Receptor
PDB id Resolution Class Description Source Keywords
6HDX 2.2 Å EC: 6.2.1.- CRYSTAL STRUCTURE OF 2-HYDROXYISOBUTYRYL-COA LIGASE (HCL) IN POSTADENYLATION STATE IN COMPLEX WITH R3-HIB-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
HIU A:502;
 Valid;
 none;
 submit data
104.105 C4 H8 O3 C[C@H...
8LH A:501;
 Valid;
 none;
 submit data
433.31 C14 H20 N5 O9 P C[C@H...
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: HIU; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 HUI 1 1
2 HIU 1 1
3 DGY 0.47619 0.652174
Ligand no: 2; Ligand: 8LH; Similar ligands found: 392
No: Ligand ECFP6 Tc MDL keys Tc
1 8LH 1 1
2 5AL 0.873418 0.972603
3 SRP 0.807229 0.946667
4 8QN 0.8 0.972603
5 KG4 0.7875 0.933333
6 CA0 0.775 0.933333
7 PAJ 0.770115 0.948052
8 8LQ 0.767442 0.972973
9 4AD 0.75 0.909091
10 AMO 0.75 0.921053
11 QA7 0.747126 0.96
12 8LE 0.741176 0.934211
13 PTJ 0.736264 0.935065
14 ME8 0.736264 0.9
15 A2D 0.734177 0.906667
16 LAD 0.725275 0.898734
17 NB8 0.717391 0.886076
18 BA3 0.716049 0.906667
19 FA5 0.712766 0.921053
20 M33 0.710843 0.92
21 AP5 0.707317 0.906667
22 ADP 0.707317 0.906667
23 B4P 0.707317 0.906667
24 DLL 0.703297 0.945946
25 TXA 0.698925 0.946667
26 AN2 0.698795 0.894737
27 AT4 0.698795 0.871795
28 A 0.696203 0.905405
29 AMP 0.696203 0.905405
30 PRX 0.694118 0.907895
31 45A 0.691358 0.906667
32 ABM 0.691358 0.906667
33 ADX 0.690476 0.819277
34 ATP 0.682353 0.906667
35 HEJ 0.682353 0.906667
36 50T 0.682353 0.87013
37 ACP 0.682353 0.883117
38 OOB 0.681319 0.945946
39 AR6 0.674419 0.932432
40 AQP 0.674419 0.906667
41 APR 0.674419 0.932432
42 5FA 0.674419 0.906667
43 DAL AMP 0.67033 0.945946
44 AHX 0.666667 0.886076
45 AMP MG 0.666667 0.891892
46 00A 0.666667 0.897436
47 AGS 0.666667 0.860759
48 AD9 0.666667 0.883117
49 YLP 0.663366 0.878049
50 1ZZ 0.663158 0.9
51 9ZA 0.663043 0.922078
52 9ZD 0.663043 0.922078
53 3UK 0.659574 0.933333
54 AP2 0.654762 0.871795
55 A12 0.654762 0.871795
56 WAQ 0.652632 0.897436
57 PR8 0.652632 0.8875
58 B5V 0.652632 0.921053
59 ANP 0.651685 0.883117
60 ACQ 0.651685 0.883117
61 SRA 0.646341 0.858974
62 YLC 0.644231 0.9
63 YLB 0.644231 0.901235
64 B5M 0.642857 0.934211
65 B5Y 0.642857 0.934211
66 OAD 0.642105 0.959459
67 ATF 0.637363 0.871795
68 TYM 0.634615 0.921053
69 GAP 0.633333 0.933333
70 9SN 0.632653 0.886076
71 AU1 0.632184 0.883117
72 JNT 0.631579 0.907895
73 6YZ 0.630435 0.883117
74 4UV 0.63 0.909091
75 3OD 0.628866 0.959459
76 5SV 0.62766 0.8625
77 V2G 0.626374 0.910256
78 9X8 0.625 0.909091
79 HQG 0.623656 0.92
80 A1R 0.621053 0.873418
81 SON 0.62069 0.921053
