Receptor
PDB id Resolution Class Description Source Keywords
6HDY 2.2 Å EC: 6.2.1.- CRYSTAL STRUCTURE OF 2-HYDROXYISOBUTYRYL-COA LIGASE (HCL) IN POSTADENYLATION STATE IN COMPLEX WITH S3-HB-AMP AQUINCOLA TERTIARICARBONIS LIGASE 2-HYDROXYISOBUTYRATE COA
Ref.: STRUCTURES OF 2-HYDROXYISOBUTYRIC ACID-COA LIGASE R DETERMINANTS OF SUBSTRATE SPECIFICITY AND DESCRIBE MULTI-CONFORMATIONAL CATALYTIC CYCLE. J.MOL.BIOL. V. 431 2747 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:504;
A:505;
A:503;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
96.063 O4 S [O-]S...
3HL A:501;
 Valid;
 none;
 submit data
104.105 C4 H8 O3 C[C@@...
8LQ A:502;
 Valid;
 none;
 submit data
433.31 C14 H20 N5 O9 P C[C@@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HE2 2.3 Å EC: 6.2.1.- CRYSTAL STRUCTURE OF AN OPEN CONFORMATION OF 2-HYDROXYISOBUT LIGASE (HCL) IN COMPLEX WITH 2-HIB-AMP AND COA AQUINCOLA TERTIARICARBONIS LIGASE 2-HYDROXYISOBUTYRATE COA
Ref.: STRUCTURES OF 2-HYDROXYISOBUTYRIC ACID-COA LIGASE R DETERMINANTS OF SUBSTRATE SPECIFICITY AND DESCRIBE MULTI-CONFORMATIONAL CATALYTIC CYCLE. J.MOL.BIOL. V. 431 2747 2019
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 10 families.
1 6HDW - 8LE C14 H20 N5 O9 P CC(C)(C(=O....
2 6HDY - 3HL C4 H8 O3 C[C@@H](CC....
3 6HDX - 8LH C14 H20 N5 O9 P C[C@H](CO)....
4 6HE0 - 8LE C14 H20 N5 O9 P CC(C)(C(=O....
5 6HE2 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 9 families.
1 6HDW - 8LE C14 H20 N5 O9 P CC(C)(C(=O....
2 6HDY - 3HL C4 H8 O3 C[C@@H](CC....
3 6HDX - 8LH C14 H20 N5 O9 P C[C@H](CO)....
4 6HE0 - 8LE C14 H20 N5 O9 P CC(C)(C(=O....
5 6HE2 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 6HDW - 8LE C14 H20 N5 O9 P CC(C)(C(=O....
2 6HDY - 3HL C4 H8 O3 C[C@@H](CC....
3 6HDX - 8LH C14 H20 N5 O9 P C[C@H](CO)....
4 6HE0 - 8LE C14 H20 N5 O9 P CC(C)(C(=O....
