-->
Receptor
PDB id Resolution Class Description Source Keywords
5MFP 1.98 Å EC: 3.5.1.- HUMAN SIRT6 IN COMPLEX WITH ACTIVATOR UBCS58 HOMO SAPIENS 4-(PYRIDIN-3-YL)PYRROLO[1 2-A]QUINOXALINE DRUG HYDROLASE
Ref.: STRUCTURAL BASIS OF SIRTUIN 6 ACTIVATION BY SYNTHET MOLECULES. ANGEW. CHEM. INT. ED. ENGL. V. 56 1007 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 B:406;
A:403;
B:403;
A:406;
A:407;
A:405;
A:404;
B:404;
B:405;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
ZN A:402;
B:402;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
EDO B:408;
A:409;
B:409;
A:408;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
AR6 B:401;
A:401;
Valid;
Valid;
none;
none;
submit data
559.316 C15 H23 N5 O14 P2 c1nc(...
7M5 A:411;
B:410;
Valid;
Valid;
none;
none;
submit data
245.279 C16 H11 N3 c1ccc...
PGE B:407;
Invalid;
none;
submit data
150.173 C6 H14 O4 C(COC...
PG4 A:410;
Invalid;
none;
submit data
194.226 C8 H18 O5 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6HOY 1.7 Å EC: 3.5.1.- HUMAN SIRT6 IN COMPLEX WITH ADP-RIBOSE AND THE INHIBITOR TRI A HOMO SAPIENS DEACYLASE INHIBITOR HYDROXAMATE NON-COMPETITIVE ISOFORM-SELECTIVE HYDROLASE
Ref.: STRUCTURAL BASIS OF SIRTUIN 6 INHIBITION BY THE HYD TRICHOSTATIN A - IMPLICATIONS FOR PROTEIN DEACYLASE DEVELOPMENT. J. MED. CHEM. 2018
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 31 families.
1 5MFZ - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
2 5MFP - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
3 5MF6 Kd = 38 uM 7M2 C16 H13 N3 c1ccc-2c(c....
4 5MGN - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
5 6HOY Kd = 33 uM TSN C17 H22 N2 O3 C[C@H](C=C....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 28 families.
1 5MFZ - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
2 5MFP - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
3 5MF6 Kd = 38 uM 7M2 C16 H13 N3 c1ccc-2c(c....
4 5MGN - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
5 6HOY Kd = 33 uM TSN C17 H22 N2 O3 C[C@H](C=C....
50% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 18 families.
1 5MFZ - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
2 5MFP - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
3 5MF6 Kd = 38 uM 7M2 C16 H13 N3 c1ccc-2c(c....
4 5MGN - AR6 C15 H23 N5 O14 P2 c1nc(c2c(n....
5 6HOY Kd = 33 uM TSN C17 H22 N2 O3 C[C@H](C=C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AR6; Similar ligands found: 398
No: Ligand ECFP6 Tc MDL keys Tc
1 APR 1 1
2 AR6 1 1
3 A2D 0.898551 0.971831
4 BA3 0.847222 0.971831
5 B4P 0.835616 0.971831
6 AP5 0.835616 0.971831
7 M33 0.813333 0.958333
8 ADP 0.810811 0.971831
9 ADV 0.805195 0.958904
10 RBY 0.805195 0.958904
11 HEJ 0.802632 0.971831
12 ATP 0.802632 0.971831
13 AT4 0.8 0.932432
14 AN2 0.8 0.958333
15 5FA 0.792208 0.971831
16 AQP 0.792208 0.971831
17 AD9 0.782051 0.945205
18 AGS 0.782051 0.92
