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Receptor
PDB id Resolution Class Description Source Keywords
3TW1 1.77 Å NON-ENZYME: FOLDING STRUCTURE OF RTT106-AHN SACCHAROMYCES CEREVISIAE TANDEM PLECKSTRIN-HOMOLOGY DOMAINS CHROMOSOMAL PROTEIN NUCPHOSPHOPROTEIN TRANSCRIPTION TRANSCRIPTION REGULATION CH
Ref.: STRUCTURAL BASIS FOR RECOGNITION OF H3K56-ACETYLATE H3-H4 BY THE CHAPERONE RTT106. NATURE V. 483 104 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AHN A:1;
A:302;
Valid;
Valid;
none;
none;
submit data
153.182 C7 H11 N3 O CC(=O...
GOL A:304;
A:305;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3TW1 1.77 Å NON-ENZYME: FOLDING STRUCTURE OF RTT106-AHN SACCHAROMYCES CEREVISIAE TANDEM PLECKSTRIN-HOMOLOGY DOMAINS CHROMOSOMAL PROTEIN NUCPHOSPHOPROTEIN TRANSCRIPTION TRANSCRIPTION REGULATION CH
Ref.: STRUCTURAL BASIS FOR RECOGNITION OF H3K56-ACETYLATE H3-H4 BY THE CHAPERONE RTT106. NATURE V. 483 104 2012
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 3TW1 - AHN C7 H11 N3 O CC(=O)NCCc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 20 families.
1 3TW1 - AHN C7 H11 N3 O CC(=O)NCCc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 14 families.
1 3TW1 - AHN C7 H11 N3 O CC(=O)NCCc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AHN; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AHN 1 1
2 HSM 0.428571 0.72973
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3TW1; Ligand: AHN; Similar sites found with APoc: 433
This union binding pocket(no: 1) in the query (biounit: 3tw1.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
1 2H5Z CTO None
2 3K87 FAD None
3 3CB0 FMN None
4 4YQE PLQ None
5 4YQE FMN None
6 3LF0 ATP None
7 3NCQ ATP None
8 3WMX THR None
9 5CJ3 52G None
10 3GPO APR None
11 2PJL 047 None
12 2VPE ALA ARG THR MLY GLN THR ALA None
13 1IY8 NAD None
14 5TQZ GLC None
15 5FII PHE None
16 5LU5 M7P None
17 1V3S ATP None
18 4YBN FAD 0.892857
19 1UJP CIT 1.26582
20 5XG5 A2G 1.37931
21 2QTR NXX 1.5873
22 1U70 MTX 1.6129
23 1U70 NDP 1.6129
24 1JIF CU BLM 1.63934
25 5V59 8X1 1.68776
26 2OQ2 A3P 1.68776
27 6B3V ANP 1.68776
28 4CNK FAD 1.68776
29 4MO2 FAD 1.68776
30 1BC5 ACE ASN TRP GLU THR PHE 1.68776
31 4MO2 FDA 1.68776
32 4YNU LGC 1.68776
33 5KMS FAD 1.68776
34 3BNK FMN 2.04082
35 6FSG FMN 2.04082