5 6HE2 - AMP C10 H14 N5 O7 P c1nc(c2c(n....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3HL; Similar ligands found: 9
No: Ligand ECFP6 Tc MDL keys Tc
1 3HL 1 1
2 3HR 1 1
3 IVA 0.631579 0.611111
4 3HG 0.55 0.7
5 LMR 0.5 0.666667
6 MLT 0.5 0.666667
7 GVM 0.444444 0.666667
8 2RH 0.416667 0.666667
9 ICT 0.407407 0.608696
Ligand no: 2; Ligand: 8LQ; Similar ligands found: 428
No: Ligand ECFP6 Tc MDL keys Tc
1 8LQ 1 1
2 5AL 0.785714 0.972603
3 8LH 0.767442 0.972973
4 8QN 0.761364 0.972603
5 CA0 0.756098 0.933333
6 QA7 0.75 0.96
7 KG4 0.746988 0.933333
8 PAJ 0.733333 0.923077
9 SRP 0.727273 0.946667
10 8LE 0.724138 0.934211
11 A2D 0.716049 0.906667
12 AMO 0.714286 0.946667
13 4AD 0.714286 0.934211
14 DLL 0.706522 0.945946
15 OOB 0.703297 0.945946
16 TXA 0.702128 0.946667
17 PTJ 0.702128 0.935065
18 1ZZ 0.702128 0.9
19 BA3 0.698795 0.906667
20 M33 0.694118 0.92
21 WAQ 0.691489 0.922078
22 ADP 0.690476 0.906667
23 B4P 0.690476 0.906667
24 AP5 0.690476 0.906667
25 NB8 0.684211 0.910256
26 ME8 0.684211 0.924051
27 AN2 0.682353 0.894737
28 AT4 0.682353 0.871795
29 A 0.679012 0.905405
30 AMP 0.679012 0.905405
31 PRX 0.678161 0.907895
32 45A 0.674699 0.906667
33 ABM 0.674699 0.906667
34 ADX 0.674419 0.819277
35 LAD 0.673684 0.898734
36 AMP MG 0.670732 0.891892
37 00A 0.670213 0.897436
38 ACP 0.666667 0.907895
39 HEJ 0.666667 0.906667
40 50T 0.666667 0.87013
41 ATP 0.666667 0.906667
42 FA5 0.663265 0.946667
43 3UK 0.663158 0.933333
44 APR 0.659091 0.932432
45 AR6 0.659091 0.932432
46 5FA 0.659091 0.906667
47 AQP 0.659091 0.906667
48 B5V 0.65625 0.921053
49 DAL AMP 0.655914 0.945946
50 AD9 0.651685 0.883117
51 AGS 0.651685 0.860759
52 9ZD 0.648936 0.922078
53 9ZA 0.648936 0.922078
54 B5Y 0.646465 0.934211
55 B5M 0.646465 0.934211
56 OAD 0.645833 0.959459
57 LAQ 0.640777 0.853659
58 AP2 0.639535 0.896104
59 A12 0.639535 0.896104
60 PR8 0.639175 0.8875
61 ACQ 0.637363 0.907895
62 GAP 0.637363 0.907895
63 ANP 0.637363 0.883117
64 9SN 0.636364 0.886076
65 AHX 0.635417 0.886076
66 SRA 0.630952 0.858974
67 SON 0.625 0.946667
68 ATF 0.623656 0.871795
69 YLP 0.619048 0.878049
70 JNT 0.618557 0.907895
71 AU1 0.617977 0.883117
72 6YZ 0.617021 0.907895
73 FYA 0.616162 0.894737
74 3OD 0.616162 0.959459
75 5SV 0.614583 0.8625
76 V2G 0.612903 0.910256
77 9X8 0.612245 0.909091
78 HQG 0.610526 0.92
79 A1R 0.608247 0.873418
80 TYM 0.607477 0.946667
81 ADP MG 0.606742 0.905405
82 ADP BEF 0.606742 0.905405
83 IOT 0.605505 0.845238
84 APC 0.604396 0.896104
85 A22 0.604167 0.894737
86 48N 0.603774 0.935065
87 TAT 0.602151 0.871795
88 T99 0.602151 0.871795
89 4UV 0.601942 0.909091
