Receptor
PDB id Resolution Class Description Source Keywords
4C12 1.8 Å EC: 6.3.2.7 X-RAY CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS MURE WITH UDP-MURNAC-ALA-GLU-LYS AND ADP STAPHYLOCOCCUS AUREUS LIGASE
Ref.: SPECIFICITY DETERMINANTS FOR LYSINE INCORPORATION I STAPHYLOCOCCUS AUREUS PEPTIDOGLYCAN AS REVEALED BY STRUCTURE OF A MURE ENZYME TERNARY COMPLEX. J.BIOL.CHEM. V. 288 33439 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MG A:1500;
A:1501;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
ADP A:1499;
Valid;
none;
submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
GOL A:1495;
A:1494;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
UML A:1498;
Valid;
none;
submit data
1007.78 C34 H55 N7 O24 P2 C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4C12 1.8 Å EC: 6.3.2.7 X-RAY CRYSTAL STRUCTURE OF STAPHYLOCOCCUS AUREUS MURE WITH UDP-MURNAC-ALA-GLU-LYS AND ADP STAPHYLOCOCCUS AUREUS LIGASE
Ref.: SPECIFICITY DETERMINANTS FOR LYSINE INCORPORATION I STAPHYLOCOCCUS AUREUS PEPTIDOGLYCAN AS REVEALED BY STRUCTURE OF A MURE ENZYME TERNARY COMPLEX. J.BIOL.CHEM. V. 288 33439 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4C13 - UML C34 H55 N7 O24 P2 C[C@@H](C(....
2 4C12 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4C13 - UML C34 H55 N7 O24 P2 C[C@@H](C(....
2 4C12 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4C13 - UML C34 H55 N7 O24 P2 C[C@@H](C(....
2 4C12 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
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: UML; Similar ligands found: 44
No: Ligand ECFP6 Tc MDL keys Tc
1 UML 1 1
2 UAG 0.84058 0.935897
3 UMA 0.75 0.884615
4 EPZ 0.683824 0.884615
5 EEB 0.654676 0.873418
6 UAG API 0.654321 0.936709
7 EPU 0.575342 0.85
8 UD2 0.564286 0.871795
9 UD1 0.564286 0.871795
10 U21 0.564103 0.902439
11 U20 0.564103 0.902439
12 UMA FGA LYS DAL DAL 0.535912 0.962025
13 U22 0.534591 0.926829
14 HP7 0.524138 0.858974
15 MJZ 0.520548 0.884615
16 UD7 0.513699 0.871795
17 UD4 0.506757 0.884615
18 UDZ 0.493421 0.831325
19 GDU 0.478571 0.858974
20 UFM 0.478571 0.858974
21 UPG 0.478571 0.858974
22 GUD 0.478571 0.858974
23 12V 0.467105 0.82716
24 HWU 0.467105 0.82716
25 U2F 0.458333 0.817073
26 UPF 0.458333 0.817073
27 UAD 0.458333 0.858974
28 UDX 0.458333 0.858974
29 UD0 0.457143 0.802326
30 UDM 0.456376 0.884615
31 4RA 0.454023 0.790698
32 UGA 0.452055 0.846154
33 UGB 0.452055 0.846154
34 G3N 0.44898 0.884615
35 UFG 0.448276 0.817073
36 USQ 0.442177 0.761364
37 UDH 0.42069 0.935897
38 IUG 0.415094 0.733333
39 UTP 0.410072 0.810127
40 UDP 0.408759 0.810127