82 ADP BEF 0.62069 0.905405
83 ADP MG 0.62069 0.905405
84 AYB 0.62037 0.890244
85 APC 0.617977 0.871795
86 4UU 0.617647 0.909091
87 A22 0.617021 0.894737
88 TAT 0.615385 0.871795
89 T99 0.615385 0.871795
90 FYA 0.612245 0.87013
91 RBY 0.611111 0.896104
92 ADV 0.611111 0.896104
93 YLA 0.611111 0.855422
94 25A 0.610526 0.906667
95 OZV 0.610526 0.906667
96 4UW 0.609524 0.898734
97 ADQ 0.604167 0.933333
98 A3R 0.604167 0.873418
99 XAH 0.60396 0.853659
100 GA7 0.601942 0.921053
101 48N 0.6 0.910256
102 ATP MG 0.593407 0.905405
103 APC MG 0.593407 0.881579
104 ADP PO3 0.593407 0.905405
105 LAQ 0.590476 0.853659
106 BEF ADP 0.586957 0.881579
107 A5A 0.585106 0.821429
108 YLY 0.582609 0.890244
109 DQV 0.580952 0.92
110 BIS 0.58 0.85
111 KMQ 0.578431 0.921053
112 LMS 0.576471 0.797619
113 25L 0.574257 0.894737
114 MYR AMP 0.574257 0.876543
115 IOT 0.572727 0.845238
116 AFH 0.571429 0.875
117 AP0 0.568807 0.8625
118 VO4 ADP 0.568421 0.883117
119 ALF ADP 0.568421 0.8375
120 ANP MG 0.568421 0.894737
121 TSB 0.56701 0.811765
122 MAP 0.56701 0.860759
123 NAI 0.564815 0.873418
124 TXD 0.564815 0.873418
125 G3A 0.561905 0.8625
126 TXE 0.559633 0.873418
127 OMR 0.559633 0.888889
128 VMS 0.556701 0.802326
129 54H 0.556701 0.802326
130 G5P 0.556604 0.8625
131 ARG AMP 0.556604 0.843373
132 5AS 0.555556 0.793103
133 N0B 0.554622 0.855422
134 L3W 0.554545 0.896104
135 GTA 0.551402 0.853659
136 TAD 0.551402 0.851852
137 NAX 0.550459 0.841463
138 DND 0.550459 0.921053
139 6V0 0.550459 0.8625
140 SSA 0.546392 0.793103
141 AOC 0.545455 0.789474
142 LEU LMS 0.544554 0.784091
143 XYA 0.544304 0.810811
144 ADN 0.544304 0.810811
145 RAB 0.544304 0.810811
146 F2R 0.54386 0.855422
147 5CD 0.54321 0.773333
148 M24 0.542373 0.864198
149 52H 0.540816 0.793103
150 LSS 0.54 0.795455
151 COD 0.53913 0.847059
152 G5A 0.536842 0.793103
153 UP5 0.536364 0.884615
154 5CA 0.535354 0.793103
155 53H 0.535354 0.793103
156 CNA 0.535088 0.896104
157 BT5 0.534483 0.823529
158 JB6 0.533981 0.85
159 2A5 0.531915 0.858974
160 5N5 0.530864 0.786667
161 80F 0.529915 0.833333
162 ADP BMA 0.529412 0.907895
163 7MD 0.527778 0.876543
164 4TC 0.526786 0.8625
165 UPA 0.526786 0.897436
166 T5A 0.526316 0.833333
167 D4F 0.525 0.853659
168 A4D 0.52439 0.786667
169 EP4 0.52381 0.769231
170 AMP DBH 0.523364 0.858974
171 NAQ 0.520661 0.886076
172 NVA LMS 0.519608 0.786517
173 AHZ 0.518182 0.853659
174 ALF ADP 3PG 0.517857 0.851852
175 AF3 ADP 3PG 0.517857 0.851852
176 M2T 0.517647 0.75
177 DTA 0.517647 0.75641
178 3DH 0.517241 0.766234
179 A3D 0.516949 0.933333
180 LPA AMP 0.513514 0.831325
