Receptor
PDB id Resolution Class Description Source Keywords
4PFK 2.4 Å EC: 2.7.1.11 PHOSPHOFRUCTOKINASE. STRUCTURE AND CONTROL GEOBACILLUS STEAROTHERMOPHILUS TRANSFERASE(PHOSPHOTRANSFERASE)
Ref.: PHOSPHOFRUCTOKINASE: STRUCTURE AND CONTROL. PHILOS.TRANS.R.SOC.LONDON, V. 293 53 1981 SER.B
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:324;
A:326;
 Valid;
Valid;
 none;
none;
 submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
F6P A:323;
 Valid;
 none;
 submit data
260.136 C6 H13 O9 P C([C@...
MG A:325;
A:327;
 Part of Protein;
Part of Protein;
 none;
none;
 submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4I7E 2 Å EC: 2.7.1.11 CRYSTAL STRUCTURE OF THE BACILLUS STEAROTHERMOPHILUS PHOSPHOFRUCTOKINASE MUTANT D12A IN COMPLEX WITH PEP BACILLUS STEAROTHERMOPHILUS PHOSPHOFRUCTOKINASE TRANSFERASE
Ref.: REDEFINING THE ROLE OF THE QUATERNARY SHIFT IN BACI STEAROTHERMOPHILUS PHOSPHOFRUCTOKINASE. BIOCHEMISTRY V. 52 5421 2013
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 4I7E Kd = 0.45 uM PEP C3 H5 O6 P C=C(C(=O)O....
2 4I4I Kd = 2.1 uM PEP C3 H5 O6 P C=C(C(=O)O....
3 4PFK - F6P C6 H13 O9 P C([C@@H]1[....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5XZ9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 5XZA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 5XZ7 - F6P C6 H13 O9 P C([C@@H]1[....
4 5XZ8 - F6P C6 H13 O9 P C([C@@H]1[....
5 4I7E Kd = 0.45 uM PEP C3 H5 O6 P C=C(C(=O)O....
6 4I4I Kd = 2.1 uM PEP C3 H5 O6 P C=C(C(=O)O....
7 4PFK - F6P C6 H13 O9 P C([C@@H]1[....
8 1PFK - FBP C6 H14 O12 P2 C([C@@H]1[....
50% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5XZ9 - ATP C10 H16 N5 O13 P3 c1nc(c2c(n....
2 5XZA - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
3 5XZ7 - F6P C6 H13 O9 P C([C@@H]1[....
4 5XZ8 - F6P C6 H13 O9 P C([C@@H]1[....
5 4I7E Kd = 0.45 uM PEP C3 H5 O6 P C=C(C(=O)O....
6 4I4I Kd = 2.1 uM PEP C3 H5 O6 P C=C(C(=O)O....
7 4PFK - F6P C6 H13 O9 P C([C@@H]1[....
8 1PFK - FBP C6 H14 O12 P2 C([C@@H]1[....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ADP; Similar ligands found: 520
No: Ligand ECFP6 Tc MDL keys Tc
1 ADP 1 1
2 ATP 0.9 1
3 HEJ 0.9 1
4 A2D 0.895522 0.971831
5 AQP 0.887324 1
6 5FA 0.887324 1
7 B4P 0.884058 0.971831
8 AP5 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 AD9 0.8 0.972222
22 AGS 0.8 0.945946
23 AMP MG 0.785714 0.929577
24 CA0 0.783784 0.945205
25 ADX 0.783784 0.873418
26 TAT 0.779221 0.958904
27 T99 0.779221 0.958904
28 50T 0.773333 0.958333
29 KG4 0.773333 0.945205
30 45A 0.763889 0.917808
31 ABM 0.763889 0.917808
32 APC 0.763158 0.958904
33 PRX 0.763158 0.893333
34 HQG 0.7625 0.985915
35 ATF 0.759494 0.958904
36 A22 0.753086 0.985915
37 ADP BEF 0.746667 0.943662
38 ADP MG 0.746667 0.943662
39 A12 0.743243 0.958904
40 AP2 0.743243 0.958904
41 SRA 0.736111 0.918919
42 ADQ 0.73494 0.945205
43 25L 0.732558 0.985915
44 5AL 0.725 0.931507
45 8LE 0.725 0.894737
46 2A5 0.717949 0.918919
47 A1R 0.714286 0.907895
48 AU1 0.714286 0.972222
