Receptor
PDB id Resolution Class Description Source Keywords
2d1r 1.6 Å EC: 1.13.12.7 CRYSTAL STRUCTURE OF THE THERMOSTABLE JAPANESE FIREFLY LUCIFERASE COMPLEXED WITH OXYLUCIFERIN AND AMP LUCIOLA CRUCIATA ALPHA/BETA BETA BARREL ALPHA+BETA RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR THE SPECTRAL DIFFERENCE IN LUCIFERASE BIOLUMINESCENCE. NATURE V. 440 372 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AMP A:1001;
 Valid;
 none;
 submit data
347.221 C10 H14 N5 O7 P c1nc(...
OLU A:2001;
 Valid;
 none;
 submit data
250.297 C10 H6 N2 O2 S2 c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2D1S 1.3 Å EC: 1.13.12.7 CRYSTAL STRUCTURE OF THE THERMOSTABLE JAPANESE FIREFLY LUCIFERASE COMPLEXED WITH HIGH-ENERGY INTERMEDIATE ANALOGUE LUCIOLA CRUCIATA ALPHA/BETA BETA BARREL ALPHA+BETA RIKEN STRUCTURAL GENOMICS/PROTEOMICS INITIATIVE RSGI STRUCTURAL GENOMICS OXIDOREDUCTASE
Ref.: STRUCTURAL BASIS FOR THE SPECTRAL DIFFERENCE IN LUCIFERASE BIOLUMINESCENCE. NATURE V. 440 372 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 2D1R - OLU C10 H6 N2 O2 S2 c1cc2c(cc1....
2 2D1Q - AMP C10 H14 N5 O7 P c1nc(c2c(n....
3 2D1T - SLU C21 H18 N8 O8 S3 c1cc2c(cc1....
4 2D1S - SLU C21 H18 N8 O8 S3 c1cc2c(cc1....
70% Homology Family (11)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4G37 - SLU C21 H18 N8 O8 S3 c1cc2c(cc1....
2 3RIX - 923 C27 H28 O7 CC(C)([C@H....
3 5KYT - SLU C21 H18 N8 O8 S3 c1cc2c(cc1....
4 4E5D - 0NJ C14 H10 F N O S COc1ccc2c(....
5 3IES Kd ~ 120 pM M24 C25 H21 F N7 O9 P c1ccc(c(c1....
6 6K4C - SLU C21 H18 N8 O8 S3 c1cc2c(cc1....
7 6K4D - ESJ C11 H8 N2 O3 S2 c1cc2c(cc1....
8 2D1R - OLU C10 H6 N2 O2 S2 c1cc2c(cc1....
9 2D1Q - AMP C10 H14 N5 O7 P c1nc(c2c(n....
10 2D1T - SLU C21 H18 N8 O8 S3 c1cc2c(cc1....
11 2D1S - SLU C21 H18 N8 O8 S3 c1cc2c(cc1....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4G37 - SLU C21 H18 N8 O8 S3 c1cc2c(cc1....
2 3RIX - 923 C27 H28 O7 CC(C)([C@H....
3 5KYT - SLU C21 H18 N8 O8 S3 c1cc2c(cc1....
4 4E5D - 0NJ C14 H10 F N O S COc1ccc2c(....
5 2D1R - OLU C10 H6 N2 O2 S2 c1cc2c(cc1....
6 2D1Q - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AMP; Similar ligands found: 456
No: Ligand ECFP6 Tc MDL keys Tc
1 AMP 1 1
2 A 1 1
3 45A 0.833333 0.943662
4 ABM 0.833333 0.943662
5 A2D 0.833333 0.943662
6 AMP MG 0.830769 0.956522
7 ADP 0.823529 0.971429
8 BA3 0.808824 0.943662
9 AP2 0.808824 0.931507
10 A12 0.808824 0.931507
11 SRA 0.80303 0.944444
12 AP5 0.797101 0.943662
13 B4P 0.797101 0.943662
14 HEJ 0.788732 0.971429
15 ATP 0.788732 0.971429
16 AN2 0.785714 0.957747
17 AT4 0.785714 0.931507
18 APC 0.777778 0.931507
19 5FA 0.777778 0.971429
20 AQP 0.777778 0.971429
21 AU1 0.774648 0.944444
22 CA0 0.774648 0.917808
23 ADX 0.774648 0.848101
24 M33 0.774648 0.930556
25 KG4 0.763889 0.917808
26 ACP 0.763889 0.944444
27 50T 0.763889 0.957747
28 ADP BEF 0.760563 0.942857
29 ADP MG 0.760563 0.942857
30 25A 0.75641 0.971429
31 APR 0.753425 0.943662
32 AR6 0.753425 0.943662
33 PRX 0.753425 0.917808
34 TAT 0.746667 0.931507
35 T99 0.746667 0.931507
36 ACQ 0.746667 0.944444
37 AGS 0.743243 0.918919
38 RBY 0.743243 0.905405
39 ADV 0.743243 0.905405
40 AD9 0.743243 0.944444
41 ANP 0.723684 0.944444
42 APC MG 0.72 0.916667
43 ATP MG 0.72 0.942857
44 ADP PO3 0.72 0.942857
45 6YZ 0.717949 0.944444
46 5AL 0.714286 0.930556
47 V2G 0.714286 0.894737
48 8LE 0.714286 0.893333
49 SON 0.712329 0.931507
50 BEF ADP 0.710526 0.916667
51 LMS 0.710145 0.825