19 SAP 0.782051 0.92
20 ACP 0.779221 0.945205
21 A 0.753425 0.943662
22 AMP 0.753425 0.943662
23 3OD 0.747126 0.972222
24 PRX 0.746835 0.893333
25 9X8 0.744186 0.945946
26 OAD 0.744186 0.972222
27 CA0 0.74359 0.972222
28 ADX 0.74359 0.873418
29 ACQ 0.740741 0.945205
30 ANP 0.740741 0.945205
31 A22 0.738095 0.958333
32 50T 0.734177 0.931507
33 A2R 0.72619 0.985915
34 ABM 0.723684 0.917808
35 ATF 0.722892 0.932432
36 A1R 0.72093 0.907895
37 ADQ 0.72093 0.972222
38 A3R 0.72093 0.907895
39 6YZ 0.714286 0.945205
40 A12 0.705128 0.932432
41 AP2 0.705128 0.932432
42 SRA 0.697368 0.893333
43 5AL 0.690476 0.958333
44 APC 0.682927 0.932432
45 AU1 0.679012 0.945205
46 TAT 0.678571 0.932432
47 T99 0.678571 0.932432
48 SRP 0.674419 0.932432
49 BIS 0.67033 0.907895
50 25L 0.663043 0.958333
51 4AD 0.662921 0.945946
52 DLL 0.655556 0.958333
53 00A 0.655556 0.907895
54 ADP PO3 0.654762 0.943662
55 8QN 0.651685 0.958333
56 5SV 0.651685 0.848101
57 OOB 0.651685 0.958333
58 25A 0.651685 0.944444
59 DQV 0.649485 0.958333
60 PAJ 0.644444 0.909091
61 AMO 0.644444 0.958904
62 MAP 0.640449 0.92
63 OMR 0.64 0.875
64 AFH 0.639175 0.909091
65 AHX 0.637363 0.896104
66 FYA 0.634409 0.905405
67 3UK 0.630435 0.945205
68 NAX 0.63 0.873418
69 G3A 0.628866 0.896104
70 SON 0.626506 0.932432
71 ALF ADP 0.625 0.87013
72 ADP ALF 0.625 0.87013
73 B5V 0.623656 0.932432
74 PR8 0.623656 0.873418
75 WAQ 0.623656 0.907895
76 LAD 0.623656 0.884615
77 G5P 0.622449 0.896104
78 GAP 0.62069 0.918919
79 LMS 0.620253 0.82716
80 48N 0.62 0.921053
81 ADP VO4 0.617977 0.931507
82 VO4 ADP 0.617977 0.931507
83 AP0 0.617647 0.896104
84 ME8 0.617021 0.8625
85 TXA 0.617021 0.958904
86 PTJ 0.617021 0.896104
87 1ZZ 0.617021 0.8625
88 NB8 0.617021 0.921053
89 GTA 0.616162 0.8625
90 FA5 0.614583 0.932432
91 TXD 0.613861 0.907895
92 NAI 0.613861 0.907895
93 6V0 0.613861 0.896104
94 DND 0.613861 0.958904
95 NXX 0.613861 0.958904
96 TXE 0.607843 0.907895
97 DAL AMP 0.604396 0.931507
98 9SN 0.604167 0.896104
99 UP5 0.598039 0.92
100 YAP 0.597938 0.92
101 B5Y 0.597938 0.92
102 B5M 0.597938 0.92
103 9ZD 0.597826 0.907895
104 9ZA 0.597826 0.907895
105 XAH 0.591837 0.839506
106 RAB 0.589041 0.84507
107 ADN 0.589041 0.84507
108 XYA 0.589041 0.84507
109 2A5 0.586207 0.893333
110 4UV 0.585859 0.92
111 AOC 0.585366 0.821918
112 ADJ 0.584906 0.875
113 7D4 0.581395 0.88
114 ITT 0.581395 0.916667
115 A4P 0.580952 0.821429
116 ATR 0.579545 0.943662
117 PAP 0.579545 0.957747
118 CNA 0.579439 0.932432
119 ADP BMA 0.578947 0.945205
120 5AS 0.576471 0.77907
121 4UU 0.574257 0.92
122 GA7 0.574257 0.906667
123 F2R 0.574074 0.864198
124 5N5 0.573333 0.819444
125 7D3 0.571429 0.88
126 4TC 0.571429 0.896104
127 139 0.570093 0.873418
128 T5A 0.570093 0.841463
129 COD 0.568807 0.811765
130 JB6 0.56701 0.883117
131 A4D 0.565789 0.819444
132 5CD 0.565789 0.805556