41 URM 0.408163 0.871795
42 660 0.408163 0.871795
43 3UC 0.407895 0.817073
44 MU2 0.401361 0.653846
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4C12; Ligand: UML; Similar sites found: 82
This union binding pocket(no: 1) in the query (biounit: 4c12.bio1) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.01426 0.45451 None
2 3P3N AKG 0.01417 0.41979 1.43266
3 1PEA ACM 0.01073 0.43768 1.55844
4 3O2K DST 0.02014 0.4031 1.68776
5 3WXL ADP 0.007885 0.44731 1.79641
6 4KCT PYR 0.008741 0.41427 1.80361
7 4E28 9MZ 0.01094 0.42505 1.84615
8 2IZ1 ATR 0.02606 0.40735 1.89873
9 4AFK FLC 0.03142 0.42585 1.96507
10 4RJK PYR 0.003868 0.45995 1.99601
11 1QO0 BMD 0.003787 0.44658 2.04082
12 4CCO OGA 0.01715 0.40617 2.14133
13 2B7N NTM 0.02739 0.40159 2.1978
14 3QV9 QV7 0.005058 0.43484 2.20441
15 2Q37 3AL 0.02293 0.40512 2.20994
16 1EB9 HBA 0.007707 0.40785 2.29008
17 2Z9V PXM 0.01622 0.40725 2.29592
18 2ZWS PLM 0.002193 0.50099 2.39521
19 1T10 F6P 0.01292 0.41644 2.39521
20 1G8S MET 0.003527 0.44802 2.6087
21 4B9E FAH 0.006538 0.44171 2.65781
22 3I28 34N 0.00142 0.405 2.79441
23 3BHO B4P 0.01526 0.44427 2.88462
24 2Q1A 2KT 0.01727 0.41576 3.07167
25 1F1V DHY 0.008942 0.41385 3.09598
26 4COQ SAN 0.02048 0.41228 3.19361
27 3F81 STT 0.009323 0.44794 3.27869
28 3GTD MLI 0.01406 0.41476 3.3195
29 3S9K CIT 0.0007698 0.52698 3.38983
30 1TDF NAP 0.005035 0.40327 3.48101
31 1ZZ7 S0H 0.008171 0.4203 3.53535
32 1V6A TRE 0.02584 0.40275 3.61446
33 4M5P MLA 0.01048 0.45319 3.6855
34 4K30 NLG 0.01769 0.40559 3.75
35 4NAT ADP 0.007045 0.40294 3.75
36 2NCD ADP 0.02041 0.40742 3.80952
37 1RZM E4P 0.0003518 0.50301 3.84615
38 2NVK NAP 0.01747 0.40582 4.09836
39 3TFC PEP 0.01175 0.41339 4.15584
40 1Q11 TYE 0.01864 0.40459 4.30108
41 1YOA FMN 0.04458 0.42591 4.40252
42 2EB5 OXL 0.01657 0.41661 4.49438
43 3MAG 3MA 0.02236 0.43515 4.56026
44 1XX4 BAM 0.04991 0.40948 4.5977
45 1GU3 BGC BGC BGC BGC BGC 0.01535 0.40829 4.69799
46 3F8C HT1 0.009775 0.42192 4.7619
47 2JFV FLC 0.03469 0.40147 4.811
48 1SQ5 PAU 0.01444 0.40946 4.87013
49 3TKA CTN 0.03918 0.40694 4.89914
50 2WMO GTP 0.005619 0.40919 4.90654
51 1EYE PMM 0.01114 0.40145 5
52 4M51 BEZ 0.001585 0.47937 5.15223
53 1YRO UDP 0.006376 0.46112 5.24476
54 1Z44 NPO 0.019 0.44734 5.32544
55 1Z48 FMN 0.004079 0.41052 5.32544
56 1BTN I3P 0.0009161 0.52876 5.66038
57 1MZV AMP 0.004386 0.42215 5.95745
58 3R51 MMA 0.01292 0.44051 6.25
59 1SB8 UD2 0.001013 0.41403 6.81818
60 1T0S BML 0.04126 0.40804 6.97674
61 4NPT 017 0.0263 0.40578 7.07071
62 1XE7 GUN 0.0389 0.41525 7.38916
63 1O9U ADZ 0.0222 0.42815 7.42857