52 ADN 0.709677 0.842857
53 RAB 0.709677 0.842857
54 XYA 0.709677 0.842857
55 HQG 0.708861 0.957747
56 ATF 0.705128 0.931507
57 GAP 0.701299 0.891892
58 A22 0.7 0.957747
59 8LH 0.696203 0.905405
60 SRP 0.696203 0.905405
61 7D5 0.691176 0.902778
62 A2P 0.684932 0.956522
63 A3P 0.684932 0.971014
64 ALF ADP 0.683544 0.868421
65 ANP MG 0.683544 0.930556
66 VO4 ADP 0.683544 0.944444
67 ADQ 0.682927 0.917808
68 MAP 0.679012 0.918919
69 QA7 0.679012 0.893333
70 8LQ 0.679012 0.905405
71 5SV 0.670732 0.87013
72 OZV 0.670732 0.943662
73 9ZA 0.670732 0.906667
74 9ZD 0.670732 0.906667
75 OOB 0.670732 0.930556
76 8QN 0.670732 0.930556
77 PTJ 0.670588 0.894737
78 AOC 0.666667 0.84507
79 A1R 0.662651 0.881579
80 A3R 0.662651 0.881579
81 AMO 0.662651 0.905405
82 PAJ 0.662651 0.858974
83 4AD 0.662651 0.893333
84 5N5 0.661538 0.816901
85 DAL AMP 0.658537 0.90411
86 IMO 0.657534 0.928571
87 DLL 0.654762 0.930556
88 00A 0.654762 0.881579
89 AHX 0.654762 0.87013
90 JNT 0.654762 0.917808
91 5AS 0.653333 0.776471
92 A4D 0.651515 0.816901
93 5CD 0.651515 0.828571
94 6MZ 0.648649 0.957143
95 ADP BMA 0.647059 0.891892
96 3UK 0.647059 0.917808
97 OAD 0.647059 0.917808
98 9X8 0.647059 0.893333
99 25L 0.643678 0.957747
100 PR8 0.639535 0.848101
101 WAQ 0.639535 0.881579
102 LAD 0.639535 0.858974
103 B5V 0.639535 0.905405
104 DTA 0.637681 0.808219
105 V3L 0.6375 0.971429
106 3DH 0.633803 0.794521
107 3OD 0.632184 0.917808
108 FYA 0.632184 0.930556
109 BIS 0.632184 0.906667
110 TXA 0.632184 0.905405
111 1ZZ 0.632184 0.8375
112 ME8 0.632184 0.8375
113 NB8 0.632184 0.87013
114 MTA 0.628571 0.794521
115 3AM 0.625 0.956522
116 EP4 0.623188 0.773333
117 9SN 0.617977 0.87013
118 M2T 0.614286 0.753247
119 JB6 0.613636 0.881579
120 KMQ 0.611111 0.905405
121 FA5 0.611111 0.905405
122 B5Y 0.611111 0.893333
123 B5M 0.611111 0.893333
124 H1Q 0.607595 0.929577
125 MYR AMP 0.606742 0.814815
126 G5A 0.604938 0.776471
127 XAH 0.604396 0.8375
128 4UV 0.597826 0.893333
129 71V 0.597403 0.906667
130 ATP A 0.593407 0.929577
131 ATP A A A 0.593407 0.929577
132 PAP 0.592593 0.957143
133 G3A 0.591398 0.894737
134 2AM 0.589041 0.942857
135 5X8 0.5875 0.783784
136 6RE 0.586667 0.779221
137 6C6 0.585366 0.905405
138 G5P 0.585106 0.894737
139 AFH 0.585106 0.858974
140 4UU 0.585106 0.893333
141 GA7 0.585106 0.905405
142 7D3 0.584416 0.878378
143 A5A 0.583333 0.804878
144 TSB 0.581395 0.795181
145 AMP DBH 0.580645 0.891892
146 2A5 0.580247 0.891892
147 TAD 0.578947 0.858974
148 GTA 0.578947 0.860759
149 DQV 0.578947 0.930556
150 DSH 0.578947 0.74359
151 6IA 0.578313 0.858974
152 SSA 0.576471 0.776471
153 AMZ 0.575342 0.888889
154 C2R 0.575342 0.876712
155 7D4 0.575 0.878378
156 PGS 0.575 0.857143
157 ZAS 0.573333 0.786667
158 ATR 0.573171 0.942857
159 LAQ 0.572917 0.8375
160 AAM 0.571429 1
161 PPS 0.571429 0.848101
162 A3N 0.571429 0.783784
163 J7C 0.571429 0.789474
164 AIR 0.571429 0.927536
165 52H 0.569767 0.776471
166 54H 0.569767 0.785714
167 VMS 0.569767 0.785714
168 7MD 0.568421 0.8375
169 ARG AMP 0.568421 0.82716
170 AR6 AR6 0.568421 0.916667
171 YLP 0.56701 0.817073
172 48N 0.56701 0.87013
173 OVE 0.565789 0.90411
174 UPA 0.565657 0.881579
175 2SA 0.564706 0.905405
176 S4M 0.564103 0.682353
177 5CA 0.563218 0.776471
178 53H 0.563218 0.776471
179 8X1 0.563218 0.75
180 6V0 0.561224 0.87013
181 NAX 0.561224 0.848101
182 4UW 0.561224 0.858974
183 TXD 0.561224 0.881579
184 UP5 0.561224 0.893333
185 NAI 0.561224 0.881579