133 EP4 0.564103 0.753247
134 LAQ 0.563107 0.8625
135 NA7 0.5625 0.932432
136 TYM 0.561905 0.932432
137 80F 0.558559 0.864198
138 YLP 0.557692 0.841463
139 A A 0.556701 0.917808
140 G5A 0.555556 0.77907
141 HFD 0.555556 0.92
142 4UW 0.552381 0.884615
143 ATP A A A 0.55 0.930556
144 AVV 0.547368 0.896104
145 A3P 0.546512 0.943662
146 MYR AMP 0.545455 0.839506
147 7D5 0.54321 0.853333
148 G1R 0.542553 0.907895
149 YLC 0.542056 0.8625
150 UPA 0.542056 0.907895
151 YLB 0.542056 0.841463
152 NAD 0.540541 0.931507
153 TYR AMP 0.539216 0.894737
154 AMP DBH 0.539216 0.918919
155 TAD 0.538462 0.884615
156 DTA 0.5375 0.786667
157 M2T 0.5375 0.734177
158 3DH 0.536585 0.773333
159 AYB 0.536364 0.831325
160 EAD 0.533898 0.873418
161 AHZ 0.533333 0.839506
162 FB0 0.532787 0.784091
163 IOT 0.53211 0.831325
164 A3D 0.530973 0.918919
165 MTA 0.530864 0.773333
166 3AM 0.53012 0.902778
167 ARG AMP 0.528846 0.829268
168 AR6 AR6 0.528846 0.944444
169 A2P 0.528736 0.929577
170 YLA 0.527273 0.841463
171 6AD 0.526882 0.884615
172 PPS 0.526882 0.85
173 BTX 0.526786 0.819277
174 NAE 0.525862 0.894737
175 BT5 0.522124 0.831325
176 A5A 0.521277 0.807229
177 TSB 0.520833 0.819277
178 6RE 0.517647 0.7375
179 P1H 0.516393 0.851852
180 3AT 0.516129 0.944444
181 SSA 0.515789 0.8
182 7MD 0.514286 0.886076
183 54H 0.510417 0.788235
184 52H 0.510417 0.77907
185 VMS 0.510417 0.788235
186 NSS 0.510204 0.8
187 NAQ 0.508475 0.871795
188 ZAS 0.505882 0.766234
189 IMO 0.505747 0.902778
190 J7C 0.505747 0.746835
191 A3N 0.505747 0.786667
192 AV2 0.505263 0.891892
193 R5I 0.505263 0.918919
194 R7I 0.505263 0.918919
195 53H 0.505155 0.77907
196 5CA 0.505155 0.8
197 8X1 0.505155 0.752809
198 ARU 0.50505 0.8375
199 NVA LMS 0.50505 0.752809
200 9K8 0.504951 0.733333
201 AF3 ADP 3PG 0.504587 0.860759
202 YLY 0.504274 0.831325
203 ZID 0.504202 0.918919
204 S4M 0.5 0.666667
205 V3L 0.5 0.971831
206 FDA 0.5 0.811765
207 LEU LMS 0.5 0.752809
208 DTP 0.5 0.88
209 LPA AMP 0.5 0.839506
210 2AM 0.5 0.916667
211 FNK 0.496183 0.784091
212 6FA 0.496063 0.841463
213 DZD 0.495652 0.884615
214 P5A 0.49505 0.744444
215 DSZ 0.494949 0.821429
216 LSS 0.494949 0.761364
217 MAO 0.494382 0.759036
218 DSH 0.494253 0.725
219 M24 0.491525 0.873418
220 NJP 0.491228 0.92
221 5X8 0.48913 0.786667
222 DAT 0.48913 0.88
223 SFD 0.488372 0.734043
224 FAS 0.488372 0.851852
225 FAD 0.488372 0.851852
226 NAJ PZO 0.487179 0.848101
227 0WD 0.486957 0.896104
228 NPW 0.486726 0.8625
229 7MC 0.486486 0.864198
230 7DT 0.483871 0.957747
231 7DD 0.483516 0.957747
232 GJV 0.483146 0.728395
233 OVE 0.482759 0.88
234 5AD 0.480519 0.746479
235 GSU 0.480392 0.8
236 KAA 0.480392 0.752809
237 NDE 0.48 0.906667
238 N0B 0.479339 0.841463
239 A5D 0.478723 0.786667
240 ODP 0.478261 0.884615
241 RGT 0.47619 0.958904
242 XNP 0.474138 0.85
243 4TA 0.474138 0.807229
244 AMP NAD 0.474138 0.931507
245 62F 0.473684 0.8625