64 1WGC SIA GAL BGC 0.007733 0.46041 7.60234
65 2Q8H TF4 0.04001 0.4146 7.61671
66 1Y75 NAG 0.008477 0.41484 7.62712
67 3ZPG 5GP 0.0476 0.41059 7.8534
68 1V7R CIT 0.01384 0.44659 8.06452
69 3A2Y TS5 0.005665 0.40142 8.62944
70 1ULE GLA GAL NAG 0.04747 0.40492 8.66667
71 1I0Z OXM 0.01171 0.44274 8.70871
72 4F8L GAL 0.0007885 0.52633 11.0345
73 3QDY A2G GAL 0.002614 0.46849 11.8881
74 3QDT A2G GAL 0.006007 0.45034 11.8881
75 3QDY CBS 0.007743 0.43815 11.8881
76 2WGC SIA GAL BGC 0.004862 0.48125 12.2807
77 2XDQ MGX 0.0148 0.43742 12.3913
78 1SS4 GSH 0.0009374 0.52607 13.7255
79 1SS4 CIT 0.02641 0.4253 13.7255
80 1C1L GAL BGC 0.01495 0.42429 14.5985
81 2YLD CMO 0.02891 0.40522 17.3228
82 2QCX PF1 0.01652 0.41159 24.7148
Pocket No.: 2; Query (leader) PDB : 4C12; Ligand: ADP; Similar sites found: 253
This union binding pocket(no: 2) in the query (biounit: 4c12.bio1) has 52 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.007706 0.49044 None
2 2JGS BTN 0.009498 0.44026 None
3 2IYG FMN 0.01431 0.41689 None
4 1YRX FMN 0.01204 0.41635 None
5 4WVH ASP HIS ASP ALA HIS ALA 0.008777 0.43464 1.39721
6 3P3N AKG 0.02777 0.42499 1.43266
7 3KMZ EQO 0.004513 0.40405 1.50376
8 3OCZ SRA 0.01771 0.40269 1.52672
9 1PEA ACM 0.02557 0.43768 1.55844
10 3DGB MUC 0.02834 0.40406 1.57068
11 2J5V PCA 0.01278 0.46584 1.63488
12 3O2K DST 0.002658 0.4636 1.68776
13 3O2K QRP 0.02708 0.40851 1.68776
14 3WXL ADP 0.01715 0.44731 1.79641
15 4KCT PYR 0.0003466 0.49819 1.80361
16 4KCT FDP 0.0226 0.40833 1.80361
17 1N9L FMN 0.005445 0.41957 1.83486
18 4E28 9MZ 0.01501 0.43837 1.84615
19 4E28 0MZ 0.01889 0.4284 1.84615
20 2IZ1 ATR 0.02311 0.429 1.89873
21 3BRE C2E 0.0008992 0.49908 1.95531
22 1HKU NAD 0.001681 0.40455 1.95531
23 2ZJ5 ADP 0.003125 0.46606 1.99601
24 4RJK PYR 0.009806 0.45995 1.99601
25 1L8N GCW 0.002135 0.42128 1.99601
26 4RJK TPP 0.002546 0.40682 1.99601
27 3EZ2 ADP 0.0474 0.4144 2.01005
28 1QO0 BMD 0.01027 0.44658 2.04082
29 1TFZ 869 0.004824 0.41818 2.12264
30 3NFZ 3NF 0.02951 0.4033 2.14067
31 4CCO OGA 0.02648 0.41688 2.14133
32 2Q28 ADP 0.002803 0.42711 2.19561
33 2B7N NTM 0.01653 0.4312 2.1978
34 3QV9 QV7 0.008835 0.44434 2.20441
35 2Q37 3AL 0.01528 0.43286 2.20994
36 1EB9 HBA 0.01373 0.41767 2.29008
37 2Z9V PXM 0.03036 0.41407 2.29592
38 1FW1 GSH 0.006824 0.42668 2.31481
39 2O2C G6Q 0.01032 0.41552 2.39521
40 1T10 F6P 0.04623 0.40945 2.39521
41 1XVA SAM 0.002276 0.43053 2.39726
42 1JJV ATP 0.01747 0.44592 2.42718
43 1SJD NPG 0.001299 0.42558 2.44565
44 3KMT SAH 0.01753 0.4095 2.52101
45 3PLN U5P 0.00378 0.45647 2.59434
46 1Q19 SSC 0.03168 0.43101 2.59481
