Receptor
PDB id Resolution Class Description Source Keywords
2CGJ 2.26 Å EC: 2.7.1.5 CRYSTAL STRUCTURE OF L-RHAMNULOSE KINASE FROM ESCHERICHIA CO COMPLEX WITH L-FRUCTOSE AND ADP. ESCHERICHIA COLI TRANSFERASE L-RHAMNULOSE KINASE RHAMNOSE DEGRADATION HEXOHSP70- ACTIN SUPERFAMILY INDUCED FIT IN-LINE PHOSPHORYL TKINASE RHAMNOSE METABOLISM
Ref.: STRUCTURE AND REACTION MECHANISM OF L-RHAMNULOSE KI ESCHERICHIA COLI. J.MOL.BIOL. V. 359 787 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ADP A:1482;
 Valid;
 none;
 submit data
427.201 C10 H15 N5 O10 P2 c1nc(...
LFR A:1481;
 Valid;
 none;
 submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UYT 1.55 Å EC: 2.7.1.5 STRUCTURE OF L-RHAMNULOSE KINASE IN COMPLEX WITH ADP AND BET RHAMNULOSE. ESCHERICHIA COLI BL21(DE3) RHAMNOSE DEGRADATION IN-LINE PHOSPHORYL TRANSFER HEXOKINASACTIN SUPERFAMILY L-RHAMNULOSE KINASE RHAMNOSE METABOLISMINDUCED FIT TRANSFERASE RARE SUGARS
Ref.: SUBSTRATE SPECTRUM OF L-RHAMNULOSE KINASE RELATED T DERIVED FROM TWO TERNARY COMPLEX STRUCTURES. FEBS LETT. V. 581 3127 2007
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UYT - LRH C6 H12 O5 C[C@H]1[C@....
2 2CGL - LFR C6 H12 O6 C([C@H]1[C....
3 2CGJ - LFR C6 H12 O6 C([C@H]1[C....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UYT - LRH C6 H12 O5 C[C@H]1[C@....
2 2CGL - LFR C6 H12 O6 C([C@H]1[C....
3 2CGJ - LFR C6 H12 O6 C([C@H]1[C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UYT - LRH C6 H12 O5 C[C@H]1[C@....
2 2CGL - LFR C6 H12 O6 C([C@H]1[C....
3 2CGJ - LFR C6 H12 O6 C([C@H]1[C....
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: LFR; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 SF9 1 1
2 SF6 1 1
3 LFR 1 1
4 PSV 1 1
5 FRU 1 1
6 TA6 0.564103 0.744186
7 F6P 0.564103 0.744186
8 F1X 0.487805 0.744186
9 LRH 0.484848 0.882353
10 FRU FRU FRU 0.479167 0.888889
11 FRU FRU FRU FRU 0.479167 0.888889
12 Z9N GLC 0.44 0.864865
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: LFR; Similar ligands found: 479
No: Ligand Similarity coefficient
1 6LW 0.9629
2 AHR 0.9501
3 MBG 0.9431
4 AH8 0.9431
5 XYP 0.9405
6 GLC 0.9404
7 V55 0.9318
8 CNL 0.9279
9 7VJ 0.9253
10 3Z7 0.9252
11 3XX 0.9224
12 4HM 0.9213
13 BDF 0.9208
14 ARW 0.9202
15 GYE 0.9201
16 C2U 0.9199
17 GTL 0.9198
18 5RG 0.9183
19 9MG 0.9175
20 TLA 0.9172
21 54G 0.9166
22 YIO 0.9163
23 GTQ 0.9162
24 5M0 0.9161
25 3DM 0.9160
26 SOE 0.9157