246 NDP 0.473684 0.896104
247 SFG 0.473118 0.773333
248 NDC 0.472441 0.871795
249 YSA 0.471698 0.77907
250 NAJ PYZ 0.471074 0.807229
251 ENP 0.470588 0.918919
252 FAY 0.470149 0.8625
253 TXP 0.469565 0.896104
254 NZQ 0.469565 0.884615
255 DDS 0.46875 0.853333
256 A7D 0.467391 0.776316
257 RFL 0.466667 0.821429
258 ENQ 0.466019 0.943662
259 AAT 0.463918 0.707317
260 SA8 0.463158 0.728395
261 7C5 0.462963 0.818182
262 MHZ 0.462366 0.697674
263 8PZ 0.462264 0.8
264 71V 0.461538 0.883117
265 G A A A 0.461538 0.848101
266 F2N 0.460993 0.793103
267 NEC 0.460674 0.746667
268 A3G 0.460674 0.8
269 GGZ 0.46 0.825
270 6C6 0.458333 0.857143
271 SAH 0.458333 0.766234
272 SAI 0.458333 0.75641
273 P5F 0.457143 0.823529
274 Y3J 0.45679 0.726027
275 A A A 0.456311 0.905405
276 PO4 PO4 A A A A PO4 0.456311 0.902778
277 7D7 0.455696 0.743243
278 SMM 0.454545 0.705882
279 V1N 0.453704 0.944444
280 6IA 0.453608 0.814815
281 SAM 0.453608 0.710843
282 WSA 0.451327 0.788235
283 U A 0.45 0.883117
284 A G 0.449153 0.858974
285 EEM 0.44898 0.710843
286 PGS 0.446809 0.858974
287 ETB 0.446281 0.811765
288 DCA 0.446281 0.802326
289 U A G G 0.445378 0.858974
290 2SA 0.444444 0.932432
291 D5M 0.444444 0.853333
292 DA 0.444444 0.853333
293 GP3 0.443299 0.896104
294 9JJ 0.442857 0.8625
295 128 0.442478 0.776471
296 4YB 0.441441 0.781609
297 GEK 0.441176 0.759494
298 Z5A 0.44 0.77907
299 30N 0.44 0.734043
300 S7M 0.44 0.710843
301 AAM 0.43956 0.943662
302 0T1 0.439024 0.802326
303 COA 0.439024 0.802326
304 12D 0.4375 0.785714
305 FA9 0.4375 0.841463
306 C2R 0.436782 0.90411
307 AMZ 0.436782 0.890411
308 A3S 0.43617 0.810811
309 N6P 0.432692 0.888889
310 PUA 0.430894 0.860759
311 COS 0.428571 0.784091
312 TAP 0.428571 0.883117
313 AMX 0.428571 0.811765
314 1DG 0.428571 0.896104
315 CAO 0.428571 0.775281
316 AIR 0.428571 0.875
317 A6D 0.428571 0.722892
318 DG1 0.428571 0.896104
319 6K6 0.427184 0.90411
320 A3T 0.427083 0.821918
321 NIA 0.426966 0.8
322 649 0.426087 0.744444
323 GTP 0.425743 0.894737
324 SCO 0.425197 0.823529
325 CMX 0.425197 0.823529
326 G2R 0.424528 0.860759
327 GDP 0.424242 0.894737
328 7RA 0.423913 0.930556
329 OXK 0.423077 0.804598
330 0UM 0.423077 0.719512
331 8Q2 0.422414 0.772727
332 FCX 0.421875 0.795455
333 FAM 0.421875 0.784091
334 ACO 0.421875 0.775281
335 GCP 0.421569 0.871795
336 NAP 0.420635 0.918919
337 SXZ 0.420561 0.731707
338 GNH 0.42 0.883117
339 62X 0.419048 0.686047
340 A U 0.418803 0.87013
341 APU 0.418803 0.87013
342 HAX 0.418605 0.784091
343 NVA 2AD 0.418367 0.759494
344 GDC 0.418182 0.884615
345 GKE 0.418182 0.884615
346 GDD 0.418182 0.884615
347 101 0.417582 0.853333
348 GSP 0.417476 0.85
349 3AD 0.416667 0.805556
350 2MC 0.416667 0.75
351 HDV 0.415842 0.868421
352 FYN 0.415385 0.802326
353 3KK 0.415385 0.784091
354 G2Q 0.415094 0.860759
355 K15 0.415094 0.702381
356 NA0 0.414062 0.906667