186 DND 0.561224 0.905405
187 NIA 0.56 0.820513
188 D5M 0.558442 0.902778
189 DA 0.558442 0.902778
190 NWW 0.557143 0.757143
191 MAO 0.556962 0.777778
192 AHZ 0.556701 0.814815
193 TXE 0.555556 0.881579
194 TYM 0.555556 0.905405
195 ITT 0.555556 0.915493
196 OMR 0.555556 0.82716
197 5AD 0.552239 0.768116
198 A2R 0.551724 0.957747
199 LPA AMP 0.55102 0.814815
200 DSZ 0.550562 0.776471
201 NSS 0.550562 0.776471
202 LSS 0.550562 0.758621
203 YLC 0.55 0.8375
204 L3W 0.55 0.905405
205 YLB 0.55 0.817073
206 AP0 0.55 0.87013
207 4TC 0.55 0.87013
208 P5A 0.549451 0.741573
209 J4G 0.549451 0.918919
210 139 0.54902 0.848101
211 O02 0.547619 0.894737
212 A4P 0.544554 0.819277
213 NVA LMS 0.544444 0.75
214 GJV 0.544304 0.769231
215 7D7 0.544118 0.763889
216 9K8 0.543478 0.711111
217 A7D 0.54321 0.797297
218 AF3 ADP 3PG 0.54 0.835443
219 ALF ADP 3PG 0.54 0.835443
220 6K6 0.539326 0.957143
221 IOT 0.539216 0.829268
222 LEU LMS 0.538462 0.747126
223 A3G 0.538462 0.797297
224 A5D 0.535714 0.808219
225 NAD IBO 0.534653 0.916667
226 7MC 0.534653 0.817073
227 NAD TDB 0.534653 0.916667
228 YLA 0.533981 0.817073
229 T5A 0.533981 0.817073
230 ADJ 0.533981 0.82716
231 GSU 0.532609 0.776471
232 KAA 0.532609 0.75
233 7RA 0.531646 0.985507
234 SFG 0.53012 0.77027
235 SAH 0.529412 0.763158
236 HFD 0.529412 0.918919
237 JSQ 0.529412 0.918919
238 AYB 0.528846 0.807229
239 CNA 0.528846 0.905405
240 N6P 0.527473 0.942029
241 8BR 0.525 0.931507
242 F2R 0.52381 0.839506
243 80F 0.523364 0.817073
244 Y3J 0.521127 0.746479
245 YSA 0.520833 0.776471
246 7RP 0.518987 0.955882
247 NAD 0.518868 0.930556
248 BTX 0.518868 0.839506
249 COD 0.518868 0.788235
250 MHZ 0.518072 0.714286
251 SA8 0.517647 0.725
252 6AD 0.517241 0.883117
253 BT5 0.514019 0.829268
254 DZD 0.514019 0.858974
255 RMB 0.5125 0.898551
256 CUU 0.511905 0.943662
257 SAI 0.511628 0.753247
258 AV2 0.511364 0.890411
259 K2R 0.510638 0.878378
260 8PZ 0.510417 0.776471
261 K3K 0.510417 0.8
262 A3D 0.509259 0.917808
263 A3S 0.506024 0.808219
264 3AT 0.505747 0.943662
265 SAM 0.505747 0.707317
266 SMM 0.505618 0.702381
267 NA7 0.505376 0.931507
268 B1U 0.505155 0.733333
269 AMP NAD 0.504673 0.90411
270 4TA 0.504673 0.804878
271 5GP 0.5 0.905405
272 EEM 0.5 0.707317
273 NEC 0.5 0.743243
274 NO7 0.5 0.905405
275 G 0.5 0.905405
276 AAT 0.5 0.725
277 YLY 0.495495 0.807229
278 M24 0.495495 0.848101
279 7C5 0.494949 0.815789
280 A3T 0.494118 0.819444
281 DAT 0.494118 0.878378
282 FAI 0.493827 0.888889
283 P2P 0.493827 0.928571
284 1RB 0.493671 0.911765
285 NAE 0.491071 0.893333
286 D4F 0.491071 0.8375
287 NAJ PZO 0.490909 0.846154
288 KOY 0.490196 0.8
289 LQJ 0.489796 0.916667
290 TM1 0.489583 0.771084
291 PO4 PO4 A A A A PO4 0.489362 0.901408
292 A6D 0.489362 0.740741
293 QXP 0.48913 0.761905
294 V47 0.488889 0.780822
295 S7M 0.488889 0.707317
296 DTP 0.488636 0.878378
297 RBZ 0.4875 0.873239
298 101 0.4875 0.902778
299 NWQ 0.487179 0.736111
300 EAD 0.486957 0.848101
301 NAQ 0.486726 0.87013
302 4YB 0.485149 0.758621
303 K3E 0.484848 0.789474
304 NDE 0.483051 0.931507
305 38V 0.482456 0.860759
306 N0B 0.482456 0.817073
307 ZID 0.482456 0.917808
308 N5O 0.481481 0.76
309 WSA 0.480769 0.785714
310 KL2 0.480519 0.861111
311 RGT 0.479592 0.931507
312 ARU 0.478723 0.835443
313 GGZ 0.478261 0.8
314 JLN 0.47561 0.863014
315 ANZ 0.475248 0.820513
316 QQY 0.475 0.837838
317 ACK 0.475 0.885714
318 QXG 0.473684 0.752941
319 NAJ PYZ 0.473684 0.804878
320 S8M 0.473118 0.779221