181 7MC 0.513274 0.878049
182 ADJ 0.513043 0.821429
183 139 0.513043 0.864198
184 NAD 0.512821 0.92
185 MTA 0.511628 0.789474
186 A3P 0.51087 0.905405
187 PAP 0.510417 0.893333
188 ATR 0.510417 0.88
189 DSZ 0.509804 0.793103
190 NSS 0.509804 0.772727
191 A4P 0.508772 0.813953
192 7D5 0.505747 0.844156
193 5X8 0.505263 0.779221
194 H1Q 0.505263 0.868421
195 8X1 0.504951 0.766667
196 9K8 0.504762 0.747253
197 ATP A A A 0.504673 0.893333
198 ATP A 0.504673 0.893333
199 7D3 0.5 0.846154
200 6RE 0.5 0.731707
201 SMM 0.5 0.741176
202 NAE 0.5 0.934211
203 EAD 0.496 0.864198
204 KAA 0.495238 0.766667
205 P5A 0.495238 0.758242
206 GSU 0.495238 0.793103
207 A2R 0.49505 0.92
208 PPS 0.494949 0.797619
209 EEM 0.494949 0.746988
210 6AD 0.494949 0.851852
211 SA8 0.494845 0.765432
212 7D4 0.494737 0.846154
213 ITT 0.494737 0.855263
214 A2P 0.494624 0.891892
215 3AM 0.494382 0.891892
216 ARU 0.490385 0.807229
217 SFG 0.489583 0.766234
218 J7C 0.48913 0.740741
219 NWW 0.488095 0.72973
220 BTX 0.487395 0.811765
221 AMP NAD 0.487395 0.92
222 NAD IBO 0.486957 0.906667
223 NAD TDB 0.486957 0.906667
224 AR6 AR6 0.486486 0.906667
225 YSA 0.486239 0.772727
226 SAM 0.484848 0.746988
227 FB0 0.484615 0.818182
228 6MZ 0.483871 0.893333
229 S4M 0.483871 0.701149
230 DZD 0.483333 0.851852
231 5AD 0.481481 0.739726
232 P1H 0.48062 0.865854
233 ZID 0.48 0.907895
234 MAO 0.478723 0.77381
235 8PZ 0.477064 0.772727
236 NAJ PZO 0.47541 0.839506
237 HFD 0.474747 0.860759
238 JSQ 0.474747 0.860759
239 SAH 0.474747 0.759494
240 SAI 0.474747 0.75
241 A3T 0.474227 0.837838
242 A3N 0.473118 0.75641
243 IMO 0.473118 0.866667
244 ZAS 0.472527 0.7375
245 NA7 0.471698 0.871795
246 GEK 0.471154 0.753086
247 S7M 0.470588 0.72619
248 6IA 0.47 0.851852
249 V3L 0.47 0.932432
250 NDE 0.469231 0.896104
251 A3S 0.46875 0.802632
252 A7D 0.46875 0.769231
253 GJV 0.468085 0.722892
254 J4G 0.46729 0.909091
255 2AM 0.466667 0.88
256 A5D 0.464646 0.75641
257 NEC 0.462366 0.763158
258 A3G 0.462366 0.792208
259 DSH 0.462366 0.719512
260 2SA 0.460784 0.896104
261 NAJ PYZ 0.460317 0.8
262 O02 0.46 0.839506
263 B1U 0.459459 0.731183
264 CUU 0.459184 0.881579
265 AVV 0.457143 0.839506
266 3AT 0.455446 0.881579
267 FNK 0.453237 0.797753
268 WSA 0.452991 0.781609
269 0UM 0.45283 0.777778
270 NO7 0.451923 0.871795
271 OVE 0.451613 0.846154
272 7C5 0.451327 0.810127
273 NDC 0.451128 0.8625
274 0WD 0.45082 0.8625
275 4TA 0.45082 0.821429
276 NWQ 0.450549 0.733333
277 SXZ 0.449541 0.768293
278 MHZ 0.44898 0.732558
279 PGS 0.44898 0.804878
280 62X 0.448598 0.72093
281 KOY 0.448276 0.818182