49 A3R 0.714286 0.907895
50 APC MG 0.708861 0.917808
51 ATR 0.708861 0.971429
52 PAP 0.708861 0.985714
53 ATP MG 0.708861 0.943662
54 ADP PO3 0.708861 0.943662
55 8LH 0.707317 0.906667
56 SRP 0.707317 0.906667
57 7D3 0.706667 0.905405
58 JNT 0.705882 0.945205
59 OZV 0.702381 0.971831
60 25A 0.702381 0.971831
61 BEF ADP 0.7 0.917808
62 OAD 0.697674 0.945205
63 9X8 0.697674 0.92
64 8LQ 0.690476 0.906667
65 QA7 0.690476 0.894737
66 RBY 0.6875 0.932432
67 ADV 0.6875 0.932432
68 00A 0.686047 0.883117
69 5SV 0.682353 0.848101
70 OOB 0.682353 0.931507
71 8QN 0.682353 0.931507
72 3OD 0.681818 0.945205
73 BIS 0.681818 0.933333
74 ANP MG 0.674699 0.931507
75 VO4 ADP 0.674699 0.945205
76 ALF ADP 0.674699 0.87013
77 AMO 0.674419 0.932432
78 4AD 0.674419 0.92
79 PAJ 0.674419 0.884615
80 GAP 0.670732 0.893333
81 MAP 0.670588 0.945946
82 DLL 0.666667 0.931507
83 AHX 0.666667 0.896104
84 PTJ 0.662921 0.896104
85 V2G 0.662651 0.896104
86 KMQ 0.659341 0.932432
87 3UK 0.659091 0.918919
88 SON 0.658228 0.932432
89 LMS 0.653333 0.82716
90 B5V 0.651685 0.906667
91 WAQ 0.651685 0.883117
92 LAD 0.651685 0.860759
93 PR8 0.651685 0.85
94 7D4 0.65 0.905405
95 ITT 0.65 0.943662
96 G5P 0.648936 0.921053
97 RAB 0.647059 0.84507
98 XYA 0.647059 0.84507
99 ADN 0.647059 0.84507
100 ME8 0.644444 0.839506
101 TXA 0.644444 0.932432
102 NB8 0.644444 0.896104
103 FYA 0.644444 0.905405
104 1ZZ 0.644444 0.839506
105 6AD 0.642857 0.909091
106 ADP BMA 0.640449 0.918919
107 G3A 0.638298 0.921053
108 DAL AMP 0.632184 0.905405
109 AFH 0.631579 0.884615
110 9SN 0.630435 0.871795
111 9ZA 0.625 0.907895
112 DQV 0.625 0.958333
113 GTA 0.625 0.886076
114 9ZD 0.625 0.907895
115 FA5 0.623656 0.906667
116 B5M 0.623656 0.894737
117 B5Y 0.623656 0.894737
118 UP5 0.622449 0.92
119 CUU 0.621951 0.971831
120 NO7 0.62069 0.932432
121 JSQ 0.619048 0.945946
122 HFD 0.619048 0.945946
123 XAH 0.617021 0.839506
124 AV2 0.616279 0.917808
125 AOC 0.615385 0.821918
126 48N 0.612245 0.896104
127 4UV 0.610526 0.894737
128 NAX 0.606061 0.873418
129 DND 0.606061 0.932432
130 TXD 0.606061 0.907895
131 NAI 0.606061 0.907895
132 6V0 0.606061 0.896104
133 5N5 0.605634 0.819444
134 5AS 0.604938 0.77907
135 A4P 0.60396 0.843373
136 DAT 0.60241 0.905405
137 A2R 0.602273 0.985915
138 OMR 0.6 0.851852
139 TXE 0.6 0.907895
140 GA7 0.597938 0.906667
141 4UU 0.597938 0.894737
142 5CD 0.597222 0.805556
143 A4D 0.597222 0.819444
144 L3W 0.594059 0.932432
145 AP0 0.594059 0.896104
146 4TC 0.594059 0.896104
147 A3P 0.592593 0.971429
148 T5A 0.592233 0.841463
149 139 0.592233 0.873418
150 7D5 0.592105 0.878378
151 ATP A A A 0.589474 0.930556
152 ATP A 0.589474 0.930556
153 LAQ 0.585859 0.839506
154 MYR AMP 0.585106 0.817073
155 H1Q 0.583333 0.90411
156 F2R 0.580952 0.864198
157 YLP 0.58 0.819277
158 UPA 0.578431 0.907895
159 7DD 0.578313 0.985714
160 3AM 0.576923 0.929577
161 ADJ 0.576923 0.851852
162 NAD 0.575472 0.931507
163 COD 0.575472 0.811765
164 3AT 0.574713 0.971831
165 JB6 0.574468 0.883117
166 4UW 0.574257 0.860759