321 AVV 0.473118 0.87013
322 GEK 0.473118 0.734177
323 3AD 0.472973 0.828571
324 P1H 0.470588 0.82716
325 N5A 0.46988 0.733333
326 R2V 0.46875 0.761905
327 0UM 0.468085 0.716049
328 RVP 0.467532 0.847222
329 649 0.466667 0.741573
330 Z5A 0.465517 0.776471
331 PMO 0.464286 0.873239
332 O05 0.463918 0.819277
333 SXZ 0.463918 0.707317
334 62X 0.463158 0.682353
335 K2H 0.463158 0.753247
336 QQX 0.4625 0.826667
337 KY2 0.462366 0.75
338 8Q2 0.462264 0.75
339 OK8 0.461538 0.853333
340 K2W 0.46 0.7375
341 2VA 0.45977 0.797297
342 IMP 0.458824 0.90411
343 CC5 0.458333 0.84058
344 K15 0.458333 0.698795
345 AS 0.457831 0.855263
346 DDS 0.455556 0.851351
347 V1N 0.455446 0.943662
348 NJP 0.454545 0.918919
349 K38 0.454545 0.776316
350 K2K 0.453608 0.734177
351 7DD 0.453488 0.957143
352 G7M 0.453488 0.87013
353 93A 0.453488 0.804878
354 3D1 0.453333 0.77027
355 3L1 0.453333 0.77027
356 KYB 0.452632 0.75
357 EO7 0.452381 0.785714
358 NDC 0.45082 0.87013
359 FB0 0.45082 0.781609
360 DZ4 0.450549 0.855263
361 0WD 0.45045 0.894737
362 NVA 2AD 0.449438 0.75641
363 26A 0.447368 0.76
364 2FA 0.447368 0.810811
365 2BA 0.447059 0.914286
366 CMP 0.447059 0.927536
367 D3Y 0.446809 0.786667
368 K3H 0.445545 0.746835
369 VRT 0.444444 0.766234
370 APU 0.444444 0.893333
371 KB1 0.444444 0.716049
372 KY5 0.444444 0.74359
373 SO8 0.444444 0.786667
374 FDA 0.443548 0.809524
375 PUA 0.443478 0.858974
376 ODP 0.441441 0.883117
377 6FA 0.44 0.817073
378 NX8 0.43956 0.7125
379 RP1 0.439024 0.864865
380 SP1 0.439024 0.864865
381 103 0.439024 0.861111
382 3NZ 0.438776 0.779221
383 KY8 0.438776 0.746835
384 7DT 0.438202 0.957143
385 NDP 0.436364 0.894737
386 NPW 0.436364 0.860759
387 MTP 0.434211 0.727273
388 FAD 0.433071 0.82716
389 SFD 0.433071 0.712766
390 FAS 0.433071 0.82716
391 TXP 0.432432 0.894737
392 IRN 0.432432 0.867647
393 NZQ 0.432432 0.883117
394 ZZB 0.432432 0.792683
395 KYE 0.431373 0.731707
396 62F 0.430769 0.8375
397 FNK 0.430769 0.781609
398 128 0.429907 0.752941
399 9BG 0.428571 0.87013
400 KXW 0.428571 0.725
401 6MD 0.428571 0.805556
402 PAX 0.428571 0.82716
403 1DA 0.428571 0.842857
404 SLU 0.426087 0.767442
405 PLP AAD 0.426087 0.75
406 XNP 0.424779 0.848101
407 HZ2 0.424528 0.728395
408 12D 0.424528 0.761905
409 5F1 0.423077 0.72973
410 DCA 0.422414 0.8
411 ETB 0.422414 0.809524
412 NWZ 0.422222 0.7
413 F0P 0.422018 0.725
414 ERJ 0.421687 0.777778
415 WMP 0.421053 0.864865
416 GUO 0.421053 0.864865
417 OZP 0.420561 0.725
418 U4Y 0.420561 0.734177
419 HY8 0.416667 0.728395
420 FAY 0.416667 0.8375
421 38Y 0.415929 0.804878
422 5J9 0.415842 0.728395
423 NAD BBN 0.415385 0.817073
424 COA 0.415254 0.8
425 0T1 0.415254 0.8
426 KH3 0.415094 0.690476
427 N01 0.413793 0.90411
428 FMP 0.413793 0.871429
429 RFL 0.413534 0.797619
430 NMN AMP PO4 0.412281 0.868421
431 NAD CJ3 0.409091 0.788235
432 Q34 0.409091 0.690476
433 Q2M 0.409091 0.707317
434 GDP 0.408602 0.893333
435 GP2 0.408602 0.858974
436 NAP 0.408333 0.944444
437 NOC 0.407895 0.760563
438 CNV FAD 0.407407 0.770115
439 2ER 0.405941 0.831169
440 1PR 0.405941 0.820513
441 P5F 0.405797 0.8
442 CAO 0.404959 0.772727
443 30N 0.404959 0.731183
444 TAP 0.404959 0.906667
445 COS 0.404959 0.781609
446 AMX 0.404959 0.809524
447 EU9 0.40367 0.681818
448 XMP 0.402299 0.891892
449 G2P 0.402062 0.858974
450 NA0 0.401639 0.931507
451 CMX 0.401639 0.8
452 SCO 0.401639 0.8
453 9JJ 0.40146 0.8375
454 Q2P 0.4 0.690476
455 N37 0.4 0.730769