282 AV2 0.446602 0.833333
283 NZQ 0.446281 0.851852
284 38V 0.445312 0.831325
285 K15 0.444444 0.738095
286 2VA 0.444444 0.815789
287 FDA 0.444444 0.804598
288 DAT 0.444444 0.822785
289 4YB 0.443478 0.775281
290 QXP 0.443396 0.758621
291 NJP 0.442623 0.884615
292 ODP 0.442623 0.851852
293 V47 0.442308 0.8
294 Y3J 0.44186 0.697368
295 DTP 0.441176 0.822785
296 6FA 0.441176 0.833333
297 649 0.440678 0.73913
298 C2R 0.43956 0.868421
299 AMZ 0.43956 0.855263
300 NDP 0.438017 0.8625
301 K3K 0.4375 0.772152
302 8Q2 0.436975 0.747253
303 AAT 0.436893 0.702381
304 NVA 2AD 0.435644 0.797468
305 FAD 0.434783 0.843373
306 SFD 0.434783 0.729167
307 FAS 0.434783 0.843373
308 TXP 0.434426 0.8625
309 GGZ 0.433962 0.77381
310 LQJ 0.433628 0.906667
311 71V 0.43299 0.82716
312 AIR 0.431818 0.84
313 N5O 0.431579 0.75641
314 6C6 0.431373 0.825
315 SO8 0.431373 0.828947
316 QXG 0.431193 0.75
317 K3E 0.429825 0.7625
318 R2V 0.427273 0.758621
319 NPW 0.42623 0.831325
320 DCA 0.425197 0.837209
321 ETB 0.425197 0.847059
322 7D7 0.423529 0.736842
323 N5A 0.42268 0.730769
324 62F 0.422535 0.853659
325 K2H 0.422018 0.75
326 N6P 0.422018 0.853333
327 Z5A 0.419847 0.793103
328 KB1 0.419643 0.714286
329 FAY 0.41958 0.853659
330 P5F 0.418919 0.816092
331 KH3 0.418803 0.75
332 0T1 0.418605 0.837209
333 COA 0.418605 0.837209
334 PO4 PO4 A A A A PO4 0.418182 0.866667
335 A6D 0.418182 0.697674
336 VRT 0.417476 0.807692
337 6K6 0.416667 0.893333
338 7RP 0.416667 0.864865
339 D5M 0.416667 0.820513
340 RFL 0.416667 0.813953
341 DA 0.416667 0.820513
342 9JJ 0.414966 0.831325
343 NIA 0.414894 0.771084
344 YZS 0.414815 0.742268
345 KGP 0.414815 0.742268
346 3NZ 0.414414 0.797468
347 K2K 0.414414 0.710843
348 FCX 0.413534 0.829545
349 F2N 0.413333 0.786517
350 Q34 0.413223 0.689655
351 LCV 0.413043 0.752577
352 SO5 0.413043 0.752577
353 FAI 0.412371 0.855263
354 AAM 0.412371 0.905405
355 OZP 0.411765 0.743902
356 K2R 0.410714 0.87013
357 7DD 0.41 0.893333
358 APU 0.409836 0.884615
359 30N 0.409091 0.765957
360 COS 0.409091 0.818182
361 AMX 0.409091 0.847059
362 CAO 0.409091 0.808989
363 KYE 0.408696 0.729412
364 KY2 0.407407 0.705882
365 D3Y 0.407407 0.782051
366 KXW 0.40678 0.743902
367 SLU 0.40625 0.764045
368 PLP AAD 0.40625 0.747253
369 CMX 0.406015 0.858824
370 SCO 0.406015 0.858824
371 NA0 0.406015 0.921053
372 3HC 0.405797 0.827586
373 FAJ 0.405229 0.823529
374 V1N 0.405172 0.906667
375 XNP 0.404762 0.819277
376 MCD 0.404412 0.83908
377 S8M 0.40367 0.731707
378 ACO 0.402985 0.808989
379 FAM 0.402985 0.818182
380 NAP 0.401515 0.907895
381 CO6 0.40146 0.818182