167 EP4 0.573333 0.753247
168 A2P 0.573171 0.957143
169 CNA 0.571429 0.932432
170 TYM 0.568627 0.906667
171 PPS 0.568182 0.873418
172 DTA 0.565789 0.786667
173 M2T 0.565789 0.734177
174 AR6 AR6 0.565657 0.917808
175 80F 0.564815 0.841463
176 A3D 0.564815 0.918919
177 3DH 0.564103 0.773333
178 G5A 0.563218 0.77907
179 YLB 0.563107 0.819277
180 YLC 0.563107 0.839506
181 AMP DBH 0.561224 0.893333
182 MTA 0.558442 0.773333
183 DTP 0.556818 0.905405
184 AHZ 0.554455 0.817073
185 NA7 0.553191 0.958904
186 IOT 0.552381 0.831325
187 ARG AMP 0.55 0.829268
188 ZAS 0.55 0.766234
189 7MD 0.55 0.8625
190 IMO 0.548781 0.929577
191 YLA 0.54717 0.819277
192 NAE 0.544643 0.894737
193 TAD 0.544554 0.884615
194 A5A 0.544444 0.807229
195 2AM 0.544304 0.943662
196 TSB 0.543478 0.819277
197 6RE 0.54321 0.759494
198 6MZ 0.542169 0.930556
199 AYB 0.542056 0.809524
200 NAQ 0.539823 0.871795
201 V3L 0.539326 0.971831
202 AF3 ADP 3PG 0.538462 0.8375
203 ALF ADP 3PG 0.538462 0.8375
204 SSA 0.538462 0.8
205 ZID 0.535088 0.918919
206 LPA AMP 0.533981 0.817073
207 NAD IBO 0.533333 0.917808
208 NAD TDB 0.533333 0.917808
209 VMS 0.532609 0.788235
210 54H 0.532609 0.788235
211 52H 0.532609 0.77907
212 BTX 0.53211 0.841463
213 A3N 0.53012 0.786667
214 J7C 0.53012 0.769231
215 5X8 0.528736 0.763158
216 BT5 0.527273 0.831325
217 53H 0.526882 0.77907
218 8X1 0.526882 0.752809
219 5CA 0.526882 0.8
220 ARU 0.526316 0.860759
221 EAD 0.525862 0.873418
222 RGT 0.525253 0.958904
223 OVE 0.52439 0.905405
224 S4M 0.52381 0.666667
225 7DT 0.522727 0.985714
226 DDS 0.522222 0.878378
227 GDP 0.522222 0.92
228 38V 0.521739 0.886076
229 AVV 0.521277 0.896104
230 NDE 0.521008 0.932432
231 LEU LMS 0.520833 0.730337
232 7MC 0.518868 0.841463
233 DSH 0.518072 0.725
234 MAO 0.517647 0.759036
235 LSS 0.515789 0.761364
236 DSZ 0.515789 0.8
237 NSS 0.515789 0.8
238 P5A 0.515464 0.744444
239 DZD 0.513514 0.884615
240 NWW 0.513158 0.760563
241 O02 0.511111 0.921053
242 NVA LMS 0.510417 0.752809
243 9K8 0.510204 0.714286
244 12D 0.509615 0.785714
245 YLY 0.508772 0.809524
246 M24 0.508772 0.85
247 P1H 0.508333 0.851852
248 5AD 0.506849 0.746479
249 GJV 0.505882 0.75
250 AMP NAD 0.504505 0.905405
251 4TA 0.504505 0.807229
252 NAJ PZO 0.504425 0.848101
253 D4F 0.504348 0.839506
254 KAA 0.5 0.752809
255 GSU 0.5 0.77907
256 71V 0.5 0.907895
257 7D7 0.5 0.743243
258 A3G 0.5 0.8
259 128 0.5 0.776471
260 NDC 0.5 0.871795
261 N0B 0.495726 0.819277
262 NJP 0.495495 0.945946
263 ODP 0.495495 0.909091
264 K3K 0.49505 0.802632
265 2SA 0.494624 0.932432
266 6C6 0.494505 0.881579
267 SFG 0.494382 0.75
268 0WD 0.491071 0.921053
269 LQJ 0.490196 0.917808
270 B1U 0.490196 0.736264
271 YSA 0.490196 0.77907
272 PO4 PO4 A A A A PO4 0.489796 0.902778
273 SAM 0.48913 0.690476
274 6IA 0.48913 0.8375
275 A7D 0.488636 0.776316
276 6FA 0.488 0.841463
277 FB0 0.487805 0.804598
278 NAJ PYZ 0.487179 0.807229
279 J4G 0.484848 0.92
280 A5D 0.483516 0.786667
281 IDP 0.483516 0.918919
282 SA8 0.483516 0.707317