47 1Y9Q MED 0.006134 0.45772 2.60417
48 1G8S MET 0.02268 0.42941 2.6087
49 4PTZ FMN 0.01009 0.41244 2.6178
50 4F4S EFO 0.01113 0.43455 2.63158
51 3B9Q MLI 0.01351 0.46855 2.64901
52 4B9E FAH 0.01181 0.44933 2.65781
53 1YRB GDP 0.04194 0.40426 2.67176
54 3SHR CMP 0.01674 0.41779 2.67559
55 4DYO SD4 0.04498 0.40218 2.68041
56 3A4M ADP 0.01023 0.45588 2.69231
57 1JJ7 ADP 0.02465 0.44298 2.69231
58 4IXW IXW 0.01529 0.42368 2.75591
59 1F3L SAH 0.006174 0.40787 2.80374
60 3BHO B4P 0.007021 0.48344 2.88462
61 3HAZ FAD 0.0005634 0.41907 2.99401
62 3A1I UNU 0.03192 0.40532 2.99401
63 2Q1A 2KT 0.04234 0.41576 3.07167
64 1F1V DHY 0.00506 0.4455 3.09598
65 4COQ SAN 0.005092 0.46173 3.19361
66 1B4P GPS 0.003482 0.4271 3.22581
67 1W3R PYR 0.02544 0.43779 3.24074
68 3F81 STT 0.001937 0.506 3.27869
69 3GTD MLI 0.01544 0.43263 3.3195
70 2OG2 MLI 0.003832 0.50243 3.34262
71 3S9K CIT 0.001743 0.52698 3.38983
72 1WDA BAG 0.001159 0.47449 3.39321
73 2WHX ADP 0.03531 0.42688 3.39321
74 4BQS ADP 0.04512 0.41938 3.40909
75 3GJB AKG 0.00695 0.43924 3.44828
76 2IMF GSH 0.003575 0.41036 3.44828
77 2IMF TOM 0.003575 0.41036 3.44828
78 1ZZ7 S0H 0.0424 0.40719 3.53535
79 3SJU NDP 0.0008257 0.41399 3.58423
80 1V6A TRE 0.005645 0.45371 3.61446
81 1G6O ADP 0.04957 0.40346 3.63636
82 1GOJ ADP 0.04679 0.42635 3.66197
83 4M5P MLA 0.0253 0.45126 3.6855
84 4M5P FMN 0.006029 0.41131 3.6855
85 4L7I SAM 0.01976 0.40079 3.6855
86 2QLX RM4 0.04083 0.4214 3.7037
87 1FWV SGA MAG FUC 0.045 0.41125 3.73134
88 3I8P 840 0.01203 0.4128 3.74707
89 4K30 NLG 0.001995 0.46941 3.75
90 2NCD ADP 0.01169 0.45346 3.80952
91 3D2Y AH0 ALA FGA LYS 0.009426 0.4103 3.83142
92 1RZM E4P 0.001063 0.50301 3.84615
93 1RZM PEP 0.02169 0.42095 3.84615
94 2ORV 4TA 0.005367 0.40424 3.84615
95 4BG1 OGA 0.002266 0.42704 3.87597
96 4BG1 IVL 0.002266 0.42704 3.87597
97 2WK1 SAH 0.008293 0.40617 3.90071
98 4L1F COS 0.008055 0.40085 3.91645
99 3LTW HLZ 0.02468 0.42756 3.92857
100 1VE3 SAM 0.0114 0.40708 3.96476
101 2F2U M77 0.004089 0.44484 3.9801
102 1Y42 TYR 0.007529 0.4425 4.08163
103 2Q09 DI6 0.04185 0.40363 4.08654
104 2NVK NAP 0.01202 0.43299 4.09836
105 4FFS BIG 0.008311 0.40037 4.1841
106 2BH9 NAP 0.01784 0.40579 4.19162
107 2AWN ADP 0.01732 0.45467 4.19948
108 1E5F PLP 0.01298 0.41145 4.20792
109 1GEE NAD 0.0006374 0.41743 4.21456
110 2Y7G AAE 0.001237 0.45306 4.25532
111 1Q11 TYE 0.001517 0.47495 4.30108
112 4HY1 19X 0.04386 0.41628 4.35897
113 1XP8 AGS 0.01492 0.44223 4.37158
114 1YOA FMN 0.02252 0.46231 4.40252
115 2EB5 OXL 0.02056 0.43154 4.49438
116 3MAG 3MA 0.009344 0.47629 4.56026
117 3MAG SAH 0.006633 0.41293 4.56026