36 4NTC FAD 2.1097
37 1JNR FAD 2.1097
38 4LOO SB4 2.1097
39 3GAY P6T 2.1097
40 3PFD FDA 2.1097
41 3P3G UKW 2.1097
42 3P3G 3P3 2.1097
43 3EEL 53T 2.20264
44 2Z9C FMN 2.5
45 2Z9C DTC 2.5
46 5G5G MCN 2.53165
47 3TTC ADP 2.53165
48 4HA9 NDP 2.53165
49 3LU1 UD2 2.53165
50 3PP0 03Q 2.53165
51 1RYI FAD 2.53165
52 4REP FAD 2.53165
53 1ZPR UMP 2.53165
54 5I7A 68Q 2.53165
55 4ISK UMP 2.53165
56 2KCE D16 2.53165
57 1GPE FAD 2.53165
58 2AAZ UMP 2.53165
59 1AXW UMP 2.53165
60 1TLC DGP 2.53165
61 5V2J UDP 2.53165
62 1SYN UMP 2.53165
63 1TDU DUR 2.53165
64 1DDU DDU 2.53165
65 2RDE C2E 2.53165
66 2GBB CIT 2.5641
67 4KQP GLN 2.58621
68 4XJ2 FMN 2.65957
69 5XC5 GTP 2.84091
70 4G6I RS3 2.85714
71 1VG8 GNP 2.89855
72 1R2Q GNP 2.94118
73 1PN4 HDC 2.95359
74 1PL6 NAD 2.95359
75 1PL6 572 2.95359
76 3OND NAD 2.95359
77 3OND ADN 2.95359
78 1F28 UMP 2.95359
79 3KJS NAP 2.95359
80 5G3U ITW 2.95359
81 6G3R ADP 2.95359
82 4BUY F37 2.95359
83 5KJW 53C 2.95359
84 4L1F FAD 2.95359
85 6CI9 NAP 2.95359
86 4X7G NAP 2.95359
87 2RC5 FAD 2.95359
88 2ZE7 DST 2.95359
89 3MJH GTP 2.97619
90 2HPL ASP ASP LEU TYR GLY 3
91 4QAC KK3 3.22581
92 4J3L AJ5 3.33333
93 2J9D ADP 3.36134
94 2J9D AMP 3.36134
95 2J9C ATP 3.36134
96 4BMO FMN 3.36134
97 4RF7 ARG 3.37553
98 5KF9 NAG 3.37553
99 5KF9 COA 3.37553
100 3NRR D16 3.37553
101 4CFP NAG AMU NAG AMV 3.37553
102 1WOR RED 3.37553
103 3NJ4 NAD 3.37553
104 4I42 1HA 3.37553
105 3O9Z AKG 3.37553
106 2YG3 FAD 3.37553
107 4GUS FAD 3.37553
108 3LAD FAD 3.37553
109 4GUT FAD 3.37553
110 4QIJ 1HA 3.37553
111 3X0V FAD 3.37553
112 4FWE FAD 3.37553
113 3O9Z NAD 3.37553
114 1Z45 NAD 3.37553
115 5MW4 5JU 3.37553
116 3NRR UMP 3.37553
117 3NRR NAP 3.37553
118 2BNJ XYP XYP AHR FER 3.37553
119 3G9E RO7 3.37553
120 1X54 4AD 3.37553
121 2G9Z VNP 3.37553
122 2J3M PRI 3.37553
123 2J3M ATP 3.37553
124 4Z9D NAD 3.42857
125 4LHW GNP 3.44828
126 1D1G NDP 3.57143
127 3KV8 FAH 3.59712
128 1JUV NDP 3.62694
129 1YOA FAD 3.77358
130 154L NAG NAG NAG 3.78378
131 4UP3 FAD 3.79747
132 5I39 FAD 3.79747
133 6ECU SAH 3.79747
134 2Q1S NAI 3.79747
135 5X8G S0N 3.79747
136 2RAB FAD 3.79747
137 2Q4W FAD 3.79747
138 2E5A LAQ 3.79747
139 2GRU NAD 3.79747
140 5F90 LMR 3.84615
141 5F90 GLA GAL 3.84615
142 5F90 GLA GAL BGC 5VQ 3.84615
143 4DOO DAO 3.90244
144 3UIE ADX 4