283 PGS 0.483146 0.883117
284 MHZ 0.483146 0.697674
285 DA 0.482353 0.878378
286 NEC 0.482353 0.746667
287 D5M 0.482353 0.878378
288 NIA 0.481928 0.822785
289 Y3J 0.480519 0.726027
290 8PZ 0.480392 0.8
291 FAD 0.480315 0.851852
292 FAS 0.480315 0.851852
293 FDA 0.48 0.833333
294 N6P 0.479592 0.915493
295 GGZ 0.479167 0.825
296 SAI 0.478261 0.734177
297 SAH 0.478261 0.74359
298 NPW 0.477477 0.886076
299 NDP 0.477477 0.921053
300 AAM 0.476744 0.971429
301 AMZ 0.47561 0.916667
302 C2R 0.47561 0.90411
303 SMM 0.473684 0.686047
304 GTP 0.473684 0.92
305 NZQ 0.473214 0.909091
306 TXP 0.473214 0.921053
307 A3S 0.47191 0.810811
308 K3E 0.471154 0.792208
309 NWQ 0.46988 0.739726
310 SFD 0.46875 0.734043
311 AIR 0.468354 0.901408
312 AAT 0.468085 0.707317
313 EEM 0.468085 0.690476
314 7C5 0.466667 0.818182
315 Z5A 0.466667 0.77907
316 J7V 0.466667 0.833333
317 62F 0.465649 0.8625
318 N5O 0.465116 0.763158
319 HDV 0.463158 0.893333
320 KOY 0.462963 0.802632
321 FAY 0.462121 0.8625
322 DCA 0.461538 0.823529
323 A3T 0.461538 0.821918
324 ETB 0.461538 0.833333
325 A6D 0.46 0.722892
326 6K6 0.459184 0.930556
327 QXP 0.459184 0.785714
328 GEK 0.459184 0.7375
329 RFL 0.458647 0.821429
330 S7M 0.458333 0.690476
331 V47 0.458333 0.783784
332 NAP 0.458333 0.945205
333 4YB 0.457944 0.761364
334 CZF 0.457447 0.931507
335 TAP 0.454545 0.907895
336 N5A 0.454545 0.736842
337 FNK 0.454545 0.804598
338 WSA 0.454545 0.788235
339 COA 0.453782 0.823529
340 0T1 0.453782 0.823529
341 101 0.453488 0.878378
342 QBQ 0.452632 0.906667
343 DZ4 0.452632 0.881579
344 XNP 0.452174 0.873418
345 K2R 0.45098 0.88
346 NA0 0.45082 0.932432
347 7RP 0.448276 0.928571
348 K2W 0.447619 0.740741
349 GP3 0.446809 0.921053
350 TM1 0.446602 0.77381
351 APU 0.446429 0.894737
352 KL2 0.445783 0.837838
353 QXG 0.445545 0.776471
354 PUA 0.445378 0.884615
355 V1N 0.443396 0.917808
356 7RA 0.443182 0.957747
357 CAO 0.442623 0.795455
358 30N 0.442623 0.752688
359 COS 0.442623 0.804598
360 AMX 0.442623 0.833333
361 K38 0.442308 0.779221
362 QQY 0.44186 0.815789
363 ACK 0.44186 0.861111
364 649 0.441441 0.744444
365 R2V 0.441176 0.785714
366 0UM 0.44 0.698795
367 NHD 0.439655 0.905405
368 SCO 0.439024 0.823529
369 CMX 0.439024 0.823529
370 GCP 0.438776 0.896104
371 8BR 0.438202 0.906667
372 GNH 0.4375 0.907895
373 3AD 0.4375 0.805556
374 8Q2 0.4375 0.772727
375 O05 0.436893 0.843373
376 NVA 2AD 0.43617 0.759494
377 62X 0.435644 0.666667
378 K2H 0.435644 0.75641
379 ACO 0.435484 0.795455
380 FAM 0.435484 0.804598
381 FCX 0.435484 0.795455
382 9JJ 0.434783 0.8625
383 KY2 0.434343 0.731707
384 9GM 0.434343 0.896104
385 GNP 0.434343 0.896104
386 K3H 0.433962 0.75
387 NMX 0.433071 0.76087
388 MGP 0.43299 0.884615
389 26A 0.432099 0.763158
390 HAX 0.432 0.804598
391 K15 0.431373 0.682353
392 9BG 0.431034 0.896104
393 DG1 0.430894 0.921053
394 1DG 0.430894 0.921053
395 QQX 0.430233 0.805195
396 2VA 0.430108 0.8
397 S8M 0.43 0.759494
398 2MC 0.429688 0.769231
399 PLP AAD 0.428571 0.733333