90 YLB 0.601852 0.901235
91 YLC 0.601852 0.9
92 DQV 0.6 0.92
93 OZV 0.597938 0.906667
94 25A 0.597938 0.906667
95 ADV 0.597826 0.921053
96 RBY 0.597826 0.921053
97 AYB 0.594595 0.890244
98 BT5 0.59292 0.845238
99 XAH 0.592233 0.853659
100 A3R 0.591837 0.873418
101 ADQ 0.591837 0.907895
102 4UU 0.590476 0.909091
103 GA7 0.590476 0.921053
104 YLA 0.585586 0.855422
105 4UW 0.583333 0.898734
106 APC MG 0.580645 0.881579
107 ATP MG 0.580645 0.905405
108 ADP PO3 0.580645 0.905405
109 MYR AMP 0.578431 0.876543
110 BEF ADP 0.574468 0.881579
111 AP0 0.572727 0.8625
112 TSB 0.571429 0.811765
113 NAI 0.568807 0.873418
114 DND 0.568807 0.921053
115 NAX 0.568807 0.864198
116 BIS 0.568627 0.85
117 KMQ 0.567308 0.921053
118 CNA 0.566372 0.896104
119 OMR 0.563636 0.888889
120 LMS 0.563218 0.797619
121 25L 0.563107 0.894737
122 AFH 0.560748 0.875
123 VO4 ADP 0.556701 0.883117
124 A5A 0.556701 0.821429
125 ANP MG 0.556701 0.894737
126 ALF ADP 0.556701 0.8375
127 GTA 0.555556 0.853659
128 MAP 0.555556 0.860759
129 6V0 0.554545 0.8625
130 TXD 0.554545 0.873418
131 G3A 0.551402 0.8625
132 AOC 0.550562 0.789474
133 TXE 0.54955 0.873418
134 F2R 0.547826 0.855422
135 A3D 0.547009 0.933333
136 ARG AMP 0.546296 0.843373
137 G5P 0.546296 0.8625
138 YLY 0.546219 0.890244
139 VMS 0.545455 0.802326
140 52H 0.545455 0.793103
141 54H 0.545455 0.802326
142 L3W 0.544643 0.896104
143 5AS 0.543478 0.772727
144 NAD 0.543103 0.92
145 COD 0.543103 0.847059
146 TAD 0.541284 0.875
147 JB6 0.538462 0.873418
148 NAQ 0.53719 0.886076
149 ALF ADP 3PG 0.535714 0.875
150 LEU LMS 0.533981 0.804598
151 80F 0.533898 0.855422
152 M24 0.533333 0.864198
153 N0B 0.532787 0.855422
154 7MD 0.53211 0.876543
155 LPA AMP 0.531532 0.831325
156 ADN 0.530864 0.786667
157 RAB 0.530864 0.786667
158 XYA 0.530864 0.786667
159 T5A 0.530435 0.855422
160 ADJ 0.530435 0.821429
161 5CD 0.53012 0.773333
162 LSS 0.529412 0.816092
163 D4F 0.528926 0.853659
164 AMP DBH 0.527778 0.858974
165 G5A 0.525773 0.793103
166 53H 0.524752 0.793103
167 ATP A 0.523364 0.893333
168 ATP A A A 0.523364 0.893333
169 AF3 ADP 3PG 0.522124 0.875
170 SSA 0.52 0.793103
171 ADP BMA 0.519231 0.883117
172 5N5 0.518072 0.763158
173 NAD IBO 0.517544 0.906667
174 NAD TDB 0.517544 0.906667
175 7MC 0.517544 0.878049
176 NAE 0.516393 0.934211
177 A3P 0.516129 0.905405
178 PAP 0.515464 0.893333
179 NSS 0.514563 0.793103
180 DSZ 0.514563 0.813953
181 UP5 0.513274 0.884615
182 A4P 0.513043 0.793103
183 EAD 0.512 0.864198
184 A4D 0.511905 0.763158
185 EP4 0.511628 0.769231
186 5CA 0.509804 0.793103
187 NVA LMS 0.509615 0.806818
188 9K8 0.509434 0.747253
189 AHZ 0.508929 0.853659