27 GAL 0.9148
28 FOT 0.9145
29 GLA 0.9145
30 2FG 0.9144
31 B0D 0.9143
32 I3A 0.9138
33 IJZ 0.9133
34 KDF 0.9132
35 UEG 0.9129
36 RBL 0.9124
37 GUN 0.9123
38 MAN 0.9112
39 XAN 0.9105
40 1GN 0.9103
41 4PW 0.9097
42 149 0.9094
43 Q88 0.9093
44 CGB 0.9089
45 9DG 0.9087
46 RIP 0.9086
47 EUG 0.9086
48 HJP 0.9084
49 HIO 0.9081
50 X6X 0.9077
51 5MK 0.9076
52 ZZT 0.9072
53 4P0 0.9072
54 4M4 0.9068
55 MFU 0.9066
56 3R9 0.9065
57 DIU 0.9064
58 M1E 0.9061
59 NSP 0.9055
60 BMA 0.9053
61 9TZ 0.9052
62 Z6J 0.9052
63 VNL 0.9048
64 RUU 0.9048
65 FUL 0.9046
66 FHN 0.9045
67 RM4 0.9044
68 FA1 0.9044
69 XLS 0.9043
70 I2M 0.9040
71 OAF 0.9040
72 8S0 0.9037
73 7MH 0.9037
74 FUB 0.9035
75 7HQ 0.9032
76 FCB 0.9029
77 RNS 0.9027
78 7VS 0.9027
79 G3F 0.9026
80 KOJ 0.9023
81 AGK 0.9022
82 WBU 0.9018
83 AUD 0.9015
84 IUP 0.9015
85 GAF 0.9013
86 BDR 0.9011
87 T6C 0.9011
88 ASC 0.9008
89 SOR 0.9007
90 IF7 0.9003
91 P4B 0.9003
92 3NT 0.9002
93 H76 0.9000
94 GIF 0.8998
95 5DI 0.8998
96 RNT 0.8997
97 24B 0.8996
98 FH2 0.8996
99 2MN 0.8996
100 RAM 0.8992
101 HXX 0.8992
102 FDK 0.8991
103 GIV 0.8989
104 URF 0.8989
105 DGJ 0.8986
106 BGC 0.8985
107 OMD 0.8984
108 NDM 0.8980
109 6CS 0.8976
110 GTZ 0.8976
111 SEJ 0.8975
112 NMJ 0.8975
113 DIE 0.8974
114 VOH 0.8970
115 EOL 0.8969
116 NFQ 0.8965
117 ZWZ 0.8965
118 II6 0.8963
119 JZ3 0.8963
120 C2A 0.8962
121 8VN 0.8961
122 IPZ 0.8959
123 IFM 0.8959
124 ADE 0.8959
125 IFL 0.8957
126 PXL 0.8957
127 DBX 0.8956
128 6M4 0.8954
129 GLF 0.8954
130 7D2 0.8953
131 HMU 0.8953
132 1LN 0.8952
133 NOJ 0.8951
134 42C 0.8951
135 SAL 0.8951
136 7B4 0.8950
137 F31 0.8950
138 FUF 0.8949
139 SDD 0.8945
140 NCD 0.8943
141 ASO 0.8943
142 AFR 0.8941
143 0R0 0.8940
144 F0J 0.8940
145 2GS 0.8938
146 XYS 0.8937
147 F05 0.8937
148 KIB 0.8933
149 329 0.8932
150 DMJ 0.8930
151 0MK 0.8929
152 RIB 0.8926
153 261 0.8926
154 FUC 0.8925
155 3F0 0.8919
156 FLC 0.8916
157 FA6 0.8915
158 Q6T 0.8915
159 MWP 0.8915
160 MMA 0.8914
161 ALL 0.8912
162 HPA 0.8911
163 M1Q 0.8909
164 PAF 0.8908
165 G4D 0.8907
166 CIT 0.8907
167 KPL 0.8906
168 FCA 0.8902
169 R8S 0.8902
170 3HA 0.8900
171 TAR 0.8898
172 H7Y 0.8892
173 12M 0.8890
174 AMG 0.8888
175 2LP 0.8887
176 KDG 0.8887
177 DRL 0.8886
178 BE2 0.8886
179 3M0 0.8885
180 ARA 0.8884
181 QIC 0.8884
182 4XR 0.8881
183 AI2 0.8880
184 ABE 0.8879
185 XUL 0.8876
186 MNM 0.8875
187 ORO 0.8874
188 AKH 0.8874
189 GZL 0.8874
