PLP 2.52809
15 2W7Y A2G GAL FUC 3.08989
16 3VZS CAA 3.11284
17 4NEC SAH 3.40909
18 4NDO ATP 3.62319
19 4DK7 0KS 3.64372
20 3HKW IX6 3.65169
21 4D57 ARG AMP 3.93258
22 2X00 GYN 4.40529
23 3OTI C0T 4.49438
24 3H4V NAP 4.51389
25 1I7L ATP 4.53074
26 2F7A BEZ 4.74138
27 1NJJ ORX 4.77528
28 5XJ8 NKO 4.97512
29 4ZUL UN1 5.05618
30 4P5E N6P 5.26316
31 3NYC FAD 5.33708
32 3NYC IAR 5.33708
33 1QNF HDF 5.33708
34 1ERB ETR 5.46448
35 3UUA 0CZ 5.57769
36 1CS4 FOK 5.66038
37 1CS4 101 5.66038
38 1N62 FAD 5.90278
39 5ABF XRJ 6.17978
40 5ABH YWN 6.17978
41 4BJ8 BTN 6.34921
42 2YC5 6BC 6.57895
43 1JE1 GMP 6.77966
44 2R2N PMP 7.02247
45 3R1V AZB 7.87402
46 1RHC F42 ACN 7.87879
47 5H62 UDP 8.04598
48 4M52 M52 8.3691
49 4M52 FAD 8.3691
50 4AG8 AXI 8.5443
51 2XIQ MLC 8.98876
52 3KEE 30B 14.2105
53 1PU7 39A 14.2202
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