357 7L1 0.414062 0.775281
358 IVC 0.413534 0.793103
359 S8M 0.413462 0.759494
360 NHD 0.413223 0.905405
361 7RP 0.413043 0.901408
362 MCD 0.412214 0.804598
363 SOP 0.412214 0.784091
364 CA6 0.412214 0.71134
365 COK 0.412214 0.784091
366 1VU 0.409091 0.775281
367 CO6 0.409091 0.784091
368 NMX 0.409091 0.741935
369 CMC 0.409091 0.804598
370 AS 0.408602 0.810127
371 QQY 0.406593 0.815789
372 ACK 0.406593 0.861111
373 6YU 0.40625 0.734043
374 CAJ 0.406015 0.804598
375 SCD 0.406015 0.823529
376 EO7 0.404255 0.788235
377 8BR 0.404255 0.881579
378 GNP 0.403846 0.871795
379 9GM 0.403846 0.871795
380 APX 0.40367 0.907895
381 KB1 0.40367 0.719512
382 TM1 0.40367 0.77381
383 SLU 0.403226 0.770115
384 BCO 0.402985 0.784091
385 MLC 0.402985 0.804598
386 3HC 0.402985 0.793103
387 1HE 0.402985 0.766667
388 A1S 0.402985 0.784091
389 1CZ 0.402878 0.795455
390 CC5 0.402439 0.816901
391 NMN AMP PO4 0.401639 0.87013
392 FAQ 0.40146 0.784091
393 COO 0.4 0.784091
394 YE1 0.4 0.793103
395 MCA 0.4 0.795455
396 CAA 0.4 0.793103
397 2BA 0.4 0.915493
398 CMP 0.4 0.901408
Ligand no: 2; Ligand: 7M5; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 7M5 1 1
2 7M9 0.430556 0.769231
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6HOY; Ligand: AR6; Similar sites found with APoc: 169
This union binding pocket(no: 1) in the query (biounit: 6hoy.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 4CQK PIO None
3 1DCP HBI None
4 4UP5 94W None
5 4LYA ATP 1.3245
6 4L2I FAD 1.65563
7 3G5N PB2 1.65563
8 2O07 MTA 1.65563
9 1PNO NAP 1.66667
10 2EFJ SAH 1.98676
11 1V6A TRE 1.98676
12 5OES ADP 1.98676
13 4DMG SAM 1.98676
14 2HNK SAH 2.09205
15 2IZ1 ATR 2.31788
16 5K8P 6R8 2.31788
17 4XWT U5P 2.31788
18 5EEH SAH 2.31788
19 1UDH URA 2.45902
20 5IQZ MAL 2.48307
21 2BQP GLC 2.5641
22 3FXU TSU 2.64901
23 5H6S HDH 2.64901
24 2HIM ASP 2.64901
25 3N75 G4P 2.64901
26 4KRG SAH 2.64901
27 5ZI9 FLC 2.69231
28 2P3V SRT 2.73438
29 3BP1 GUN 2.75862
30 3B8I OXL 2.78746
31 3IR1 MET 2.85714
32 4G6I RS3 2.85714
33 3BXO SAM 2.92887
34 4Y9D NAI 2.95082
35 4KGD FAD 2.98013
36 4KGD TDP 2.98013
37 1XDS SAM 2.98013
38 1PJS NAD 2.98013
39 5ZIC BMA Z4Y NAG 2.98013
40 2JK0 ASP 2.98013
41 3B9Q MLI 2.98013
42 1P1C SAH 3.01508
43 1G8S MET 3.04348
44 1HTW ADP 3.16456
45 1P77 ATR 3.30882
46 4D5G FAD 3.31126
47 4D5G TPP 3.31126
48 5TE1 7A2 3.31126
49 2UYQ SAM 3.31126
50 1RJD SAM 3.31126
51 6C8R SAH 3.31126
52 1J71 THR ILE THR SER 3.31126
53 2AOT SAH 3.31126
54 4KIB SAH 3.31126
55 1ON3 MCA 3.31126
56 3RKR NAP 3.43511
57 3KCC CMP 3.46154
58 2PAR TMP 3.48259
59 2HK9 ATR 3.63636
60 2C31 TZD 3.64238
61 2C31 ADP 3.64238
62 1QZZ SAM 3.64238
63 4CS9 AMP 3.7037
64 1ODJ GMP 3.82979
65 1FHX 4IP 3.87597
66 5AZA MAL 3.97351
67 2GC0 PAN 3.97351
68 2UVO NAG 4.09357
69 2HYQ MAN MAN 4.09836
70 2GUD MAN 4.09836
71 2HYR BGC GLC 4.09836
72 2GUC MAN 4.09836
73 2NU5 NAG 4.09836