118 1JI0 ATP 0.01466 0.44709 4.58333
119 2CBZ ATP 0.01382 0.45587 4.64135
120 1GU3 BGC BGC BGC BGC BGC 0.0008942 0.48565 4.69799
121 3MD0 GDP 0.0007883 0.48205 4.78873
122 1GJW GLC 0.008566 0.4565 4.79042
123 1GJW MAL 0.005657 0.43862 4.79042
124 2JFV FLC 0.004674 0.46358 4.811
125 2R5T ANP 0.0014 0.43478 4.82574
126 1SQ5 PAU 0.004504 0.45292 4.87013
127 1SQ5 ADP 0.0167 0.43161 4.87013
128 3TKA CTN 0.006271 0.47214 4.89914
129 3TKA SAM 0.002114 0.42816 4.89914
130 2WMO GTP 0.02194 0.4054 4.90654
131 2VOS ADP 0.000000004115 0.7191 4.92813
132 1EYE PMM 0.01553 0.41537 5
133 4PPU TYR 0.02524 0.41785 5.03597
134 2C5S AMP 0.00663 0.44017 5.08475
135 2FT0 ACO 0.04305 0.40368 5.10638
136 2FH5 GTP 0.01296 0.40188 5.14019
137 4M51 BEZ 0.005905 0.47168 5.15223
138 1YRO UDP 0.0137 0.46112 5.24476
139 1Z48 FMN 0.004502 0.43021 5.32544
140 1Z44 FMN 0.01617 0.41098 5.32544
141 2GSQ GBI 0.001178 0.43391 5.44554
142 1G3Q ADP 0.02961 0.41847 5.48523
143 1XPJ TLA 0.002999 0.47382 5.55556
144 1SJW NGV 0.01137 0.4138 5.55556
145 3I51 45C 0.02541 0.40612 5.55556
146 2Z1U ATP 0.0194 0.40429 5.58882
147 1BTN I3P 0.0006213 0.56176 5.66038
148 1E4E PHY 0.002718 0.43914 5.8309
149 1E4E ADP 0.01436 0.40319 5.8309
150 3V91 UPG 0.008283 0.40324 5.84192
151 3I0O SMI 0.007328 0.44825 5.8997
152 3I0O ADP 0.00362 0.44717 5.8997
153 1MZV AMP 0.00797 0.43205 5.95745
154 2Y7P SAL 0.008232 0.44069 5.9633
155 1U5R ATP 0.007803 0.42048 6.03448
156 4OI4 ATP 0.02394 0.40258 6.08696
157 1KTC NGA 0.00534 0.44947 6.17284
158 1BW9 PPY 0.0461 0.40511 6.17978
159 1C1X HFA 0.03355 0.41559 6.19718
160 3R51 MMA 0.01426 0.45807 6.25
161 1QD0 RR6 0.003558 0.44287 6.25
162 3MGB PAP 0.03148 0.40213 6.26959
163 3DER ALA LYS 0.009937 0.40325 6.37681
164 3P7I P7I 0.02104 0.42158 6.54206
165 4C6F DOR 0.03253 0.40495 6.61578
166 4C6F NCD 0.03253 0.40495 6.61578
167 1H0C AOA 0.04236 0.42056 6.63265
168 1OYB FMN 0.005397 0.40702 6.75
169 1EJE FMN 0.007503 0.41416 6.77083
170 4OHB 5HM 0.007436 0.42133 6.84211
171 2ZJF BSU 0.0124 0.42357 6.90608
172 1T0S BML 0.008492 0.46328 6.97674
173 1JBW ACQ 0.00000001648 0.47405 7.00935
174 1JBW TMF 0.000000798 0.4398 7.00935
175 2QQ0 THM 0.002073 0.40698 7.06522
176 2QQ0 ADP 0.001419 0.40679 7.06522
177 2QQ0 TMP 0.001419 0.40679 7.06522
178 2QQ0 ANP 0.001532 0.40578 7.06522
179 3DG6 MUC 0.003406 0.4393 7.08447
180 1K6M AGS 0.003119 0.41861 7.17593
181 4Q0A 4OA 0.01445 0.40308 7.28477
182 1KYQ NAD 0.004107 0.42432 7.29927
183 1XE7 GUN 0.009865 0.46695 7.38916
184 1O9U ADZ 0.006275 0.47782 7.42857
185 1MXI SAH 0.00215 0.43522 7.5
186 2FR6 URI 0.005328 0.41993 7.53425