190 M2T 0.505747 0.75
191 DTA 0.505747 0.75641
192 3DH 0.505618 0.766234
193 2A5 0.505155 0.858974
194 UPA 0.504348 0.873418
195 4TC 0.504348 0.886076
196 139 0.504274 0.841463
197 BTX 0.504202 0.833333
198 FB0 0.5 0.818182
199 MTA 0.5 0.789474
200 DZD 0.5 0.875
201 PPS 0.5 0.797619
202 3AM 0.5 0.866667
203 ATR 0.5 0.88
204 P1H 0.496124 0.865854
205 NDE 0.496124 0.896104
206 ZID 0.496 0.907895
207 8PZ 0.495413 0.793103
208 8X1 0.495146 0.766667
209 5X8 0.494845 0.802632
210 H1Q 0.494845 0.868421
211 7D5 0.494382 0.820513
212 NAJ PZO 0.491803 0.839506
213 AMP NAD 0.491667 0.92
214 YSA 0.490909 0.793103
215 SMM 0.490196 0.761905
216 7D3 0.489362 0.822785
217 6MZ 0.489362 0.893333
218 6RE 0.48913 0.731707
219 P5A 0.485981 0.758242
220 GSU 0.485981 0.813953
221 KAA 0.485981 0.766667
222 A2R 0.485437 0.92
223 EEM 0.485149 0.768293
224 6AD 0.485149 0.851852
225 SA8 0.484848 0.7875
226 7D4 0.484536 0.822785
227 ITT 0.484536 0.855263
228 MAO 0.484211 0.795181
229 A2P 0.484211 0.891892
230 HFD 0.48 0.860759
231 SAI 0.48 0.772152
232 JSQ 0.48 0.860759
233 SFG 0.479592 0.789474
234 A3T 0.479592 0.813333
235 J7C 0.478723 0.740741
236 FNK 0.478261 0.818182
237 AR6 AR6 0.477876 0.906667
238 NDC 0.477273 0.8625
239 NWW 0.476744 0.72973
240 NAJ PYZ 0.47619 0.8
241 S7M 0.475728 0.746988
242 SAM 0.475248 0.768293
243 6IA 0.475248 0.851852
244 S4M 0.473684 0.701149
245 ARU 0.46729 0.807229
246 0WD 0.467213 0.8625
247 2SA 0.466019 0.921053
248 KOY 0.465517 0.818182
249 SAH 0.465347 0.782051
250 CUU 0.464646 0.906667
251 B1U 0.464286 0.731183
252 IMO 0.463158 0.866667
253 A3N 0.463158 0.734177
254 ZAS 0.462366 0.7375
255 4YB 0.46087 0.795455
256 3AT 0.460784 0.906667
257 V3L 0.460784 0.932432
258 FDA 0.459259 0.825581
259 A7D 0.459184 0.769231
260 NJP 0.459016 0.884615
261 J4G 0.458716 0.934211
262 GJV 0.458333 0.722892
263 WSA 0.457627 0.802326
264 NO7 0.457143 0.848101
265 2AM 0.456522 0.855263
266 A5D 0.455446 0.75641
267 4TA 0.455285 0.843373
268 MHZ 0.454545 0.732558
269 SXZ 0.454545 0.790123
270 8Q2 0.453782 0.766667
271 DSH 0.452632 0.719512
272 NEC 0.452632 0.74026
273 A3G 0.452632 0.792208
274 5AD 0.452381 0.739726
275 AV2 0.451923 0.833333
276 LQJ 0.451327 0.881579
277 O02 0.45098 0.8625
278 6C6 0.45098 0.848101
279 2VA 0.45 0.792208
280 38V 0.449612 0.853659
281 QXG 0.449541 0.730337
282 NA7 0.449541 0.896104
283 SFD 0.449275 0.747368
284 QXP 0.448598 0.738636
285 AVV 0.448598 0.8625
286 V47 0.447619 0.8
287 C2R 0.445652 0.868421
288 AMZ 0.445652 0.855263
289 6FA 0.445255 0.855422
290 0UM 0.444444 0.777778
291 A3S 0.444444 0.802632
292 7C5 0.443478 0.810127