74 2GUD BMA 4.09836
75 4KAX 4IP 4.14201
76 2DC1 CIT 4.23729
77 4FGC PQ0 4.24242
78 1V5F FAD 4.30464
79 1V5F TPP 4.30464
80 2V3V MGD 4.30464
81 5YKT PMP 4.30464
82 5T8U LPA 4.30464
83 5EQ8 HSO 4.33213
84 1UAY ADN 4.54545
85 3GU3 SAH 4.57746
86 6GR0 F8W 4.5977
87 1YBH FAD 4.63576
88 4YDD MGD 4.63576
89 4YDD MD1 4.63576
90 5XH2 NPO 4.96183
91 1V59 NAD 4.96689
92 2ZWS PLM 4.96689
93 3O7W SAM 5.10204
94 6FTB M0E 5.2381
95 2EG5 SAH 5.29801
96 2R09 4IP 5.29801
97 2Z48 NGA 5.62914
98 4V36 LYN 5.62914
99 1NM5 NAP 5.62914
100 1NM5 NAD 5.62914
101 2OOR NAD 5.62914
102 2OOR TXP 5.62914
103 2VDV SAM 5.69106
104 2WQ4 SFU 5.76923
105 1TKU 5RP 5.88235
106 3DXY SAM 5.96026
107 3L9W AMP 5.96026
108 5HJM MTA 5.96026
109 3TKY SAH 5.97826
110 4X7Y SAH 6.20438
111 1DJL NAP 6.28019
112 1T9D PYD 6.29139
113 1T9D 1MM 6.29139
114 1T9D P25 6.29139
115 1T9D FAD 6.29139
116 5WKC FAD 6.29139
117 5XNC MTA 6.29139
118 5X62 SAH 6.29139
119 6C4A PYR 6.33484
120 1LSS NAD 6.42857
121 2WA2 SAM 6.52174
122 3EYA FAD 6.62252
123 3GWZ SAH 6.62252
124 3GXO SAH 6.62252
125 1EFV FAD 6.66667
126 1EFV AMP 6.66667
127 1O9W NAG 6.77966
128 5E9G GLV 6.95364
129 5YLF BGC 6.95364
130 4G9N NGA 6.99301
131 1D4O NAP 7.06522
132 4DVE BTN 7.07071
133 5AK8 ALA ARG 7.28477
134 2JFV FLC 7.56014
135 6DEN TP9 7.61589
136 6DEN FAD 7.61589
137 6DEN G8A 7.61589
138 4TQK NAG 7.61589
139 4K79 GAL A2G 8.18182
140 2Q28 ADP 8.27815
141 4JZX IPE 8.27815
142 4DE3 DN8 8.36502
143 4DXJ IPE 8.60927
144 5O0J GLC 8.60927
145 1FUR MLT 8.60927
146 2VT3 ATP 8.83721
147 1O97 FAD 9.09091
148 1O97 AMP 9.09091
149 3GCM 5GP 9.7561
150 3F81 STT 10.3825
151 1SQL GUN 10.9589
152 3VSE SAH 11.2583
153 1KZL CRM 11.5385
154 3T7S SAM 11.5672
155 3EGI ADP 11.6505
156 4LZB URA 11.7647
157 1ZQ9 SAM 12.2517
158 1UNQ 4IP 12.8
159 5FA5 MTA 12.9139
160 5DNK SAH 12.9139
161 4K7O EKZ 13.0952
162 2WR9 MAN MAN 14.0625
163 4ISS TAR 14.2384
164 6MJ7 ARG 14.5455
165 2D3N GLC GLC GLC 19.8675
166 5A3B APR 21.5232
167 4RJD TFP 24.2424
168 3U31 NAD 34.8276
169 1M2K APR 48.1928
Pocket No.: 2; Query (leader) PDB : 6HOY; Ligand: TSN; Similar sites found with APoc: 202
This union binding pocket(no: 2) in the query (biounit: 6hoy.bio1) has 39 residues
No: Leader PDB Ligand Sequence Similarity
1 5KK4 44E None
2 4CQK PIO None
3 1DCP HBI None
4 5YRL GLC GLC None
5 1O5Q PYR 0.993378
6 5WHU SIA GAL GLC 1.34228
7 5JE0 SAH 1.61943
8 5JE0 AZ8 1.61943
9 3G5N PB2 1.65563
10 4L2I FAD 1.65563
11 1TZJ A3B 1.65563
12 2O07 MTA 1.65563
13 1PNO NAP 1.66667
14 4XJC TTP 1.69492
15 3JQM GTP 1.91083
16 2EFJ SAH 1.98676
17 1V6A TRE 1.98676
18 5OES ADP 1.98676
19 1IGW PYR 1.98676
20 4DMG SAM 1.98676
21 2O1C PPV 2
22 2HNK SAH 2.09205
23 3I9U DTU 2.28137
24 1QFT HSM 2.28571
25 2IZ1 ATR 2.31788
26 1GZ6 NAI 2.31788
27 3W54 RNB 2.31788
28 5EEH SAH 2.31788
29 1NV8 MEQ 2.46479
30 2BQP GLC 2.5641
31 4PTN PYR 2.64901
32 3FXU TSU 2.64901