456 F2N 0.4 0.790698
Ligand no: 2; Ligand: OLU; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 OLU 1 1
2 ESJ 0.529412 0.804348
Similar Ligands (3D)
Ligand no: 1; Ligand: AMP; Similar ligands found: 216
No: Ligand Similarity coefficient
1 IRP 0.9883
2 DI 0.9755
3 8OP 0.9715
4 IMU 0.9698
5 TKW 0.9696
6 MZP 0.9690
7 PFU 0.9673
8 5FU 0.9664
9 DG 0.9620
10 6MA 0.9618
11 6CG 0.9613
12 U5P 0.9607
13 DGP 0.9601
14 PSU 0.9555
15 C5P 0.9513
16 FDM 0.9499
17 TMP 0.9498
18 5BU 0.9493
19 QBT 0.9492
20 FNU 0.9488
21 8GM 0.9484
22 UFP 0.9484
23 NYM 0.9477
24 5HM 0.9472
25 6OG 0.9471
26 5CM 0.9461
27 16B 0.9451
28 FN5 0.9442
29 NCN 0.9424
30 C 0.9418
31 9L3 0.9417
32 Z8B 0.9410
33 UP6 0.9400
34 NMN 0.9397
35 H2U 0.9395
36 ICR 0.9389
37 BMP 0.9380
38 UMP 0.9373
39 U 0.9368
40 BRU 0.9365
41 CH 0.9364
42 BMQ 0.9360
43 MTH 0.9360
44 8OG 0.9356
45 MTM 0.9347
46 CNU 0.9342
47 MTI 0.9342
48 6SW 0.9342
49 D4M 0.9334
50 2DT 0.9334
51 UMC 0.9304
52 CAR 0.9298
53 5IU 0.9287
54 5HU 0.9283
55 O7E 0.9281
56 DCM 0.9270
57 KB7 0.9270
58 DU 0.9269
59 DC 0.9269
60 NUP 0.9238
61 7CH 0.9219
62 DDN 0.9211
63 MCF 0.9205
64 PCG 0.9201
65 O8M 0.9197
66 DUS 0.9192
67 U6M 0.9180
68 S5P 0.9167
69 DOC 0.9149
70 3F5 0.9146
71 6SX 0.9133
72 U4S 0.9101
73 35G 0.9100
74 N8M 0.9089
75 6CN 0.9083
76 CDP 0.9080
77 T3S 0.9079
78 U1S 0.9071
79 MTE 0.9067
80 U2S 0.9058
81 DBM 0.9053
82 BVP 0.9052
83 4X2 0.9040
84 ATM 0.9025
85 SB8 0.9022
86 INR 0.9008
87 UA2 0.9007
88 A8M 0.9006
89 IMH 0.9006
90 TAL 0.8998
91 SSI 0.8986
92 U3S 0.8983
93 1B6 0.8972
94 3Q1 0.8972
95 TBN 0.8968
96 NOS 0.8966
97 IXF 0.8952
98 AD3 0.8932
99 1BJ 0.8932
100 SU1 0.8927
101 43J 0.8924
102 6SY 0.8920
103 9ZS 0.8918
104 IDP 0.8918
105 6SZ 0.8915
106 JW5 0.8914
107 OMP 0.8905
108 CC7 0.8903
109 T7O 0.8893
110 6AU 0.8887
111 PRH 0.8871
112 HPR 0.8871
113 2GE 0.8871
114 3Q2 0.8869
115 FMC 0.8862
116 ARJ 0.8861
117 9DI 0.8859
118 GNH 0.8855
119 3Q0 0.8849
120 GMP 0.8848
121 FMB 0.8845
122 4EZ 0.8839
123 K8W 0.8831
124 UM3 0.8830
125 MI1 0.8828
126 5ID 0.8815
127 NVV 0.8812
128 HDU 0.8812
129 43G 0.8808
130 UDP 0.8793
131 CFE 0.8793
132 FTU 0.8791
133 HMK 0.8787
134 5FD 0.8778
135 DN8 0.8777
136 72H 0.8776
137 7CU 0.8776
138 2OM 0.8774
139 CZV 0.8771
140 FSB 0.8768
141 HGH 0.8760
142 DOI 0.8756
143 3BH 0.8754
144 XYP TRS XYP 0.8748
145 FGN 0.8746
146 5NB 0.8741
147 LRT 0.8737
148 M7G 0.8735
149 NYZ 0.8731
150 3RA 0.8725
151 MSS 0.8719
152 TXS 0.8712
153 8OD 0.8710
154 S1Z 0.8709
155 4ZK 0.8706
156 L0F 0.8706
157 IYX 0.8702
158 GOW 0.8702
159 EKH 0.8698
160 CQU 0.8694
161 KFS 0.8692
162 0NL 0.8691
163 T3P 0.8690
164 F2B 0.8690
165 4K9 0.8689
166 PWH 0.8686
167 CL9 0.8686
168 GQE 0.8681
169 P1S 0.8676
170 SNI 0.8676
171 9ST 0.8674
172 GAR 0.8673
173 566 0.8671
174 DGI 0.8669
175 9ME 0.8666
176 RVA 0.8664
177 H4H 0.8662
178 SBW 0.8659
179 9W8 0.8653
180 2HW 0.8653
181 BSB 0.8653
182 GNG 0.8644
183 TDI 0.8643
184 MDR 0.8641
185 6HW 0.8634
186 460 0.8634
187 T61 0.8631
188 C1Y 0.8627
189 HLN 0.8624
190 43H 0.8621
191 TYD 0.8615
192 IXE 0.8613
193 66P 0.8609
194 I0D 0.8609
195 MG7 0.8608
196 MHR 0.8608
197 JY5 0.8606
198 4UB 0.8600
199 CC2 0.8599
200 JZJ 0.8598
201 F13 0.8595
202 PDB 0.8588
203 517 0.8585
204 BHF 0.8579
205 IWH 0.8576
206 XYS AZI XYS 0.8571
207 9X0 0.8566
208 KKE 0.8563
209 9RK 0.8559
210 VAL TRP 0.8553
211 4F0 0.8553
212 IYZ 0.8549
213 FKJ 0.8547
214 361 0.8538
215 E44 0.8526
216 E3Y 0.8504
Ligand no: 2; Ligand: OLU; Similar ligands found: 664