400 6G0 0.428571 0.884615
401 3KK 0.428571 0.804598
402 P5F 0.428571 0.823529
403 NAD BBN 0.428571 0.841463
404 FYN 0.428571 0.823529
405 KGA 0.427481 0.744681
406 7L1 0.427419 0.795455
407 K2K 0.427184 0.7375
408 NX8 0.427083 0.716049
409 RMB 0.426966 0.873239
410 AS 0.426966 0.833333
411 FAI 0.426966 0.916667
412 KGJ 0.426357 0.752688
413 KYB 0.425743 0.731707
414 1RB 0.425287 0.885714
415 KGP 0.425197 0.729167
416 OXK 0.425197 0.804598
417 COK 0.425197 0.804598
418 SOP 0.425197 0.804598
419 MCD 0.425197 0.804598
420 CA6 0.425197 0.729167
421 YZS 0.425197 0.729167
422 G1R 0.424242 0.907895
423 CC5 0.423077 0.816901
424 SXZ 0.423077 0.710843
425 F2N 0.422535 0.813953
426 NAD CJ3 0.422222 0.811765
427 EO7 0.422222 0.788235
428 ANZ 0.422018 0.8
429 CMC 0.421875 0.804598
430 CO6 0.421875 0.804598
431 1VU 0.421875 0.795455
432 ZDA 0.421053 0.864865
433 GKE 0.420561 0.884615
434 GDC 0.420561 0.884615
435 GDD 0.420561 0.884615
436 NFD 0.420168 0.883117
437 GSP 0.42 0.873418
438 D3Y 0.42 0.789474
439 MC4 0.419847 0.76087
440 3D1 0.419753 0.773333
441 3L1 0.419753 0.773333
442 FA9 0.41958 0.864198
443 G 0.419355 0.906667
444 5GP 0.419355 0.906667
445 KB1 0.419048 0.698795
446 KY5 0.419048 0.725
447 SCD 0.418605 0.823529
448 CAJ 0.418605 0.804598
449 2BA 0.417582 0.915493
450 CMP 0.417582 0.901408
451 SO8 0.416667 0.789474
452 VRT 0.416667 0.769231
453 KFV 0.416667 0.736842
454 N01 0.416667 0.905405
455 1HE 0.415385 0.786517
456 3HC 0.415385 0.813953
457 BCO 0.415385 0.804598
458 MLC 0.415385 0.804598
459 IVC 0.415385 0.813953
460 A1S 0.415385 0.804598
461 NMN AMP PO4 0.415254 0.87013
462 2FA 0.414634 0.813333
463 MGO 0.414141 0.860759
464 FAJ 0.413793 0.831325
465 3NZ 0.413462 0.782051
466 KY8 0.413462 0.728395
467 Q34 0.412281 0.674419
468 LCV 0.412214 0.721649
469 COO 0.412214 0.804598
470 MCA 0.412214 0.795455
471 CAA 0.412214 0.813953
472 SO5 0.412214 0.721649
473 YE1 0.412214 0.813953
474 GAV 0.411765 0.884615
475 PRT 0.411215 0.931507
476 JLN 0.411111 0.890411
477 P2P 0.411111 0.902778
478 OZP 0.410714 0.728395
479 NWZ 0.410526 0.703704
480 ZZB 0.410256 0.77381
481 CNV FAD 0.410072 0.793103
482 YXR 0.409091 0.729167
483 2CP 0.409091 0.795455
484 YXS 0.409091 0.729167
485 SCA 0.409091 0.804598
486 SP1 0.409091 0.842105
487 RP1 0.409091 0.842105
488 103 0.409091 0.837838
489 PAX 0.408 0.829268
490 KYE 0.407407 0.714286
491 FAD NBT 0.407143 0.75
492 BYC 0.406015 0.804598
493 1GZ 0.406015 0.795455
494 IRC 0.406015 0.813953
495 CA8 0.406015 0.729167
496 3CP 0.406015 0.804598
497 COW 0.406015 0.795455
498 HGG 0.406015 0.804598
499 COF 0.406015 0.786517
500 2KQ 0.406015 0.786517
501 G2P 0.405941 0.884615
502 KXW 0.405405 0.707317
503 SLU 0.404959 0.770115
504 RBZ 0.404494 0.849315
505 1CZ 0.404412 0.795455
506 Q2P 0.403361 0.674419
507 COA FLC 0.403226 0.790698
508 FAQ 0.402985 0.804598
509 BCA 0.402985 0.795455
510 4CA 0.402985 0.795455
511 MTP 0.402439 0.730769
512 8OD 0.402062 0.945205
513 HZ2 0.401786 0.731707
514 CO7 0.401515 0.804598