293 NDP 0.442623 0.8625
294 NPW 0.442623 0.853659
295 OVE 0.442105 0.822785
296 3HC 0.441176 0.827586
297 ETB 0.440945 0.847059
298 DCA 0.440945 0.837209
299 NWQ 0.44086 0.733333
300 62X 0.440367 0.741176
301 GGZ 0.439252 0.77381
302 FAS 0.438849 0.865854
303 FAD 0.438849 0.865854
304 9JJ 0.438356 0.831325
305 SO8 0.436893 0.805195
306 K15 0.436364 0.759036
307 A6D 0.436364 0.697674
308 F2N 0.436242 0.806818
309 DAT 0.435644 0.846154
310 GEK 0.435185 0.775
311 0T1 0.434109 0.837209
312 COA 0.434109 0.837209
313 649 0.433333 0.758242
314 DTP 0.432692 0.846154
315 P5F 0.432432 0.837209
316 R2V 0.432432 0.738636
317 Y3J 0.431818 0.697368
318 NA0 0.431818 0.921053
319 7DD 0.43 0.893333
320 K3K 0.429825 0.75
321 OZP 0.428571 0.765432
322 AAT 0.428571 0.702381
323 N5A 0.428571 0.730769
324 NAP 0.427481 0.907895
325 TXP 0.427419 0.8625
326 NZQ 0.427419 0.875
327 NVA 2AD 0.427184 0.797468
328 62F 0.426573 0.853659
329 CO6 0.426471 0.818182
330 PGS 0.425743 0.804878
331 KB1 0.424779 0.73494
332 COS 0.424242 0.818182
333 30N 0.424242 0.765957
334 71V 0.424242 0.82716
335 Z5A 0.424242 0.793103
336 AMX 0.424242 0.847059
337 CAO 0.424242 0.808989
338 ODP 0.424 0.851852
339 FAY 0.423611 0.876543
340 PO4 PO4 A A A A PO4 0.423423 0.866667
341 2MC 0.423358 0.782609
342 N5O 0.42268 0.75641
343 NAD BBN 0.422535 0.811765
344 K3E 0.422414 0.740741
345 6K6 0.422018 0.868421
346 N01 0.421875 0.92
347 CMX 0.421053 0.858824
348 NIA 0.421053 0.771084
349 SCO 0.421053 0.858824
350 RFL 0.42069 0.835294
351 NHD 0.420635 0.894737
352 IVC 0.42029 0.827586
353 3NZ 0.419643 0.797468
354 MCD 0.419118 0.83908
355 YZS 0.419118 0.742268
356 KGP 0.419118 0.742268
357 FAI 0.418367 0.855263
358 FAM 0.41791 0.818182
359 ACO 0.41791 0.808989
360 FCX 0.41791 0.829545
361 7DT 0.417476 0.893333
362 SO5 0.417266 0.752577
363 LCV 0.417266 0.752577
364 NAD CJ3 0.416667 0.784091
365 K2R 0.415929 0.894737
366 ANZ 0.415254 0.75
367 HAX 0.414815 0.818182
368 DAL FAD PER 0.414474 0.78022
369 FA9 0.414474 0.855422
370 N6P 0.414414 0.853333
371 K2H 0.414414 0.75
372 NFD 0.414062 0.873418
373 7D7 0.413793 0.714286
374 DG1 0.413534 0.8625
375 1DG 0.413534 0.8625
376 SCD 0.413043 0.858824
377 CAJ 0.413043 0.83908
378 D3Y 0.412844 0.782051
379 FAD NBT 0.412162 0.744681
380 FYN 0.411765 0.837209
381 3KK 0.411765 0.818182
382 KXW 0.411765 0.743902
383 V1N 0.410256 0.906667
384 A1S 0.410072 0.818182
385 N37 0.409836 0.772152
386 VRT 0.409524 0.807692
387 XNP 0.409449 0.819277
388 CA6 0.408759 0.742268
389 OXK 0.408759 0.83908
390 SOP 0.408759 0.818182
391 COK 0.408759 0.818182
392 HZ2 0.408333 0.746988