No: Ligand Similarity coefficient
1 S0D 0.9723
2 ZTW 0.9687
3 0NJ 0.9588
4 WA1 0.9585
5 397 0.9577
6 4CN 0.9576
7 RSV 0.9543
8 TID 0.9537
9 1FE 0.9534
10 EES 0.9515
11 6P3 0.9509
12 7EH 0.9499
13 TPM 0.9484
14 LR8 0.9480
15 5OR 0.9476
16 0UL 0.9466
17 PRL 0.9444
18 FYR 0.9441
19 XCG 0.9430
20 PQM 0.9429
21 ZRK 0.9397
22 QME 0.9397
23 6H2 0.9391
24 QIV 0.9391
25 2P3 0.9384
26 VC3 0.9382
27 2JX 0.9381
28 4BX 0.9374
29 BSU 0.9369
30 833 0.9368
31 KLS 0.9362
32 4FC 0.9361
33 0SY 0.9361
34 124 0.9359
35 PQS 0.9359
36 801 0.9357
37 6SD 0.9357
38 FHV 0.9354
39 L2K 0.9348
40 OA4 0.9348
41 BMZ 0.9340
42 2PV 0.9332
43 9JT 0.9332
44 GB5 0.9332
45 JCZ 0.9331
46 K7H 0.9328
47 CR4 0.9321
48 5VU 0.9315
49 G2V 0.9315
50 2PK 0.9313
51 TMG 0.9312
52 8V8 0.9311
53 28A 0.9310
54 MR4 0.9304
55 C4E 0.9301
56 A8D 0.9298
57 7KE 0.9298
58 5TT 0.9294
59 A6W 0.9290
60 YIP 0.9289
61 0OK 0.9281
62 H4B 0.9278
63 AP6 0.9278
64 4FE 0.9277
65 EAT 0.9276
66 UAY 0.9275
67 4Z1 0.9274
68 5SJ 0.9267
69 AJ1 0.9265
70 1A5 0.9265
71 23M 0.9260
72 D26 0.9258
73 ZSP 0.9255
74 SX2 0.9255
75 2QU 0.9255
76 1EB 0.9252
77 2WU 0.9246
78 LUM 0.9245
79 FZM 0.9243
80 3VS 0.9243
81 WG8 0.9243
82 BVS 0.9240
83 1DR 0.9239
84 U13 0.9239
85 MR6 0.9239
86 120 0.9238
87 P4T 0.9238
88 121 0.9233
89 PIQ 0.9230
90 S0A 0.9225
91 I2E 0.9225
92 0DF 0.9223
93 2QV 0.9221
94 245 0.9217
95 S98 0.9211
96 SJR 0.9208
97 FCW 0.9207
98 F18 0.9204
99 122 0.9203
100 BX4 0.9203
101 JAH 0.9200
102 4AU 0.9200
103 Y3L 0.9199
104 LR2 0.9198
105 5S9 0.9197
106 7G0 0.9193
107 20N 0.9190
108 HH6 0.9188
109 IEE 0.9188
110 1HP 0.9188
111 802 0.9183
112 789 0.9182
113 AJG 0.9180
114 0XR 0.9172
115 NPS 0.9168
116 4UM 0.9168
117 Q0K 0.9163
118 47X 0.9162
119 1R5 0.9162
120 HBI 0.9162
121 GEN 0.9162
122 H75 0.9162
123 0K7 0.9160
124 2J1 0.9156
125 68B 0.9155
126 AOY 0.9152
127 STL 0.9151
128 MR5 0.9151
129 47V 0.9148
130 83D 0.9147
131 H2B 0.9147
132 0ON 0.9147
133 ZHA 0.9146
134 ERZ 0.9144
135 6C8 0.9144
136 5E5 0.9141
137 DHC 0.9139
138 A51 0.9138
139 EI1 0.9137
140 72D 0.9136
141 NEU 0.9132
142 3VQ 0.9130
143 C0V 0.9128
144 A9B 0.9126
145 F02 0.9126
146 A5Q 0.9124
147 6FB 0.9123
148 7G2 0.9121
149 1Q2 0.9119
150 1XS 0.9116
151 BMC 0.9116
152 5ER 0.9115
153 ZRL 0.9115
154 CBE 0.9113
155 WV7 0.9112
156 4AB 0.9111
157 5B2 0.9109
158 NEO 0.9109
159 MBT 0.9108
160 HC4 0.9107
161 WCU 0.9107
162 109 0.9106
163 J1K 0.9106
164 FBC 0.9106
165 D25 0.9105
166 RGK 0.9104
167 A05 0.9103
168 K0G 0.9103
169 7FU 0.9098
170 BXS 0.9092
171 FF2 0.9092
172 NDD 0.9090
173 4AF 0.9087
174 3IP 0.9087
175 AVX 0.9086
176 M4N 0.9083
177 MI2 0.9082
178 2FX 0.9082
179 4RG 0.9080
180 7N8 0.9080
181 EQW 0.9080
182 5H6 0.9076
183 YE6 0.9071
184 BHS 0.9071
185 SWX 0.9063
186 NKI 0.9063
187 MJW 0.9061
188 BIO 0.9061
189 JMG 0.9060
190 HNT 0.9059
191 4HB 0.9059
192 IDZ 0.9058
193 JL7 0.9057
194 HRD 0.9057
195 LC1 0.9057
196 JA5 0.9057
197 GOE 0.9053
198 LZ5 0.9049
199 272 0.9049
200 5TO 0.9047
201 JBZ 0.9046
202 A45 0.9045
203 YZ9 0.9045
204 KLE 0.9044
205 LO1 0.9044
206 1OT 0.9044
207 7MW 0.9041
208 LJ2 0.9040
209 ITE 0.9039
210 NFZ 0.9038
211 GJG 0.9036
212 HRM 0.9036
213 3D3 0.9035
214 GB4 0.9035
215 7L4 0.9034
216 6DQ 0.9034
217 363 0.9025
218 1Q4 0.9024
219 3D8 0.9024
220 VUP 0.9024
221 856 0.9023
222 8CC 0.9023
223 E3X 0.9023
224 KMY 0.9022
225 4CF 0.9020
226 27K 0.9019
227 XIL 0.9018
228 XDL XYP 0.9018
229 QBP 0.9018
230 K3D 0.9018
231 3F4 0.9017
232 WDW 0.9016
233 08C 0.9016