515 ENQ 0.4 0.916667
516 GMV 0.4 0.896104
517 HXC 0.4 0.786517
518 G2R 0.4 0.884615
519 GRA 0.4 0.804598
520 HF7 0.4 0.893333
Ligand no: 2; Ligand: F6P; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 TA6 1 1
2 F6P 1 1
3 FBP 0.666667 0.954545
4 AFP 0.666667 0.954545
5 SF6 0.564103 0.744186
6 FRU 0.564103 0.744186
7 PSV 0.564103 0.744186
8 LFR 0.564103 0.744186
9 SF9 0.564103 0.744186
10 FDP 0.55102 0.954545
11 F1X 0.531915 1
12 QIF 0.489796 0.787234
13 FRU FRU FRU FRU 0.464286 0.755556
14 FRU FRU FRU 0.464286 0.755556
15 Z9N GLC 0.45614 0.73913
16 S7P 0.444444 0.976744
17 AHG 0.431818 0.886364
18 ABF 0.404255 0.906977
19 HSX 0.404255 0.906977
20 RP5 0.404255 0.906977
Similar Ligands (3D)
Ligand no: 1; Ligand: ADP; Similar ligands found: 65
No: Ligand Similarity coefficient
1 BMQ 1.0000
2 ADP ALF 0.9881
3 ADP AF3 0.9881
4 ADP VO4 0.9881
5 DGI 0.9763
6 GDP MG 0.9684
7 GDP BEF 0.9644
8 ALF GDP 0.9644
9 GDP ALF 0.9644
10 BEF GDP 0.9610
11 GDP AF3 0.9610
12 NYZ 0.9560
13 M7G 0.9527
14 GP2 0.9485
15 UDP 0.9410
16 G8D 0.9364
17 TYD 0.9340
18 CDP 0.9333
19 GCQ 0.9290
20 8GD 0.9252
21 CDP MG 0.9246
22 DUD 0.9233
23 YYY 0.9230
24 D4D 0.9127
25 KB7 0.9099
26 DUN 0.9081
27 TBD 0.9046
28 IMP 0.9020
29 IRP 0.8992
30 MGT 0.8986
31 FMP 0.8980
32 UDP UDP 0.8979
33 G3D 0.8938
34 UC5 0.8921
35 ALF 5GP 0.8902
36 7XL 0.8868
37 GTP MG 0.8843
38 XMP 0.8838
39 IMU 0.8829
40 MOD 0.8822
41 C8M 0.8795
42 A8M 0.8784
43 8OP 0.8777
44 DG 0.8750
45 DGP 0.8750
46 MSP 0.8735
47 G7M 0.8734
48 6MA 0.8734
49 6CG 0.8732
50 PFU 0.8701
51 FZT 0.8697
52 DBG 0.8693
53 DGT 0.8685
54 FZQ 0.8683
55 MZP 0.8680
56 93A 0.8679
57 S3N 0.8673
58 0RC 0.8661
59 TKW 0.8651
60 5FU 0.8637
61 FNU 0.8616
62 FZK 0.8607
63 UTP 0.8603
64 UP6 0.8572
65 NMN 0.8537
Ligand no: 2; Ligand: F6P; Similar ligands found: 438
No: Ligand Similarity coefficient
1 M6P 0.9518
2 G6P 0.9506
3 GLP 0.9456
4 M6D 0.9452
5 D6G 0.9396
6 3LJ 0.9318
7 TU0 0.9304
8 BG6 0.9272
9 NPL 0.9245
10 PLP 0.9203
11 PLR 0.9200
12 F1P 0.9186
13 A6P 0.9184
14 UFO 0.9164
15 4R1 0.9129
16 APZ 0.9123
17 GJK 0.9118
18 PTS 0.9115
19 PMP 0.9102
20 PXP 0.9099
21 C9M 0.9077
22 FER 0.9070
23 GRF 0.9065
24 6ME 0.9041
25 PAL 0.9027
26 I6G 0.9024
27 SSY 0.9021
28 N88 0.9019
29 QX4 0.9018
30 RGG 0.9016
31 MP5 0.9014
32 XQK 0.9010
33 20J 0.9008
34 2D3 0.9006
35 N7I 0.9006
36 MOK 0.9002
37 8W9 0.8997
38 1VQ 0.8995
39 LRW 0.8993
40 YO5 0.8988
41 SYR 0.8988
42 AZY 0.8977
43 PZP 0.8977
44 PLP PMP 0.8977
45 CIY 0.8969
46 9C2 0.8966
47 PH2 0.8961
48 DQU 0.8959
49 PA5 0.8959
50 A5P 0.8958
51 C9E 0.8956
52 RP3 0.8951
53 STT 0.8948
54 SXS 0.8946
55 HE8 0.8945
56 IL5 0.8943
57 4TP 0.8938
58 GM7 0.8938
59 GJS 0.8935
60 5WM 0.8933
61 NIY 0.8933
62 5WN 0.8931
63 IOP 0.8930
64 HBO 0.8930
65 I2E 0.8929
66 R1P 0.8929
67 OTW 0.8927
68 1QV 0.8923
69 GZ8 0.8923
70 QR2 0.8920
71 QAT 0.8918
72 CTN 0.8916
73 JVA 0.8911
74 GT1 0.8908
75 4V6 0.8904
76 3TJ 0.8902
77 GPM 0.8902
78 GL6 0.8902
79 CWS 0.8901
80 B62 0.8900
81 BGP 0.8899
82 8CM 0.8899