393 D5M 0.408163 0.844156
394 DA 0.408163 0.844156
395 MCA 0.407143 0.829545
396 CAA 0.407143 0.827586
397 K2K 0.40708 0.710843
398 F0P 0.406504 0.765432
399 Q2M 0.406504 0.72619
400 Q34 0.406504 0.709302
401 NMX 0.405797 0.774194
402 1VU 0.405797 0.808989
403 CMC 0.405797 0.83908
404 CNV FAD 0.405405 0.786517
405 ZZB 0.404762 0.747126
406 YXR 0.404255 0.742268
407 YXS 0.404255 0.742268
408 2CP 0.404255 0.829545
409 AAM 0.40404 0.905405
410 APU 0.403226 0.860759
411 J7V 0.402985 0.825581
412 TAP 0.402985 0.85
413 KYE 0.401709 0.729412
414 EU9 0.401639 0.719101
415 HGG 0.401408 0.83908
416 IRC 0.401408 0.827586
417 KGA 0.401408 0.776596
418 1HE 0.4 0.8
419 7L1 0.4 0.808989
420 SLU 0.4 0.764045
421 1CZ 0.4 0.829545
422 MLC 0.4 0.83908
423 PLP AAD 0.4 0.747253
424 KY2 0.4 0.705882
425 BCO 0.4 0.818182
426 FAJ 0.4 0.845238
427 KH3 0.4 0.75
428 KGJ 0.4 0.765957
Similar Ligands (3D)
Ligand no: 1; Ligand: 3HL; Similar ligands found: 400
No: Ligand Similarity coefficient
1 MLI 1.0000
2 MLA 0.9990
3 DMG 0.9934
4 MLM 0.9929
5 AAE 0.9907
6 P2D 0.9902
7 C5J 0.9890
8 IPU 0.9719
9 KIV 0.9676
10 BU4 0.9674
11 VAL 0.9643
12 2PC 0.9635
13 2HE 0.9630
14 HV2 0.9610
15 JBN 0.9604
16 KG7 0.9603
17 MSF 0.9598
18 SSN 0.9593
19 BUA 0.9584
20 JAB 0.9583
21 DTL 0.9555
22 PRO 0.9549
23 FOA 0.9545
24 DPR 0.9542
25 LEA 0.9540
26 AOA 0.9536
27 CP 0.9535
28 BAL 0.9525
29 IHG 0.9522
30 HDA 0.9509
31 TFB 0.9508
32 ALO 0.9506
33 3PY 0.9502
34 PAE 0.9494
35 OXL 0.9494
36 PRS 0.9491
37 BAE 0.9482
38 MPD 0.9480
39 3OH 0.9478
40 CYS 0.9477
41 SMV 0.9474
42 THR 0.9473
43 BMD 0.9469
44 2KT 0.9468
45 3BB 0.9463
46 SAR 0.9457
47 TZC 0.9455
48 AKB 0.9451
49 MTG 0.9447
50 BXO 0.9446
51 T2C 0.9445
52 TP5 0.9444
53 SLP 0.9438
54 NVI 0.9437
55 DCL 0.9436
56 SER 0.9435
57 192 0.9433
58 PPF 0.9432
59 ABU 0.9426
60 CHT 0.9424
61 DAL 0.9420
62 273 0.9409
63 POA 0.9401
64 IQ0 0.9399
65 PYR 0.9391
66 DE2 0.9389
67 SIN 0.9384
68 CEJ 0.9379
69 MAK 0.9378
70 C21 0.9374
71 DBB 0.9371
72 8X3 0.9368
73 2OP 0.9368
74 MZ0 0.9366
75 BVG 0.9365
76 PYC 0.9361
77 1AC 0.9361
78 TB6 0.9356
79 ALQ 0.9341
80 SAT 0.9339
81 TZL 0.9338
82 ZBT 0.9338
83 1SP 0.9337
84 NMG 0.9333
85 HVQ 0.9332
86 BVC 0.9332
87 SMB 0.9327
88 7VD 0.9323
89 PCT 0.9318
90 MAE 0.9311
91 DXX 0.9310
92 FCN 0.9310
93 TF4 0.9308
94 S0H 0.9305
95 HYP 0.9300
96 JZ5 0.9296
97 FW5 0.9292
98 PRI 0.9292
99 LAC 0.9291
100 ALA 0.9288
101 HBS 0.9280
102 BTL 0.9279
103 GLY ALA 0.9273
104 39J 0.9272
105 MRY 0.9272
106 DSN 0.9271
107 ITU 0.9262
108 2EZ 0.9257
109 H95 0.9256
110 4MV 0.9254
111 XBT 0.9252
112 23W 0.9251
113 TAY 0.9251
114 XAP 0.9248
115 1DU 0.9244
116 OXM 0.9244