187 2FR6 CTN 0.009482 0.41021 7.53425
188 1CKM GTP 0.004119 0.44954 7.57576
189 1RHC F42 ACN 0.0006307 0.42045 7.57576
190 1WGC SIA GAL BGC 0.002153 0.51296 7.60234
191 1Y75 NAG 0.001188 0.474 7.62712
192 2ZO9 MLI 0.0286 0.40564 7.66423
193 3ZPG 5GP 0.01124 0.46381 7.8534
194 3KO0 TFP 0.02118 0.44926 7.92079
195 3IAE D7K 0.0005063 0.42048 7.98403
196 4J7H TRH 0.000512 0.45505 8.28025
197 4J7H TLO 0.01676 0.40056 8.28025
198 2PP3 LGT 0.02632 0.40206 8.29146
199 1DBT U5P 0.001271 0.44406 8.3682
200 3RF4 FUN 0.02541 0.41772 8.62069
201 3A2Y TS5 0.005704 0.42231 8.62944
202 4HI0 GDP 0.02633 0.40584 8.66142
203 1ULE GLA GAL NAG 0.01124 0.45679 8.66667
204 2YCD GTB 0.01748 0.41315 8.69565
205 2V5E SCR 0.02776 0.44892 8.91089
206 3BY8 MLT 0.005437 0.46665 9.15493
207 1LOR BMP 0.0005255 0.42596 9.21053
208 2XT3 ADP 0.01859 0.44783 9.30233
209 1G6H ADP 0.03243 0.43672 9.33852
210 4BX7 B4F 0.002055 0.41269 9.375
211 2Y6P CTP 0.02248 0.41211 9.40171
212 2YIP YIO 0.03801 0.42207 9.42029
213 3KJQ B94 0.01964 0.41096 9.47368
214 4CVN ADP 0.02621 0.43283 9.48905
215 3CF6 SP1 0.001074 0.45555 9.58084
216 1S8F GDP 0.002391 0.41051 9.60452
217 3CH5 GDP 0.01411 0.41716 9.61539
218 2PR5 FMN 0.00362 0.42645 9.84848
219 2JBH 5GP 0.01825 0.42017 10.2222
220 2O66 FLC 0.001275 0.48476 10.3704
221 1XEX ATP 0.004204 0.40792 10.4651
222 4HSE ADP 0.04303 0.40984 10.8312
223 3UEC ALA ARG TPO LYS 0.0101 0.45283 10.9589
224 1YQT ADP 0.005555 0.4747 10.978
225 4F8L GAL 0.01207 0.4787 11.0345
226 3QDT A2G GAL 0.004088 0.48018 11.8881
227 3QDY A2G GAL 0.006699 0.46876 11.8881
228 3QDY CBS 0.02329 0.43408 11.8881
229 2E1A MSE 0.0003679 0.49703 12
230 2WGC SIA GAL BGC 0.0007698 0.55052 12.2807
231 1ZJ6 G3D 0.003086 0.44552 12.2995
232 2XDQ MGX 0.01214 0.46196 12.3913
233 4M4Q 21A 0.001068 0.42853 12.8631
234 1SS4 CIT 0.002854 0.52906 13.7255
235 1SS4 GSH 0.007208 0.48586 13.7255
236 4OB6 S2T 0.009075 0.4178 13.783
237 1W7J ADP BEF 0.001891 0.44136 13.9073
238 1QDS PGA 0.02247 0.41212 13.9442
239 3JQ3 ADP 0.009461 0.42876 14.4809
240 1C1L GAL BGC 0.0404 0.42164 14.5985
241 1XIU REA 0.01685 0.40356 14.7826
242 2W58 ADP 0.04605 0.42642 15.8416
243 1ECM TSA 0.003891 0.45067 16.5138
244 2YLD CMO 0.01092 0.44526 17.3228
245 2ZR9 DTP 0.03148 0.42057 18.6246
246 3UIE ANP 0.02731 0.41695 19.5
247 1P3D ANP 0.0000000001475 0.79588 20.2105
248 4TO8 FLC 0.02638 0.42318 21.2329
249 2FOI JPA 0.008644 0.4305 21.6667
250 1GQY ACP 0.000000001899 0.77244 22.7368
251 2QCX PF1 0.03987 0.4126 24.7148
252 1W78 PD8 0.00000008118 0.48018 26.7773
253 1W78 ADP 0.000000007966 0.43693 26.7773
Feedback