190 AN0 0.8873
191 SFU 0.8873
192 G2F 0.8873
193 RB5 0.8872
194 NK 0.8872
195 T9G 0.8872
196 KBB 0.8870
197 B53 0.8870
198 ARB 0.8869
199 82I 0.8868
200 LGC 0.8867
201 N8P 0.8867
202 F81 0.8866
203 64K 0.8865
204 5WX 0.8864
205 HX3 0.8864
206 2H5 0.8864
207 7HP 0.8862
208 ENL 0.8861
209 4ZC 0.8861
210 GOO 0.8860
211 O7U 0.8859
212 2DR 0.8858
213 FPY 0.8858
214 DFB 0.8857
215 DBH 0.8855
216 R2B 0.8854
217 DZX 0.8854
218 DOR 0.8852
219 INO 0.8851
220 53C 0.8850
221 XYL 0.8849
222 DHB 0.8847
223 3U4 0.8845
224 LYL 0.8844
225 EYK 0.8843
226 M0W 0.8843
227 PXM 0.8843
228 YHO 0.8841
229 SRT 0.8839
230 GCO 0.8838
231 GLY PRO 0.8838
232 7A2 0.8838
233 ZZ3 0.8835
234 0W8 0.8835
235 GCS 0.8835
236 AZF 0.8834
237 SR1 0.8834
238 3R6 0.8831
239 XQG 0.8828
240 DFU 0.8826
241 BK9 0.8826
242 7WR 0.8825
243 TBP 0.8825
244 GXL 0.8823
245 2EC 0.8823
246 41K 0.8823
247 FP1 0.8822
248 3DO 0.8822
249 ES6 0.8820
250 BTE 0.8819
251 OW4 0.8819
252 GT0 0.8817
253 PA1 0.8817
254 HHA 0.8817
255 MSN 0.8815
256 DMV 0.8815
257 286 0.8815
258 FUD 0.8814
259 SX1 0.8814
260 32O 0.8814
261 4AV 0.8813
262 MLT 0.8813
263 MYJ 0.8812
264 PBE 0.8810
265 R1X 0.8809
266 3SK 0.8808
267 DHK 0.8807
268 3MG 0.8806
269 FA3 0.8803
270 AOS 0.8798
271 OXZ 0.8797
272 ADA 0.8797
273 G5V 0.8794
274 ROR 0.8792
275 ECG 0.8792
276 KJY 0.8790
277 IPM 0.8789
278 P9P 0.8789
279 JKE 0.8788
280 JIF 0.8788
281 EXO 0.8787
282 4CS 0.8787
283 1AL 0.8787
284 EMZ 0.8787
285 OVP 0.8782
286 2A7 0.8781
287 TMH 0.8780
288 8VE 0.8780
289 4TE 0.8779
290 MEV 0.8778
291 1DW 0.8778
292 BDP 0.8778
293 AS3 0.8777
294 8WQ 0.8777
295 BFM 0.8775
296 6KX 0.8774
297 42A 0.8771
298 HLZ 0.8771
299 WOO 0.8770
300 PSJ 0.8769
301 K5W 0.8766
302 34V 0.8765
303 DQA 0.8764
304 UNC 0.8762
305 CBF 0.8761
306 R8A 0.8760
307 VNJ 0.8759
308 GOX 0.8757
309 LZM 0.8754
310 7ME 0.8753
311 S76 0.8752
312 25W 0.8752
313 HQ9 0.8751
314 SKM 0.8750
315 SHG 0.8750
316 35C 0.8750
317 SC2 0.8750
318 5WY 0.8748
319 AEH 0.8745
320 FE DB1 0.8745
321 NTM 0.8745
322 LDP 0.8743
323 9SE 0.8743
324 KP6 0.8742
325 FSW 0.8738
326 LCN 0.8738
327 34D 0.8738
328 MFB 0.8737
329 3DY 0.8737
330 SVD 0.8736
331 SHA 0.8736
332 G8M 0.8736
333 JZ1 0.8734
334 23A 0.8733
335 ICT 0.8733
336 IP0 0.8732
337 PRZ 0.8731
338 ISD 0.8730
339 SRO 0.8729
340 GLU 0.8729
341 2AS 0.8729
342 KBG 0.8725
343 3OC 0.8725
344 GIO 0.8722
345 JZ4 0.8720
346 TWO 0.8718