83 6PR 0.8898
84 39O 0.8896
85 3Z8 0.8895
86 QAS 0.8894
87 V2Z 0.8891
88 N8Y 0.8891
89 R5P 0.8890
90 KUF 0.8890
91 FDR 0.8888
92 IPD 0.8887
93 0P6 0.8885
94 DXP 0.8884
95 44W 0.8883
96 MVN 0.8883
97 G1P 0.8880
98 LXP 0.8879
99 M1P 0.8877
100 5SP 0.8874
101 CKU 0.8874
102 HHR 0.8873
103 14W 0.8872
104 GFP 0.8868
105 KWB 0.8868
106 B5D 0.8867
107 XHP 0.8864
108 7WR 0.8863
109 OSB 0.8862
110 TRP 0.8862
111 HQD 0.8861
112 RCV 0.8860
113 DPZ 0.8859
114 PMV 0.8858
115 DNA 0.8858
116 GDE 0.8855
117 Q71 0.8854
118 V1T 0.8852
119 VK3 0.8852
120 YTX 0.8842
121 49N 0.8841
122 Q77 0.8841
123 KT7 0.8841
124 0FO 0.8840
125 DHC 0.8836
126 44V 0.8833
127 5P3 0.8830
128 NFZ 0.8829
129 2FQ 0.8829
130 2V0 0.8828
131 9BF 0.8826
132 TYU 0.8824
133 L7T 0.8823
134 2GQ 0.8823
135 0FK 0.8821
136 BEA 0.8821
137 NBG 0.8819
138 CLZ 0.8818
139 M7P 0.8816
140 YQA 0.8813
141 5VJ 0.8813
142 IBM 0.8812
143 KGK 0.8808
144 O2Y 0.8808
145 8MO 0.8807
146 X04 0.8804
147 NHT 0.8804
148 JKZ 0.8804
149 MRU 0.8802
150 2K8 0.8801
151 9F8 0.8800
152 8HC 0.8798
153 R52 0.8797
154 F69 0.8797
155 6NZ 0.8793
156 JR2 0.8793
157 BPU 0.8790
158 PBG 0.8790
159 CR1 0.8790
160 EGR 0.8787
161 QMS 0.8786
162 URC 0.8786
163 VXX 0.8781
164 D5X 0.8780
165 GC3 0.8779
166 UFV 0.8778
167 60Q 0.8776
168 9GP 0.8775
169 H5B 0.8775
170 AC2 0.8774
171 URI 0.8774
172 DAH 0.8774
173 FLV 0.8773
174 4FE 0.8771
175 NAG 0.8771
176 6DP 0.8769
177 VM1 0.8766
178 97T 0.8766
179 M3Q 0.8765
180 4Z9 0.8764
181 NLQ 0.8764
182 5OO 0.8763
183 49O 0.8762
184 DER 0.8761
185 P80 0.8760
186 LT8 0.8760
187 STV 0.8758
188 5NS 0.8758
189 EJZ 0.8758
190 5GT 0.8758
191 SG2 0.8757
192 TQU 0.8754
193 Z5P 0.8753
194 5RP 0.8753
195 LSQ 0.8752
196 5F8 0.8752
197 HKD 0.8752
198 HPT 0.8751
199 H35 0.8751
200 RVE 0.8751
201 JV4 0.8750
202 PRF 0.8749
203 AMG 0.8749
204 49P 0.8745
205 61O 0.8744
206 G6Q 0.8744
207 AMR 0.8744
208 LTN 0.8744
209 MTS 0.8743
210 4XV 0.8743
211 JTH 0.8743
212 1Z8 0.8739
213 DEE 0.8738
214 GCB 0.8737
215 HHS 0.8736
216 LDR 0.8735
217 GCU 0.8734
218 N2M 0.8734
219 OA3 0.8733
220 Q5M 0.8733
221 DNC 0.8731
222 U7E 0.8730
223 5FL 0.8730
224 KFH 0.8730
225 SXX 0.8729
226 ALA PRO 0.8728
227 26E 0.8728
228 7ZL 0.8727
229 P4L 0.8727
230 ZYR 0.8726
231 2OR 0.8725
232 6HP 0.8724
233 86J 0.8723
234 GTR 0.8722
235 R10 0.8722
236 HLZ 0.8721
237 M3N 0.8719
238 QSH 0.8719
239 0LO 0.8717
240 SNR 0.8716
241 F6R 0.8714
242 VNL 0.8713
243 RDY 0.8713
244 8U3 0.8712
245 FA6 0.8712
246 CBF 0.8711
247 LEL 0.8711
248 BDP 0.8710
249 2HC 0.8708
250 EXD 0.8708
251 78P 0.8707
252 5F5 0.8707
253 GC2 0.8706
254 2UZ 0.8706
255 DXK 0.8705
256 AVA 0.8704
257 LSA 0.8703
258 4ME 0.8701
259 GTC 0.8701
260 MBG 0.8700
261 23J 0.8699
262 3IL 0.8699
263 EWG 0.8699
264 F40 0.8698
265 RXA 0.8698
266 363 0.8696
267 LZ2 0.8696
268 92P 0.8695
269 28N 0.8695
270 1X4 0.8691
271 6PG 0.8691
272 ZIP 0.8690
273 P7Y 0.8685
274 RKV 0.8684
275 KTW 0.8683
276 MWP 0.8683
277 BM3 0.8682
278 SYA 0.8682
279 DG2 0.8681
280 DHK 0.8680
281 1N4 0.8678
282 GO8 0.8678