145 1YAG ATP 4
146 2FXU BID 4.21941
147 5M67 NAD 4.21941
148 5M67 ADE 4.21941
149 5M67 3D1 4.21941
150 2Q97 ATP 4.21941
151 3SJH LAR 4.21941
152 1H82 FAD 4.21941
153 1H82 GZZ 4.21941
154 4PKI ATP 4.21941
155 3MN5 ATP 4.21941
156 3SJH ATP 4.21941
157 3MN6 ATP 4.21941
158 2FF3 ATP 4.21941
159 3MN7 ATP 4.21941
160 1KXP ATP 4.21941
161 2PBD ATP 4.21941
162 3FSY SCA 4.21941
163 5DEY 59T 4.21941
164 3B4Y F42 4.21941
165 5J7X FAD 4.21941
166 3MN9 ATP 4.21941
167 4XT8 TMQ 4.21941
168 4XT8 NAP 4.21941
169 3KJD 78P 4.21941
170 4B1X ATP 4.21941
171 1PS9 FMN 4.21941
172 4B1V ATP 4.21941
173 4B1V LAB 4.21941
174 2PT9 S4M 4.21941
175 5N5U 7N8 4.21941
176 2PT9 2MH 4.21941
177 4UUW AMP 4.21941
178 5NDF UDP 4.21941
179 5O3N 4LU 4.21941
180 4ZFL 4NK 4.2735
181 1FFU CDP 4.29448
182 1RZ0 FAD 4.34783
183 1RZ1 FAD 4.34783
184 3SAO DBH 4.375
185 5F6U 5VK 4.4586
186 2YOA SEP 4.60526
187 5ZM0 FAD 4.64135
188 3HRD MCN 4.64135
189 5NMX FAD 4.64135
190 2QE0 NAP 4.64135
191 4MIG G3F 4.64135
192 2WET FAD 4.64135
193 1JQI FAD 4.64135
194 1UKW FAD 4.64135
195 4ZCC FAD 4.64135
196 3NYQ AMP 4.64135
197 4U63 FAD 4.64135
198 5ORG 6DB 4.64135
199 1SOX MTE 4.64135
200 2ED4 FAD 4.69799
201 4F07 FAD 4.73684
202 3QXV MTX 4.7619
203 3X1Z GNP 4.79042
204 4DD8 BAT 4.80769
205 6CEN ACE GLY VAL NLE ARG ILE NH2 4.82456
206 1RLJ FMN 5.03597
207 5IRR GSP 5.06329
208 2GAG FAD 5.06329
209 3UOY FAD 5.06329
210 3UOY NAP 5.06329
211 4PJT 2YQ 5.06329
212 6MPT C30 5.06329
213 3DAG FEG 5.06329
214 2GAG NAD 5.06329
215 2IU8 PLM 5.06329
216 6H1U ASP 5.06329
217 5XDT ZI7 5.06329
218 4ITH RCM 5.06329
219 5G48 1FL 5.06329
220 2W83 GTP 5.19481
221 4M9Q GNP 5.28634
222 1EK0 GNP 5.29412
223 4R81 FMN 5.33981
224 4C0X AQN 5.41872
225 4I4Z 2NE 5.48523
226 5EB4 FAD 5.48523
227 2IID PHE 5.48523
228 2IID FAD 5.48523
229 3L9W FMN 5.48523
230 6AIX A3P 5.48523
231 5WS9 AMP 5.48523
232 4IV9 FAD 5.48523
233 5Y77 FAD 5.48523
234 4HKP TKW 5.48523
235 1IG3 VIB 5.48523
236 2JLD AG1 5.48523
237 4Y4V DAL 5.48523
238 2PZ8 APC 5.48523
239 1XK9 P34 5.5814
240 2VT3 ATP 5.5814
241 3B82 NAD 5.7971
242 4RYV ZEA 5.80645
243 5TUF TDC 5.90717
244 3JSX CC2 5.90717
245 5TUF FAD 5.90717
246 5Y6Q MCN 5.90717
247 3JSX FAD 5.90717
248 4H03 ATP 5.90717
249 4H03 LAR 5.90717
250 3HQP ATP 5.90717
251 1QMG DMV 5.90717