347 GTR 0.8717
348 DBJ 0.8715
349 CRN 0.8715
350 3IT 0.8714
351 AZA 0.8713
352 HA7 0.8710
353 G6D 0.8705
354 TFU 0.8703
355 GV9 0.8702
356 HPY 0.8701
357 AIN 0.8698
358 JFJ 0.8695
359 6AP 0.8694
360 EV0 0.8693
361 V6F 0.8693
362 AOR 0.8693
363 9PY 0.8690
364 2XX 0.8689
365 YTB 0.8685
366 1U6 0.8684
367 8GC 0.8682
368 XXR 0.8681
369 M2H 0.8678
370 YQA 0.8676
371 94B 0.8675
372 4HO 0.8675
373 ZXD 0.8675
374 1WD 0.8675
375 MZG 0.8673
376 TRA 0.8672
377 5ZZ 0.8672
378 MWM 0.8672
379 MIG 0.8672
380 2YU 0.8671
381 YH7 0.8669
382 7A3 0.8668
383 2PG 0.8668
384 EDG 0.8668
385 GCV 0.8664
386 A1U 0.8660
387 K6H 0.8657
388 A2F 0.8657
389 MUC 0.8655
390 3V4 0.8653
391 XSP 0.8652
392 PRY 0.8650
393 4ZE 0.8649
394 SWA 0.8649
395 TM7 0.8649
396 FPK 0.8649
397 948 0.8649
398 BSX 0.8648
399 DX4 0.8647
400 ES0 0.8647
401 GLN 0.8646
402 4XV 0.8645
403 QM1 0.8645
404 5XB 0.8643
405 KDO 0.8642
406 TDR 0.8641
407 XBZ 0.8641
408 7MU 0.8640
409 ADK 0.8638
410 5JC 0.8638
411 KIA 0.8637
412 MCT 0.8636
413 NOY 0.8636
414 2AC 0.8635
415 1MC 0.8631
416 CWM 0.8630
417 2A9 0.8630
418 SKG 0.8629
419 27Y 0.8628
420 141 0.8628
421 6GU 0.8627
422 34A 0.8627
423 4CL 0.8625
424 CAX 0.8625
425 IGA 0.8625
426 BR9 0.8624
427 0LH 0.8623
428 XYD 0.8620
429 ICP 0.8620
430 HT4 0.8620
431 IMR 0.8619
432 TSS 0.8618
433 PFL 0.8617
434 4JJ 0.8615
435 2MP 0.8614
436 5MH 0.8614
437 MWJ 0.8610
438 JZ2 0.8610
439 ZB1 0.8610
440 13P 0.8608
441 47J 0.8604
442 4XS 0.8604
443 PHT 0.8600
444 9HX 0.8600
445 FDB 0.8599
446 23J 0.8596
447 5UC 0.8592
448 EJZ 0.8592
449 45L 0.8591
450 XXG 0.8588
451 Y8I 0.8585
452 ASP 0.8584
453 4SV 0.8583
454 INS 0.8580
455 SVN 0.8580
456 TH0 0.8578
457 THE 0.8577
458 1AB 0.8577
459 43M 0.8568
460 15L 0.8567
461 9DA 0.8565
462 069 0.8565
463 R1P 0.8560
464 MZB 0.8560
465 290 0.8560
466 4JO 0.8560
467 8EW 0.8559
468 9EW 0.8559
469 L3Q 0.8558
470 NEQ 0.8555
471 JBE 0.8554
472 10L 0.8554
473 98J 0.8553
474 PM6 0.8553
475 ES4 0.8547
476 4RW 0.8546
477 M1A 0.8526
478 SJ5 0.8518
479 3MA 0.8510
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UYT; Ligand: ADP; 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: 2uyt.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2UYT; Ligand: LRH; 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: 2uyt.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
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