382 DAL FAD PER 0.401316 0.76087
383 FA9 0.401316 0.833333
384 DDS 0.4 0.797468
385 RGT 0.4 0.896104
386 KYB 0.4 0.705882
387 HAX 0.4 0.818182
388 2CP 0.4 0.829545
389 YXS 0.4 0.742268
390 26A 0.4 0.75641
391 YXR 0.4 0.742268
392 NX8 0.4 0.710843
Similar Ligands (3D)
Ligand no: 1; Ligand: HIU; Similar ligands found: 652
No: Ligand Similarity coefficient
1 KG7 1.0000
2 3PY 1.0000
3 2KT 1.0000
4 DSN 1.0000
5 03W 0.9968
6 2RA 0.9954
7 DXX 0.9895
8 C2N 0.9890
9 HGY 0.9875
10 DCY 0.9859
11 A3B 0.9854
12 LAC 0.9844
13 SMB 0.9829
14 CYS 0.9813
15 ABA 0.9812
16 DAL 0.9804
17 9X7 0.9796
18 SER 0.9773
19 DBB 0.9755
20 1AC 0.9748
21 ALQ 0.9744
22 39J 0.9739
23 THR 0.9732
24 OXL 0.9723
25 PYR 0.9691
26 ALA 0.9674
27 ITU 0.9659
28 2HA 0.9646
29 MAK 0.9646
30 SAR 0.9643
31 OXM 0.9640
32 GXE 0.9636
33 2OP 0.9634
34 SSN 0.9632
35 FW5 0.9628
36 OXD 0.9626
37 E60 0.9623
38 MEU 0.9612
39 DE2 0.9608
40 IPH 0.9607
41 KIV 0.9607
42 MBN 0.9599
43 MB3 0.9594
44 3AP 0.9584
45 8CL 0.9584
46 2AP 0.9580
47 4AP 0.9574
48 HHN 0.9574
49 BAL 0.9574
50 25T 0.9572
51 VAL 0.9571
52 WOT 0.9571
53 HVK 0.9569
54 CEJ 0.9569
55 NVI 0.9569
56 HBR 0.9567
57 NIS 0.9565
58 NAK 0.9564
59 TTO 0.9564
60 MMZ 0.9562
61 192 0.9560
62 BUO 0.9552
63 3OH 0.9550
64 PYM 0.9541
65 HRZ 0.9541
66 HBS 0.9541
67 LGA 0.9540
68 1DH 0.9533
69 23W 0.9532
70 MLA 0.9529
71 TMZ 0.9523
72 AKB 0.9522
73 BUA 0.9520
74 TAY 0.9520
75 BAQ 0.9519
76 5Y9 0.9518
77 BMD 0.9516
78 4AX 0.9515
79 MZY 0.9514
80 BUB 0.9512
81 ATQ 0.9509
82 PIH 0.9509
83 3GR 0.9507
84 BUQ 0.9503
85 GOL 0.9502
86 JZ6 0.9502
87 24T 0.9501
88 C5J 0.9500
89 GXV 0.9500
90 2IM 0.9500
91 PPF 0.9497
92 MLI 0.9497
93 9PO 0.9497
94 KSW 0.9492
95 3MT 0.9484
96 J1Z 0.9484
97 AMT 0.9480
98 MMU 0.9480
99 PYF 0.9475
100 ALO 0.9473
101 HGW 0.9472
102 HYN 0.9467
103 TMT 0.9466
104 69O 0.9461
105 CYH 0.9458
106 BAE 0.9454
107 PRI 0.9453
108 HBX 0.9451
109 DTL 0.9450
110 SYN 0.9446
111 HSL 0.9446
112 CXL 0.9445
113 MRY 0.9445
114 AOA 0.9444
115 938 0.9439
116 DMG 0.9439
117 MLM 0.9438
118 TF4 0.9438
119 BYZ 0.9437
120 4MZ 0.9436
121 RCO 0.9436
122 7EX 0.9435
123 L89 0.9434
124 5MP 0.9433
125 282 0.9430
126 HAI 0.9430
127 CYT 0.9426
128 4XX 0.9425
129 XIX 0.9422
130 93B 0.9421
131 4HO 0.9420
132 HV2 0.9416
133 DAB 0.9415
134 3TR 0.9414
135 V1L 0.9413
136 URA 0.9412
137 8LG 0.9412
138 5KX 0.9410
139 PYZ 0.9409
140 MCT 0.9407
141 BVG 0.9406
142 A2Q 0.9405
143 DCD 0.9404
144 HQE 0.9404
145 HDA 0.9404
146 1MC 0.9403
147 BVF 0.9401
148 LG4 0.9401
149 280 0.9400
150 PRS 0.9400
151 3CH 0.9396
152 DA1 0.9394
153 ES3 0.9393
154 PY7 0.9391