33 2HIM ASN 2.64901
34 3QTP 2PG 2.64901
35 5H6S HDH 2.64901
36 4KRG SAH 2.64901
37 3K8D KDO 2.65152
38 4M1U A2G MBG 2.6936
39 5KZD RCJ 2.73038
40 2P3V SRT 2.73438
41 3BP1 GUN 2.75862
42 3B8I OXL 2.78746
43 4G6I RS3 2.85714
44 5WSY 7UC 2.89017
45 3BXO SAM 2.92887
46 4Y9D NAI 2.95082
47 3B9Q MLI 2.98013
48 2OG2 MLI 2.98013
49 4KGD FAD 2.98013
50 1XDS SAM 2.98013
51 1PJS NAD 2.98013
52 4KGD TDP 2.98013
53 1P1C SAH 3.01508
54 3DUV KDO 3.05344
55 1HTW ADP 3.16456
56 3QPB R1P 3.19149
57 1P77 ATR 3.30882
58 4D5G FAD 3.31126
59 4D5G TPP 3.31126
60 5TE1 7A2 3.31126
61 2UYQ SAM 3.31126
62 3HQ9 OXL 3.31126
63 1RJD SAM 3.31126
64 6C8R SAH 3.31126
65 1J71 THR ILE THR SER 3.31126
66 5F2K SAH 3.31126
67 5F2K OCA 3.31126
68 2AOT SAH 3.31126
69 1ON3 MCA 3.31126
70 4KIB SAH 3.31126
71 3RKR NAP 3.43511
72 3KCC CMP 3.46154
73 2PAR TMP 3.48259
74 4XBA GMP 3.5
75 4XBA 5GP 3.5
76 1ZGS XMM 3.57942
77 2D2F ADP 3.6
78 2HK9 ATR 3.63636
79 2C31 TZD 3.64238
80 2C31 ADP 3.64238
81 1QZZ SAM 3.64238
82 3QO8 SSA 3.64238
83 2GKS ADP 3.64238
84 1VRP ADP 3.64238
85 4CS9 AMP 3.7037
86 1ODJ GMP 3.82979
87 1FHX 4IP 3.87597
88 2HYQ MAN MAN 4.09836
89 2GUD MAN 4.09836
90 2HYR BGC GLC 4.09836
91 2GUC MAN 4.09836
92 2NU5 NAG 4.09836
93 2GUD BMA 4.09836
94 5ZTN CUR 4.1958
95 4FGC PQ0 4.24242
96 1V5F TPP 4.30464
97 1V5F FAD 4.30464
98 3GFZ FMN 4.30464
99 2V3V MGD 4.30464
100 5ZQY AR6 4.30464
101 5T8U LPA 4.30464
102 5EQ8 HSO 4.33213
103 1UAY ADN 4.54545
104 3GU3 SAH 4.57746
105 2DPM SAM 4.57746
106 6GR0 F8W 4.5977
107 2D4N DUP 4.60526
108 5LQ8 GB 4.60993
109 1YBH FAD 4.63576
110 4YDD MD1 4.63576
111 4YDD MGD 4.63576
112 6EGU 43Y 4.63576
113 2BES RES 4.65116
114 4DXD 9PC 4.79798
115 1V59 NAD 4.96689
116 4BG4 ARG 4.96689
117 2ZWS PLM 4.96689
118 1LOF MAN BMA NAG NAG MAN NAG GAL GAL 4.97238
119 3O7W SAM 5.10204
120 6FTB M0E 5.2381
121 2EG5 SAH 5.29801
122 4XFR CIT 5.29801
123 2R09 4IP 5.29801
124 3ZQE DXC 5.29801
125 5KZV HCD 5.29801
126 2FR6 CTN 5.47945
127 1H8P PC 5.50459
128 2OOR TXP 5.62914
129 2Z48 NGA 5.62914
130 2OOR NAD 5.62914
131 2VDV SAM 5.69106
132 2WQ4 SFU 5.76923
133 1H5R THM 5.80205
134 1TKU 5RP 5.88235
135 3DXY SAM 5.96026
136 3L9W AMP 5.96026
137 5HJM MTA 5.96026
138 1B8U NAD 5.96026
139 3TKY SAH 5.97826
140 1DJL NAP 6.28019
141 1T9D 1MM 6.29139
142 1T9D PYD 6.29139
143 1T9D P25 6.29139
144 1T9D FAD 6.29139
145 5WKC FAD 6.29139
146 5XNC MTA 6.29139
147 5X62 SAH 6.29139
148 5KOD IAC 6.29139
149 3THR C2F 6.29139
150 6C4A PYR 6.33484
151 2WA2 SAM 6.52174
152 3GWZ SAH 6.62252
153 3EYA FAD 6.62252
154 3GXO SAH 6.62252
155 1EFV FAD 6.66667
156 1EFV AMP 6.66667
157 5YLF BGC 6.95364
158 5E9G GLV 6.95364
159 4G9N NGA 6.99301
160 1D4O NAP 7.06522
161 4DVE BTN 7.07071
162 2YIP YIO 7.24638
163 3N8K D1X 7.55814
164 2JFV FLC 7.56014
165 6DEN TP9 7.61589
166 6DEN G8A 7.61589
167 6DEN FAD 7.61589
168 4KOA NDP 7.61589
169 2Q28 ADP 8.27815