252 5O1I 9GH 5.93607
253 1LSZ NDG NAG NAG NAG 6.12245
254 1BB6 UMG 6.20155
255 1KZL CRM 6.25
256 5OC1 FAD 6.32911
257 2E3N 6CM 6.32911
258 5MBX FAD 6.32911
259 5MBX SP5 6.32911
260 2GVC FAD 6.32911
261 2GV8 FAD 6.32911
262 4X9M FAD 6.32911
263 3B96 FAD 6.32911
264 4GU5 FAD 6.32911
265 2B3D FAD 6.37255
266 4JWJ SAH 6.43564
267 4K55 H6P 6.45161
268 6GAQ FMN 6.49351
269 1I0S FMN 6.50888
270 1I0S NAP 6.50888
271 4FK7 P34 6.55022
272 5ZZA ATP 6.61157
273 5FVJ ACO 6.62651
274 1OFD FMN 6.75105
275 1OFD AKG 6.75105
276 6FHO FAD 6.75105
277 4CS4 ANP 6.75105
278 4CS4 AXZ 6.75105
279 2ZJ1 NAD 6.75105
280 2ZJ1 ARJ 6.75105
281 1NAA ABL 6.75105
282 4Z24 FAD 6.75105
283 5AA4 6X4 6.75105
284 1TOX NAD 6.75105
285 1NAA 6FA 6.75105
286 2ART LPA AMP 6.75105
287 1KBI PYR 6.75105
288 1KBI FMN 6.75105
289 3RSC TYD 6.75105
290 4PAB THG 6.75105
291 3X44 PUS 6.75105
292 1KBJ FMN 6.75105
293 3BC1 GNP 6.77966
294 1T0I FMN 6.80628
295 3ZOD FMN 6.80628
296 3ZOD HQE 6.80628
297 4ZV1 ARG 6.86695
298 2PYY GLU 7.01754
299 5TDF ADE 7.173
300 3MF2 AMP 7.173
301 1I8T FAD 7.173
302 5JJU AMP 7.173
303 4H2W AMP 7.173
304 4H2W 5GP 7.173
305 1GZ6 NAI 7.173
306 4H2V AMP 7.27273
307 1USF FMN 7.30337
308 1USF NAP 7.30337
309 3F5O UOC COA 7.43243
310 1KSH GDP 7.52688
311 3HCH RSM 7.53425
312 4BAS GNP 7.53769
313 3FC4 EDO 7.59494
314 1MXG ACR 7.59494
315 3D2M COA 7.59494
316 3QJ4 FAD 7.59494
317 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 7.61905
318 2OFW ADX 7.69231
319 4LAE NAP 7.78443
320 4LAE 1VM 7.78443
321 6D5M GNP 7.78443
322 6D5G GNP 7.78443
323 6D5E GNP 7.78443
324 1QRD FAD 8.01688
325 4ZOH MCN 8.01688
326 5YB7 ORN 8.01688
327 5YB7 FAD 8.01688
328 6F97 FAD 8.01688
329 1J3I NDP 8.01688
330 1JG3 ADN 8.01688
331 4MO4 ACP 8.01688
332 1ORR NAD 8.01688
333 4DP3 NDP 8.01688
334 5H3A UMP 8.01688
335 5H3A D16 8.01688
336 1I00 UMP 8.01688
337 1I00 D16 8.01688
338 2Y8E GNP 8.37989
339 4L2I FAD 8.43882
340 1T3Q MCN 8.43882
341 3A5Z KAA 8.43882
342 3QH2 3NM 8.59729
343 3KP6 SAL 8.60927
344 3IA4 NDP 8.64198
345 5AYT L6Y 8.80503
346 1YZQ GNP 8.82353
347 1OBD AMP 8.86076
348 2GMH FAD 8.86076
349 3C56 PH4 8.86076
350 5WRI A3P 8.86076
351 3LM9 ADP 8.9404
352 2D37 NAD 9.09091
353 2D37 FMN 9.09091
354 3DOE GTP 9.09091
355 3N39 FMN 9.15033
356 4HJY NAG NAG NAG 9.2233