155 HGQ 0.9391
156 LG3 0.9390
157 CRS 0.9389
158 275 0.9389
159 CAQ 0.9388
160 1MZ 0.9387
161 MR3 0.9384
162 2MZ 0.9384
163 93Q 0.9384
164 URF 0.9383
165 ABN 0.9382
166 FP2 0.9381
167 FPI 0.9381
168 GBL 0.9380
169 265 0.9377
170 BVC 0.9377
171 OXE 0.9373
172 25R 0.9373
173 2AC 0.9373
174 MZ0 0.9373
175 76X 0.9371
176 DTI 0.9370
177 DMI 0.9369
178 PLQ 0.9369
179 NBE 0.9369
180 2AF 0.9368
181 HSE 0.9367
182 ICP 0.9367
183 PYD 0.9367
184 FPN 0.9365
185 BEW 0.9365
186 2CH 0.9364
187 4H2 0.9364
188 92Z 0.9363
189 4CL 0.9363
190 L60 0.9362
191 1AN 0.9361
192 8GF 0.9359
193 LG5 0.9358
194 HTS 0.9358
195 PCR 0.9357
196 LER 0.9356
197 26D 0.9353
198 HVQ 0.9353
199 6SP 0.9352
200 XYD 0.9349
201 AMC 0.9348
202 TDR 0.9346
203 4CH 0.9344
204 4ZE 0.9344
205 A1U 0.9342
206 MWM 0.9341
207 HEW 0.9339
208 2YU 0.9339
209 NK 0.9338
210 PXY 0.9338
211 B3R 0.9337
212 JZ2 0.9337
213 4JJ 0.9337
214 HPY 0.9337
215 CHT 0.9335
216 CIG 0.9331
217 5MH 0.9331
218 2PC 0.9331
219 ASP 0.9330
220 YAN 0.9329
221 9YL 0.9328
222 HOW 0.9328
223 XBZ 0.9328
224 TH0 0.9328
225 NVA 0.9327
226 0R0 0.9325
227 WBU 0.9324
228 M3T 0.9322
229 278 0.9316
230 2MP 0.9315
231 SGL 0.9306
232 LEA 0.9306
233 4JN 0.9306
234 3HR 0.9305
235 27Y 0.9305
236 4HS 0.9302
237 3ZS 0.9298
238 BML 0.9298
239 C21 0.9297
240 6X8 0.9296
241 2AI 0.9295
242 BR9 0.9295
243 BU4 0.9295
244 1MR 0.9292
245 TP5 0.9292
246 PYC 0.9292
247 QOS 0.9291
248 TFB 0.9290
249 XPO 0.9286
250 34A 0.9286
251 285 0.9286
252 HHQ 0.9285
253 SLP 0.9279
254 1CB 0.9278
255 FJO 0.9278
256 ICN 0.9277
257 MWJ 0.9275
258 PUT 0.9274
259 MAE 0.9273
260 4JU 0.9272
261 JZ0 0.9270
262 P2D 0.9269
263 MTG 0.9269
264 ABU 0.9265
265 IHG 0.9262
266 FOA 0.9261
267 HT4 0.9257
268 SMV 0.9257
269 3BB 0.9256
270 PRO 0.9254
271 DTU 0.9253
272 JAB 0.9250
273 ODV 0.9249
274 5JC 0.9249
275 9CL 0.9247
276 43M 0.9244
277 ETF 0.9243
278 BTL 0.9237
279 40O 0.9236
280 2EZ 0.9236
281 DUC 0.9234
282 5UC 0.9234
283 TZC 0.9234
284 IVA 0.9232
285 HCS 0.9230
286 BP9 0.9229
287 SIN 0.9228
288 FUM 0.9228
289 3ZQ 0.9228
290 JBN 0.9227
291 XAP 0.9223
292 AAE 0.9222
293 2MH 0.9220
294 1DU 0.9219
295 IDH 0.9219
296 GOA 0.9216
297 IOL 0.9215
298 4DX 0.9201
299 JZ3 0.9199
300 4HA 0.9192
301 1SP 0.9185
302 OHG 0.9179
303 4JO 0.9178
304 TSZ 0.9175
305 3HL 0.9174
306 IMR 0.9172
307 DTT 0.9171
308 CNH 0.9163
309 APY 0.9160
310 TM7 0.9159
311 EDG 0.9157
312 CP 0.9157
313 GLY 0.9155
314 1AB 0.9153
315 D2P 0.9152
316 F3V 0.9151
317 IPU 0.9150
318 FLA 0.9145
319 IUR 0.9145
320 TAR 0.9145
321 CSS 0.9144
322 9TY 0.9140
323 FAH 0.9139
324 286 0.9136
325 H3M 0.9134