117 HX2 0.9243
118 03W 0.9238
119 2RA 0.9236
120 TAU 0.9234
121 C2N 0.9229
122 ETX 0.9227
123 THE 0.9224
124 DGY 0.9221
125 HSM 0.9217
126 5AC 0.9210
127 P7I 0.9209
128 HSE 0.9200
129 HUI 0.9199
130 GAG 0.9199
131 HBR 0.9195
132 GBD 0.9194
133 ABA 0.9191
134 OXQ 0.9184
135 LER 0.9181
136 UY7 0.9181
137 MZW 0.9180
138 69O 0.9178
139 HIU 0.9174
140 ODV 0.9169
141 NAK 0.9169
142 9X7 0.9164
143 IPH 0.9164
144 A2Q 0.9162
145 XPO 0.9161
146 BUB 0.9161
147 4HA 0.9159
148 GOL 0.9156
149 EGD 0.9147
150 1DQ 0.9145
151 UYA 0.9145
152 A3B 0.9139
153 ETM 0.9135
154 OAA 0.9133
155 2IM 0.9133
156 APY 0.9132
157 40E 0.9130
158 60P 0.9129
159 HCS 0.9127
160 OXD 0.9126
161 BEN 0.9121
162 PUT 0.9120
163 BUQ 0.9120
164 ETF 0.9120
165 PE9 0.9118
166 SS2 0.9117
167 ISU 0.9116
168 FJO 0.9114
169 VAH 0.9109
170 FUM 0.9109
171 282 0.9106
172 DSS 0.9105
173 LLQ 0.9102
174 SGL 0.9095
175 A8C 0.9090
176 ILE 0.9089
177 YCP 0.9088
178 HZP 0.9083
179 NXA 0.9080
180 9YL 0.9079
181 BEZ 0.9079
182 13D 0.9076
183 A20 0.9076
184 NCA 0.9074
185 54D 0.9073
186 DUC 0.9073
187 DAS 0.9071
188 SYN 0.9068
189 FLA 0.9068
190 NIO 0.9066
191 OHG 0.9066
192 DCY 0.9065
193 PZA 0.9063
194 V1L 0.9061
195 CXL 0.9058
196 M6W 0.9058
197 BAM 0.9056
198 QFH 0.9053
199 CSS 0.9053
200 CRN 0.9051
201 FMS 0.9050
202 RB5 0.9050
203 XYL 0.9050
204 ABN 0.9049
205 BAQ 0.9047
206 HPY 0.9046
207 OPE 0.9045
208 PCA 0.9040
209 HBX 0.9038
210 ASN 0.9035
211 SS1 0.9033
212 M58 0.9032
213 TFS 0.9028
214 COI 0.9027
215 BP9 0.9024
216 6PC 0.9022
217 3CL 0.9019
218 ISZ 0.9018
219 H3M 0.9018
220 EFS 0.9015
221 L60 0.9013
222 GG6 0.9013
223 24T 0.9012
224 IOM 0.9010
225 9A7 0.9009
226 QSC 0.9008
227 CYH 0.9006
228 TEO 0.9005
229 AMC 0.9005
230 COM 0.9002
231 BUO 0.8995
232 PPV 0.8995
233 AML 0.8994
234 FPI 0.8993
235 XLS 0.8986
236 BNS 0.8983
237 PGA 0.8983
238 2MH 0.8982
239 9A4 0.8981
240 6SP 0.8979
241 2PN 0.8976
242 9SB 0.8975
243 GBL 0.8974
244 ASP 0.8973
245 93B 0.8971
246 ITN 0.8970
247 AC5 0.8970
248 98J 0.8968
249 1MR 0.8968
250 NVA 0.8967
251 265 0.8966
252 1CB 0.8966
253 MMQ 0.8959
254 NIS 0.8957
255 VX 0.8956
256 IT2 0.8956
257 POP 0.8954
258 PAH 0.8953
259 DTU 0.8950
260 FQI 0.8948
261 PBC 0.8948
262 PYJ 0.8947
263 CRD 0.8944
264 CMS 0.8942
265 3ZS 0.8928
266 CIZ 0.8924
267 JYD 0.8919
268 PYM 0.8916
269 PY7 0.8915
270 UNU 0.8909
271 23B 0.8906
272 NBE 0.8902
273 280 0.8900
274 B24 0.8899
275 GLY 0.8899
276 RSF 0.8894
277 F3V 0.8893
278 PPI 0.8893
279 4JU 0.8892
280 ATQ 0.8892
281 3SS 0.8889
282 HY3 0.8889
283 HLT 0.8884
284 HAI 0.8883
285 NIE 0.8881
286 2HA 0.8877
287 J1Z 0.8876
288 9CL 0.8875
289 FAH 0.8873
290 MEU 0.8871