234 3MI 0.9014
235 FY8 0.9013
236 2L1 0.9011
237 GVY 0.9010
238 3VX 0.9010
239 CIU 0.9009
240 4ZF 0.9008
241 M28 0.9007
242 NPX 0.9004
243 3SU 0.9004
244 F40 0.9004
245 WLH 0.9002
246 LFN 0.9000
247 XYP XYP 0.8998
248 92O 0.8997
249 8D6 0.8997
250 TEF 0.8996
251 94X 0.8996
252 68C 0.8995
253 BP7 0.8994
254 20D 0.8993
255 205 0.8992
256 22T 0.8992
257 1V3 0.8991
258 NAL 0.8989
259 52F 0.8989
260 XDN XYP 0.8988
261 5M2 0.8988
262 XYP XDN 0.8988
263 X48 0.8987
264 EQU 0.8986
265 6L6 0.8985
266 Z21 0.8983
267 G14 0.8983
268 DFL 0.8979
269 E6Q 0.8977
270 N5B 0.8977
271 ZIP 0.8977
272 RE2 0.8977
273 C82 0.8977
274 EST 0.8976
275 NY4 0.8975
276 5WK 0.8974
277 BBP 0.8973
278 97K 0.8971
279 CX6 0.8970
280 5F1 0.8969
281 BVB 0.8969
282 XYS XYP 0.8969
283 041 0.8967
284 5O6 0.8967
285 613 0.8967
286 697 0.8965
287 ZEA 0.8965
288 A63 0.8963
289 2D2 0.8962
290 ESR 0.8961
291 TRP 0.8961
292 CHQ 0.8960
293 1V4 0.8960
294 5TU 0.8959
295 1V1 0.8959
296 92G 0.8958
297 T1N 0.8957
298 72E 0.8956
299 LIG 0.8956
300 0FR 0.8954
301 7PJ 0.8953
302 JVD 0.8952
303 X2M 0.8951
304 0LA 0.8951
305 6FG 0.8950
306 6BK 0.8949
307 AO 0.8949
308 NRA 0.8947
309 BBY 0.8945
310 9NB 0.8945
311 4FF 0.8943
312 MKN 0.8943
313 7FZ 0.8942
314 NK5 0.8942
315 90G 0.8942
316 S45 0.8939
317 KLV 0.8937
318 6VW 0.8937
319 KWV 0.8936
320 TVZ 0.8935
321 A73 0.8935
322 7ZO 0.8932
323 Z3R 0.8932
324 4P9 0.8931
325 AD6 0.8928
326 M83 0.8926
327 II4 0.8926
328 4I8 0.8926
329 1ZC 0.8925
330 HPP 0.8923
331 N91 0.8923
332 IIH 0.8921
333 6N4 0.8921
334 ODK 0.8921
335 28B 0.8920
336 XYS XYS 0.8920
337 GJB 0.8917
338 S0W 0.8915
339 S8P 0.8914
340 27F 0.8911
341 S60 0.8909
342 G1L 0.8908
343 1V8 0.8907
344 9FH 0.8906
345 P4L 0.8906
346 RF2 0.8905
347 FER 0.8904
348 GO2 0.8903
349 72G 0.8902
350 1BW 0.8902
351 U4J 0.8901
352 907 0.8901
353 SZ5 0.8897
354 HPK 0.8897
355 6QT 0.8896
356 0X2 0.8895
357 5WT 0.8893
358 IS2 0.8891
359 LJ1 0.8889
360 C53 0.8888
361 XI7 0.8888
362 WF4 0.8887
363 GHQ 0.8887
364 IJ6 0.8886
365 EZL 0.8886
366 RYV 0.8884
367 HMO 0.8881
368 90M 0.8881
369 BGU 0.8880
370 JMM 0.8880
371 TYR 0.8879
372 IW4 0.8879
373 KU1 0.8879
374 LI7 0.8873
375 RDV 0.8871
376 JRO 0.8871
377 BC5 0.8871
378 U14 0.8871
379 DX2 0.8868
380 S7D 0.8867
381 26C 0.8867
382 2OX 0.8865
383 D64 0.8863
384 A9E 0.8862
385 8M5 0.8860
386 X0U 0.8859
387 A7H 0.8858
388 L15 0.8857
389 1UZ 0.8857
390 P81 0.8857
391 XIF XYP 0.8855
392 XYP XIF 0.8855
393 IQW 0.8855
394 N9M 0.8853
395 9CE 0.8853
396 3WO 0.8853
397 3WN 0.8853
398 123 0.8853
399 GJK 0.8852
400 4G2 0.8851
401 CG 0.8851
402 2QC 0.8850
403 HDI 0.8849
404 1Q1 0.8849
405 ZZA 0.8847
406 FQX 0.8847
407 4NR 0.8846
408 LU2 0.8845
409 Z94 0.8844
410 KF5 0.8843
411 25F 0.8843
412 6MW 0.8840
413 FT6 0.8840
414 4GU 0.8838
415 334 0.8837
416 39R 0.8837
417 JF8 0.8835
418 J38 0.8833
419 IW3 0.8833
420 8EU 0.8830
421 EEK 0.8830
422 A26 0.8829
423 M78 0.8828
424 N9J 0.8827
425 NYJ 0.8825
426 FNT 0.8825
427 OJM 0.8821
428 Q92 0.8820
429 J3Z 0.8820
430 135 0.8820
431 TCR 0.8819
432 ECS 0.8819
433 DAH 0.8818
434 D9Z 0.8818
435 PIT 0.8817
436 38E 0.8816
437 S1D 0.8816
438 1KN 0.8815
439 NIF 0.8814
440 3K1 0.8813
441 JSX 0.8813
442 3L1 0.8813
443 EP1 0.8811
444 6MD 0.8811
445 AZB 0.8810
446 6J5 0.8808
447 TVC 0.8808
448 5NN 0.8807
449 22M 0.8807
450 A98 0.8806
451 AOM 0.8806
452 80G 0.8806
453 CDJ 0.8803
454 PLP 0.8801
455 EAE 0.8799
456 51Y 0.8799
457 L03 0.8799
458 NE2 0.8794
459 TJM 0.8793