326 BXO 0.9133
327 HY3 0.9133
328 HAE 0.9130
329 PYJ 0.9129
330 TAN 0.9129
331 284 0.9128
332 Y8I 0.9127
333 R1X 0.9127
334 R2B 0.9127
335 BZI 0.9125
336 B24 0.9122
337 RP7 0.9120
338 PYG 0.9119
339 RSF 0.9119
340 FMS 0.9118
341 DPR 0.9114
342 HLT 0.9112
343 61G 0.9111
344 60P 0.9105
345 WTZ 0.9104
346 2HE 0.9103
347 ICC 0.9102
348 BRP 0.9101
349 MPI 0.9100
350 LZ1 0.9100
351 ECE 0.9098
352 AC5 0.9098
353 PAE 0.9097
354 GBD 0.9097
355 QFH 0.9096
356 TLD 0.9095
357 PPI 0.9094
358 BZF 0.9092
359 GAG 0.9089
360 OXQ 0.9088
361 ETM 0.9087
362 IND 0.9086
363 0R1 0.9084
364 MZW 0.9080
365 AGU 0.9077
366 GLV 0.9076
367 HBA 0.9076
368 MSF 0.9073
369 5AC 0.9071
370 GVH 0.9070
371 THE 0.9069
372 POA 0.9069
373 FPY 0.9068
374 DEN 0.9065
375 IOM 0.9063
376 F50 0.9061
377 0CT 0.9059
378 HSM 0.9056
379 3MC 0.9056
380 NEQ 0.9054
381 TB0 0.9054
382 NIE 0.9052
383 R3W 0.9051
384 HVB 0.9050
385 M2H 0.9047
386 23B 0.9042
387 MLT 0.9042
388 HZP 0.9040
389 TZZ 0.9040
390 JZ1 0.9040
391 MTD 0.9036
392 1XX 0.9035
393 PXO 0.9034
394 UY7 0.9030
395 IDM 0.9028
396 ASN 0.9025
397 OAA 0.9022
398 273 0.9016
399 4JP 0.9016
400 MGX 0.9015
401 R8A 0.9015
402 HSW 0.9015
403 ILE 0.9012
404 T2C 0.9010
405 2DR 0.9010
406 3XX 0.9009
407 NCM 0.9007
408 VAH 0.9006
409 NMU 0.9005
410 PCA 0.9003
411 IQ0 0.9002
412 JZ9 0.9001
413 MZG 0.9000
414 BEN 0.8993
415 COM 0.8989
416 AKR 0.8988
417 NHY 0.8987
418 NBZ 0.8987
419 NCA 0.8987
420 UYA 0.8984
421 2A1 0.8982
422 PZA 0.8975
423 NIO 0.8975
424 CRN 0.8975
425 UGC 0.8974
426 ATO 0.8974
427 9A4 0.8972
428 40E 0.8971
429 51F 0.8971
430 6UA 0.8968
431 TM4 0.8968
432 8FH 0.8967
433 TAU 0.8962
434 FLM 0.8961
435 BEZ 0.8960
436 BAM 0.8960
437 YHO 0.8960
438 CRD 0.8959
439 CIZ 0.8956
440 4VP 0.8954
441 3SS 0.8954
442 6PC 0.8953
443 GG6 0.8952
444 2CM 0.8952
445 JZ5 0.8951
446 DYA 0.8950
447 2A3 0.8950
448 NMG 0.8942
449 1PT 0.8942
450 ITN 0.8941
451 LDU 0.8940
452 LMR 0.8939
453 QSC 0.8938
454 VGL 0.8938
455 NTN 0.8935
456 GMN 0.8935
457 BZX 0.8933
458 3CE 0.8932
459 ETX 0.8929
460 AC0 0.8928
461 TFS 0.8928
462 8X3 0.8926
463 FCN 0.8925
464 6MH 0.8924
465 TZE 0.8923
466 3MH 0.8923
467 ALF 0.8922
468 DAS 0.8920
469 RIB 0.8913
470 B20 0.8910
471 DUB 0.8909
472 PE9 0.8909
473 0PY 0.8907
474 P1R 0.8907
475 14J 0.8902
476 COI 0.8902
477 H8N 0.8901
478 3CL 0.8900
479 VX 0.8899
480 BNZ 0.8898
481 CP2 0.8895
482 2C9 0.8895
483 HX2 0.8895
484 EGD 0.8894
485 6AI 0.8894
486 URP 0.8892
487 DCL 0.8891
488 UNU 0.8891
489 PBC 0.8891
490 MBD 0.8889
491 0TR 0.8889
492 5H1 0.8885
493 EFS 0.8885
494 SS2 0.8883
495 5MB 0.8883
496 3SY 0.8883