291 3Q7 0.8861
292 MRZ 0.8855
293 HYN 0.8855
294 TAR 0.8854
295 FBJ 0.8853
296 UGC 0.8840
297 PIS 0.8839
298 PXO 0.8837
299 51F 0.8836
300 7WG 0.8829
301 XUL 0.8822
302 AC0 0.8821
303 LEU 0.8818
304 GLV 0.8817
305 0CL 0.8816
306 IZC 0.8814
307 TZE 0.8812
308 3GR 0.8811
309 GXE 0.8801
310 285 0.8798
311 AKR 0.8798
312 FEH 0.8797
313 GOA 0.8790
314 25T 0.8787
315 4MZ 0.8775
316 1DV 0.8766
317 61G 0.8763
318 RUU 0.8760
319 MBN 0.8751
320 1DH 0.8742
321 DTT 0.8740
322 NMU 0.8739
323 XIX 0.8737
324 2MZ 0.8737
325 O7U 0.8733
326 2AP 0.8731
327 SRT 0.8730
328 CFI 0.8726
329 3AP 0.8726
330 278 0.8723
331 EDG 0.8723
332 13P 0.8722
333 1MZ 0.8720
334 HY1 0.8719
335 PEL 0.8716
336 HRZ 0.8713
337 R3W 0.8713
338 3MT 0.8707
339 HVB 0.8707
340 271 0.8706
341 4AP 0.8705
342 G2H 0.8704
343 MMU 0.8704
344 F50 0.8704
345 9PO 0.8701
346 2AI 0.8700
347 CXF 0.8700
348 3TR 0.8695
349 WOT 0.8694
350 BHO 0.8690
351 HOW 0.8688
352 2A1 0.8687
353 9X6 0.8684
354 AMT 0.8682
355 NHY 0.8680
356 PYF 0.8678
357 PBE 0.8678
358 HVK 0.8677
359 SNE 0.8677
360 JZ6 0.8676
361 D2P 0.8676
362 TLA 0.8676
363 HAE 0.8672
364 SPA 0.8670
365 PAF 0.8664
366 GXV 0.8664
367 MR3 0.8663
368 PEA 0.8663
369 LG4 0.8652
370 PLQ 0.8651
371 BYZ 0.8643
372 KPL 0.8640
373 5KX 0.8639
374 LGA 0.8638
375 25R 0.8631
376 AGU 0.8629
377 34V 0.8624
378 HQE 0.8623
379 PKU 0.8622
380 MXN 0.8621
381 GLU 0.8621
382 PCR 0.8618
383 CEE 0.8618
384 NIZ 0.8613
385 PEP 0.8611
386 ORN 0.8608
387 DA1 0.8606
388 1AB 0.8604
389 ES3 0.8601
390 URQ 0.8598
391 PXY 0.8597
392 FPN 0.8594
393 1BP 0.8594
394 BXA 0.8591
395 RSO 0.8588
396 LDU 0.8568
397 YHO 0.8567
398 BE2 0.8549
399 SAL 0.8548
400 PYZ 0.8531
Ligand no: 2; Ligand: 8LQ; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6HE2; Ligand: COA; 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: 6he2.bio1) has 51 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6HE2; Ligand: 8LE; 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: 6he2.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6HE2; Ligand: COA; 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: 6he2.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 6HE2; Ligand: AMP; 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: 6he2.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 6HE2; Ligand: AMP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 6he2.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 6HE2; Ligand: 8LE; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 6he2.bio1) has 49 residues
No: Leader PDB Ligand Sequence Similarity
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