357 3HXU A5A 9.2827
358 2R4J FAD 9.2827
359 2R4J 13P 9.2827
360 1F0X FAD 9.2827
361 3EM0 CHD 9.42029
362 1N62 MCN 9.63855
363 2FJK 13P 9.70464
364 1T7Q 152 9.70464
365 1T7Q COA 9.70464
366 4ZDM GLY 9.70464
367 2Q8Z NUP 9.70464
368 1MI3 NAD 9.70464
369 2NSJ C2R 10.0592
370 2A42 ATP 10.1266
371 2D1K ATP 10.1266
372 4UBS DIF 10.1266
373 5LJW ANP 10.1266
374 5NWD 9C8 10.2041
375 1NU4 MLA 10.3093
376 1ELI PYC 10.5485
377 3QSB 743 10.5485
378 1DCP HBI 10.5769
379 6DF7 G9V 10.7784
380 1YZN GNP 10.8108
381 4N65 FMN 10.8491
382 4N65 AQN 10.8491
383 4M7V RAR 10.8571
384 4M7V NAP 10.8571
385 3WYF GTP 10.9705
386 1NP7 FAD 10.9705
387 3QKD HI0 11.0497
388 3EWR APR 11.3095
389 6G96 ACO 11.3636
390 1M7G ADX 11.3744
391 1M7G ADP 11.3744
392 1R4A GNP 11.5152
393 5LJ0 6XX 11.5385
394 3GD8 GOL 11.6592
395 2ZRU FMN 11.8143
396 5DI3 GNP 11.8919
397 3MMG GLU THR VAL ARG PHE GLN SER ASP 12.2363
398 1V8B NAD 12.2363
399 4PL8 ATP 12.3288
400 5GSN FAD 12.6582
401 5W4W 9WG 13.0802
402 4KBA 1QM 13.0802
403 5O3Q CMP 13.3333
404 1QKQ MAN 13.3803
405 2XVF FAD 13.5021
406 1RKX NAD 13.9241
407 6GWR FEW 13.9241
408 5ZZB ATP 13.9706
409 1SB8 NAD 14.346
410 1SB8 UD2 14.346
411 4OJ8 2TQ 14.346
412 3WYG GTP 14.4737
413 5CB8 ADX 14.7208
414 5TS5 FAD 14.7679
415 4PTZ FMN 15.1832
416 5SVV FMN 16.0584
417 4WOE ADP 16.4557
418 1RP0 AHZ 17.2996
419 4GOJ GNP 17.4603
420 6H0B UDP 17.7215
421 2FAV APR 17.7778
422 4ZI2 GNP 17.8947
423 4KAX GTP 18.0124
424 4O4Z N2O 18.1818
425 5MG2 7M8 18.2482
426 4Z87 GDP 18.9873
427 3AD8 NAD 19.1919
428 6FP4 E1T 19.4093
429 1AOE GW3 19.7917
430 1AOE NDP 19.7917
431 4USI ATP 20.7792
432 4XIZ LPP 21.4286
433 2FF6 ATP 26.9231
Pocket No.: 2; Query (leader) PDB : 3TW1; Ligand: AHN; Similar sites found with APoc: 19
This union binding pocket(no: 2) in the query (biounit: 3tw1.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
1 5XVG 8FX 2.53165
2 4IQY AR6 2.53165
3 2VAR ANP 2.95359
4 2VAR AMP 2.95359
5 5J60 FAD 3.37553
6 4M52 M52 4.21941
7 4M52 FAD 4.21941
8 1W85 TDP 5.06329
9 2NP9 YE1 5.48523
10 1XDS SAM 5.48523
11 4Q4K FMN 5.90717
12 3L4S NAD 6.32911
13 3L4S 3PG 6.32911
14 2F5Z FAD 8.01688
15 4J56 FAD 8.77193
16 1A59 COA 8.86076
17 2DYS TGL 15.2941
18 5ZCO TGL 15.2941
19 3RNM FAD 29.3103
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