497 TEO 0.8876
498 2K4 0.8872
499 P7I 0.8872
500 2MY 0.8871
501 M58 0.8868
502 3FA 0.8868
503 FFP 0.8867
504 FQI 0.8864
505 MMQ 0.8864
506 4SV 0.8862
507 YCP 0.8861
508 NXA 0.8859
509 PGA 0.8858
510 9SB 0.8857
511 14O 0.8857
512 F60 0.8857
513 ES9 0.8857
514 MPD 0.8856
515 SS1 0.8855
516 AHR 0.8853
517 5MI 0.8850
518 94N 0.8849
519 VNJ 0.8847
520 S0H 0.8847
521 KYD 0.8846
522 PHZ 0.8846
523 KOJ 0.8845
524 FBA 0.8844
525 BXA 0.8843
526 SAT 0.8839
527 VSO 0.8837
528 H95 0.8834
529 FUB 0.8833
530 C2A 0.8832
531 BNS 0.8831
532 1DQ 0.8829
533 4SD 0.8829
534 SAL 0.8823
535 CMS 0.8816
536 HMH 0.8815
537 11S 0.8814
538 2RH 0.8813
539 BE2 0.8812
540 TCV 0.8810
541 1WD 0.8807
542 98J 0.8806
543 DZZ 0.8804
544 3U4 0.8802
545 3SK 0.8789
546 LEU 0.8789
547 4JM 0.8788
548 IP0 0.8786
549 WDL 0.8785
550 HYP 0.8785
551 FAN 0.8785
552 RUU 0.8784
553 RIP 0.8782
554 7WG 0.8782
555 O7U 0.8778
556 TB6 0.8777
557 4MV 0.8767
558 JKE 0.8767
559 XYP 0.8767
560 EHM 0.8765
561 ADE 0.8765
562 4JL 0.8765
563 HPA 0.8760
564 XBT 0.8760
565 PAF 0.8760
566 7MH 0.8757
567 RSO 0.8757
568 4XR 0.8757
569 MRZ 0.8756
570 ES6 0.8754
571 C2B 0.8752
572 FYU 0.8751
573 F81 0.8750
574 7VD 0.8747
575 XYS 0.8746
576 T6C 0.8745
577 4ZC 0.8744
578 OPE 0.8742
579 23A 0.8737
580 AX2 0.8735
581 1BP 0.8735
582 3Z7 0.8734
583 F05 0.8732
584 7HP 0.8730
585 2CQ 0.8726
586 DFU 0.8725
587 150 0.8723
588 Z6J 0.8721
589 HX3 0.8721
590 TH7 0.8714
591 BDR 0.8714
592 ABE 0.8712
593 PHB 0.8710
594 AZF 0.8708
595 3AY 0.8707
596 6HQ 0.8707
597 13X 0.8695
598 PBE 0.8694
599 TLA 0.8690
600 5AN 0.8687
601 45C 0.8685
602 IFM 0.8684
603 BTE 0.8681
604 PG3 0.8680
605 FP1 0.8680
606 FPK 0.8668
607 7CZ 0.8666
608 KPL 0.8666
609 DSS 0.8663
610 DFB 0.8656
611 H76 0.8655
612 34V 0.8654
613 OEM 0.8653
614 IT2 0.8653
615 NSP 0.8649
616 J3K 0.8642
617 8H8 0.8638
618 AGK 0.8634
619 0MK 0.8634
620 HIO 0.8633
621 JYD 0.8624
622 TMH 0.8622
623 ARA 0.8618
624 ZBT 0.8616
625 TZL 0.8616
626 8EZ 0.8609
627 ICF 0.8607
628 XRG 0.8606
629 XLS 0.8605
630 MED 0.8605
631 BR8 0.8604
632 MET 0.8600
633 ZZT 0.8599
634 3AB 0.8594
635 53C 0.8592
636 PAV 0.8588
637 6M4 0.8587
638 OXZ 0.8584
639 64K 0.8582
640 HMU 0.8579
641 SEJ 0.8577
642 HY1 0.8575
643 3HB 0.8575
644 261 0.8574
645 32O 0.8572
646 FUF 0.8571
647 RBL 0.8556
648 BHO 0.8553
649 TBP 0.8546
650 OVV 0.8539
651 717 0.8523
652 2HP 0.8521
Ligand no: 2; Ligand: 8LH; Similar ligands found: 3
No: Ligand Similarity coefficient
1 GDP 0.8914
2 GDP MG 0.8767
3 UDP 0.8718
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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