460 IPO 0.8792
461 3GX 0.8792
462 DBE 0.8791
463 B1J 0.8791
464 6C4 0.8790
465 A5H 0.8789
466 MD6 0.8789
467 CT0 0.8789
468 5V7 0.8789
469 IOP 0.8787
470 ZAR 0.8786
471 DX7 0.8786
472 AOX 0.8786
473 ZEC 0.8785
474 GT4 0.8784
475 HPX 0.8784
476 17M 0.8784
477 IBP 0.8783
478 KWB 0.8782
479 0MB 0.8781
480 5AD 0.8781
481 5ZM 0.8780
482 6C5 0.8779
483 H2W 0.8779
484 JCQ 0.8778
485 YE7 0.8778
486 KP2 0.8776
487 3CX 0.8775
488 PTB 0.8773
489 HPZ 0.8772
490 5TY 0.8772
491 PUE 0.8771
492 FMH 0.8771
493 IDD 0.8770
494 6C9 0.8769
495 3JC 0.8769
496 3N0 0.8769
497 S8G 0.8768
498 ALE 0.8767
499 8YH 0.8767
500 D1Y 0.8766
501 CUE 0.8766
502 STV 0.8764
503 15Q 0.8762
504 OQC 0.8762
505 2GQ 0.8761
506 78Y 0.8760
507 W8L 0.8757
508 0DJ 0.8756
509 L1T 0.8756
510 S7V 0.8752
511 VGS 0.8752
512 JGY 0.8750
513 5SD 0.8747
514 F4K 0.8746
515 1UT 0.8746
516 3ZB 0.8744
517 5OO 0.8741
518 LJ5 0.8740
519 NQ8 0.8739
520 GZV 0.8739
521 RYY 0.8739
522 P7V 0.8736
523 3WL 0.8736
524 GNG 0.8732
525 CC5 0.8731
526 9BF 0.8730
527 1V0 0.8730
528 E9L 0.8730
529 RKV 0.8730
530 VGV 0.8729
531 IW5 0.8728
532 RCV 0.8727
533 A64 0.8727
534 VT3 0.8727
535 ZYC 0.8726
536 1FL 0.8722
537 T21 0.8721
538 ESE 0.8721
539 3Q0 0.8719
540 B61 0.8719
541 DXK 0.8716
542 4Z9 0.8714
543 FMQ 0.8713
544 9EG 0.8711
545 4NP 0.8711
546 3R4 0.8710
547 LOT 0.8709
548 LZ4 0.8709
549 U55 0.8709
550 6T5 0.8707
551 4BY 0.8706
552 TFX 0.8706
553 M3W 0.8704
554 57D 0.8704
555 3D1 0.8704
556 AES 0.8700
557 HL6 0.8699
558 PNP 0.8699
559 FCD 0.8696
560 4HG 0.8696
561 DDC 0.8694
562 DHT 0.8693
563 UN9 0.8692
564 0QA 0.8691
565 NIY 0.8690
566 1UR 0.8689
567 UNJ 0.8687
568 IPJ 0.8687
569 2L2 0.8686
570 FTK 0.8686
571 TFQ 0.8685
572 LWA 0.8684
573 AN3 0.8683
574 AQN 0.8683
575 37E 0.8680
576 39Z 0.8680
577 UL1 0.8677
578 CFA 0.8676
579 4BL 0.8675
580 91F 0.8674
581 FT2 0.8673
582 G6P 0.8671
583 R18 0.8670
584 108 0.8666
585 3WK 0.8666
586 B15 0.8664
587 5XL 0.8663
588 K80 0.8662
589 0NX 0.8661
590 JF5 0.8661
591 7PS 0.8661
592 F36 0.8660
593 6FX 0.8659
594 DT7 0.8656
595 DUR 0.8656
596 9KZ 0.8656
597 5XM 0.8656
598 PTR 0.8655
599 18E 0.8655
600 6ZE 0.8655
601 AGI 0.8653
602 IMH 0.8653
603 ESZ 0.8653
604 1SF 0.8652
605 OSP 0.8651
606 4MB 0.8651
607 BIH 0.8650
608 27M 0.8650
609 1EL 0.8648
610 6WR 0.8646
611 SJK 0.8645
612 E9S 0.8640
613 TES 0.8639
614 6ZX 0.8637
615 MUK 0.8635
616 MT6 0.8634
617 6KT 0.8634
618 5CK 0.8633
619 O53 0.8630
620 JGB 0.8625
621 ENO 0.8625
622 7LU 0.8624
623 RKN 0.8624
624 5WW 0.8623
625 S1C 0.8621
626 S62 0.8621
627 SOJ 0.8620
628 M5A 0.8619
629 SSY 0.8616
630 HCC 0.8614
631 LJ3 0.8613
632 E98 0.8611
633 JTE 0.8610
634 MQR 0.8602
635 3AD 0.8602
636 0RY 0.8600
637 OSY 0.8594
638 LPA 0.8589
639 DTY 0.8586
640 E1K 0.8583
641 E92 0.8583
642 DX8 0.8583
643 A4D 0.8582
644 5CQ 0.8582
645 LL1 0.8581
646 62D 0.8577
647 4NS 0.8574
648 AMR 0.8574
649 2UD 0.8572
650 RDT 0.8570
651 CNI 0.8554
652 5TZ 0.8554
653 3W6 0.8549
654 3W3 0.8549
655 HHS 0.8543
656 NVS 0.8542
657 IXG 0.8541
658 6JM 0.8539
659 NAG 0.8539
660 THA 0.8533
661 ANC 0.8532
662 RVE 0.8526
663 HWB 0.8520
664 244 0.8515
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2D1S; Ligand: SLU; Similar sites found with APoc: 6
This union binding pocket(no: 1) in the query (biounit: 2d1s.bio1) has 31 residues
No: Leader PDB Ligand Sequence Similarity
1 5OE4 3UK 24.3243
2 1AMU AMP 28.1022
3 1RY2 AMP 30.1095
4 5MST AMP 34.1241
5 6IJB AMP 39.3321
6 6IJB A8C 39.3321
APoc FAQ
Feedback