170 4DE3 DN8 8.36502
171 3G2Y GF4 8.36502
172 5TSH ADP 8.60927
173 1WRA PC 8.60927
174 4DXJ 0M9 8.60927
175 4DXJ IPE 8.60927
176 1FUR MLT 8.60927
177 4WS6 WBU 8.82353
178 2VT3 ATP 8.83721
179 1O97 AMP 9.09091
180 1O97 FAD 9.09091
181 3K7S R52 9.49721
182 1N13 AG2 9.73451
183 2QQC AG2 9.82143
184 2NV2 GLN 9.86395
185 3F81 STT 10.3825
186 1SQL GUN 10.9589
187 3VSE SAH 11.2583
188 1KZL CRM 11.5385
189 3T7S SAM 11.5672
190 3EGI ADP 11.6505
191 4LZB URA 11.7647
192 1ZQ9 SAM 12.2517
193 1UNQ 4IP 12.8
194 5FA5 MTA 12.9139
195 5DNK SAH 12.9139
196 4ISS TAR 14.2384
197 4M44 SIA GAL NAG GAL 15.3846
198 5U97 PIT 16.5563
199 2BOS GLA GAL GLC NBU 20.5882
200 5A3B APR 21.5232
201 3U31 NAD 34.8276
202 1M2K APR 48.1928
Pocket No.: 3; Query (leader) PDB : 6HOY; Ligand: TSN; Similar sites found with APoc: 50
This union binding pocket(no: 3) in the query (biounit: 6hoy.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
1 5MT9 SRO None
2 2BHZ MAL 1.3245
3 4LYA ATP 1.3245
4 4JOB TLA 1.65563
5 5UZ8 GSH 1.65563
6 3TVQ DQH 1.77515
7 3LDW IPE 1.98676
8 3MAG SAH 1.98676
9 3UWB BB2 2.5974
10 3SJK LYS PRO VAL LEU ARG THR ALA 2.63158
11 3I53 SAH 2.64901
12 5ZI9 FLC 2.69231
13 2HJR CIT 2.98013
14 3EF0 ALF 2.98013
15 5AO7 AH0 NAG 2.98013
16 4C1K PEP 3.05344
17 4EIL FOL 3.31126
18 3DEF GDP 3.43511
19 4WOH 4NP 3.61446
20 3W6X HZP 3.93013
21 1VBH PEP 3.97351
22 2UVO NAG 4.09357
23 2NUO BGC 4.09836
24 4KAX 4IP 4.14201
25 1L3I SAH 4.16667
26 2DC1 CIT 4.23729
27 1CT9 GLN 4.63576
28 5EPO TUD 4.96183
29 1GXS BEZ 5.06329
30 5X7Q GLC GLC GLC 5.29801
31 5X7Q GLC GLC GLC GLC 5.29801
32 2R0D 4IP 5.29801
33 1NM5 NAP 5.62914
34 1NM5 NAD 5.62914
35 4JBL MET 5.62914
36 3UYW TAU 6.07477
37 5EXK 5AD 6.62252
38 1O9W NAG 6.77966
39 2D5X L35 7.0922
40 3VSV XYS 7.28477
41 1ZPR CB3 7.57576
42 1PDZ PGA 8.27815
43 4JZB IPE 8.27815
44 4JZX IPE 8.27815
45 3GCM 5GP 9.7561
46 1EJ0 SAM 10
47 4YGM URA 12.069
48 1MAI I3P 12.2137
49 3HGM ATP 18.3673
50 2BOS GLA GAL GLC 20.5882
Pocket No.: 4; Query (leader) PDB : 6HOY; Ligand: AR6; Similar sites found with APoc: 31
This union binding pocket(no: 4) in the query (biounit: 6hoy.bio2) has 32 residues
No: Leader PDB Ligand Sequence Similarity
1 6FX2 FUC C4W NAG BMA MAN NAG GAL None
2 3KIF GDL None
3 1O5Q PYR 0.993378
4 2YJP CYS 1.37457
5 4JOB TLA 1.65563
6 5UZ8 GSH 1.65563
7 3AJ4 SEP 1.78571
8 2VVG ADP 1.98676
9 3I53 SAH 2.64901
10 6BYF CIT 2.94118
11 6CZ7 MGD 2.99145
12 4C1K PEP 3.05344
13 1DMR PGD 3.31126
14 4WOH 4NP 3.61446
15 3KAL HGS 3.97351
16 1VBH PEP 3.97351
17 2NUO BGC 4.09836
18 3V99 ACD 4.63576
19 4BG4 ARG 4.96689
20 2R0D 4IP 5.29801
21 1R27 MGD 5.62914
22 3V0H I3P 5.96026
23 3QH2 3NM 6.33484
24 5X2N ALA 6.62252
25 5EXK 5AD 6.62252
26 1G8K MGD 6.76692
27 3ZDS M8O 6.95364
28 4JZB IPE 8.27815
29 2FKA BEF 8.52713
30 2IOR ADP 9.3617
31 5F1V 3VN 12.2517
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