283 M0Q 0.8676
284 5E5 0.8676
285 IOS 0.8674
286 495 0.8673
287 0F9 0.8673
288 4KL 0.8671
289 GYP 0.8669
290 M3L 0.8669
291 KDN 0.8668
292 NQ 0.8668
293 IPT 0.8667
294 K3Q 0.8666
295 SQP 0.8666
296 TB8 0.8665
297 ZZU 0.8663
298 6Q3 0.8663
299 2UD 0.8662
300 6J5 0.8662
301 J9Q 0.8662
302 B41 0.8659
303 5FN 0.8657
304 EVA 0.8657
305 MPK 0.8657
306 61M 0.8657
307 L22 0.8655
308 MIL 0.8655
309 0N7 0.8654
310 JF1 0.8652
311 NTF 0.8651
312 DCZ 0.8651
313 DUR 0.8648
314 DIN 0.8648
315 R8V 0.8648
316 0W1 0.8646
317 4XS 0.8646
318 7I2 0.8645
319 AHL 0.8643
320 GOX 0.8642
321 NPA 0.8641
322 3D8 0.8639
323 YOF 0.8637
324 XXG 0.8636
325 I4D 0.8636
326 DI6 0.8634
327 NOK 0.8634
328 HMQ 0.8634
329 YIP 0.8633
330 I5A 0.8633
331 KYA 0.8632
332 MUR 0.8631
333 Q6T 0.8630
334 F5C 0.8629
335 ONR 0.8629
336 57O 0.8628
337 KYN 0.8627
338 APS 0.8624
339 MRW 0.8624
340 293 0.8620
341 ALE 0.8619
342 8XQ 0.8619
343 TZP 0.8618
344 AEH 0.8618
345 4XF 0.8614
346 MMS 0.8613
347 ESI 0.8612
348 OMD 0.8612
349 4U7 0.8612
350 ZME 0.8611
351 B4O 0.8609
352 CFA 0.8608
353 KBR 0.8608
354 289 0.8607
355 ZEZ 0.8607
356 EQA 0.8605
357 PW1 0.8605
358 1QP 0.8604
359 9PY 0.8604
360 PRZ 0.8603
361 9KT 0.8601
362 FXH 0.8601
363 3C5 0.8601
364 IYR 0.8600
365 4NO 0.8599
366 NQH 0.8599
367 TZM 0.8599
368 ZEA 0.8599
369 IVL 0.8597
370 GLS 0.8596
371 C1F 0.8596
372 H7Y 0.8595
373 GL1 0.8595
374 CHQ 0.8594
375 7ZE 0.8593
376 MUX 0.8592
377 4TU 0.8592
378 3Y7 0.8591
379 BP7 0.8591
380 8NX 0.8589
381 TWO 0.8587
382 OX2 0.8584
383 878 0.8584
384 X6W 0.8582
385 A1Y 0.8582
386 BY5 0.8582
387 MT8 0.8580
388 091 0.8580
389 CKX 0.8579
390 ZEC 0.8577
391 7ME 0.8576
392 8TX 0.8576
393 JF2 0.8576
394 8G6 0.8575
395 KLV 0.8574
396 2O6 0.8574
397 AX3 0.8573
398 5QX 0.8572
399 4BX 0.8571
400 4HC 0.8571
401 J9W 0.8570
402 5TO 0.8569
403 4GP 0.8568
404 8NB 0.8567
405 X48 0.8566
406 XM5 0.8565
407 R9Y 0.8565
408 ZON 0.8565
409 RBV 0.8563
410 BGT 0.8563
411 HNQ 0.8563
412 DX3 0.8562
413 3SU 0.8562
414 QIV 0.8561
415 2KA 0.8561
416 ADA 0.8560
417 LL1 0.8558
418 96Z 0.8558
419 GZ2 0.8556
420 5WY 0.8554
421 ROI 0.8551
422 W8G 0.8550
423 1FE 0.8549
424 GAL 0.8549
425 2LT 0.8548
426 16G 0.8543
427 ACE PHE 0.8543
428 C4E 0.8542
429 S6P 0.8540
430 K2P 0.8539
431 680 0.8538
432 F06 0.8536
433 0FN 0.8536
434 DBX 0.8534
435 CL9 0.8523
436 SRO 0.8522
437 ASE 0.8521
438 SER PRO 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4I7E; Ligand: PEP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 4i7e.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4I7E; Ligand: PEP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 4i7e.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4I7E; Ligand: PEP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 4i7e.bio1) has 14 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4I7E; Ligand: PEP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 4i7e.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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