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 22 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 18 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 13 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: 189
This union binding pocket(no: 1) in the query (biounit: 3tw1.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3K87 FAD 0.001984 0.47728 None
2 2H5Z CTO 0.0005908 0.45084 None
3 3CB0 FMN 0.005081 0.42973 None
4 3WMX THR 0.007179 0.41402 None
5 5CJ3 52G 0.03025 0.4122 None
6 2VPE ALA ARG THR MLY GLN THR ALA 0.0162 0.40803 None
7 5FII PHE 0.009868 0.40789 None
8 1V3S ATP 0.02981 0.40041 None
9 4G4P GLN 0.005039 0.42296 0.843882
10 1U70 NDP 0.03772 0.41827 1.6129
11 1JIF CU BLM 0.03833 0.40257 1.63934
12 4CNK FAD 0.02831 0.42158 1.68776
13 1BC5 ACE ASN TRP GLU THR PHE 0.006728 0.41911 1.68776
14 4YNU LGC 0.04932 0.4161 1.68776
15 4G87 UD1 0.03855 0.40493 1.68776
16 4NTC FAD 0.01955 0.4336 2.1097
17 1JNR FAD 0.04084 0.43231 2.1097
18 3PFD FDA 0.03747 0.41489 2.1097
19 3P3G UKW 0.04283 0.40167 2.1097
20 3P3G 3P3 0.04283 0.40167 2.1097
21 5G5G MCN 0.01164 0.44153 2.53165
22 4HA9 NDP 0.009203 0.42977 2.53165
23 1RYI FAD 0.03297 0.42032 2.53165
24 4REP FAD 0.03413 0.41785 2.53165
25 1ZPR UMP 0.007742 0.4174 2.53165
26 4ISK UMP 0.008383 0.41572 2.53165
27 2KCE D16 0.04085 0.41518 2.53165
28 1GPE FAD 0.04822 0.41448 2.53165
29 2AAZ UMP 0.01114 0.41382 2.53165
30 5V2J UDP 0.04065 0.40797 2.53165
31 1SYN UMP 0.0135 0.40714 2.53165
32 2RDE C2E 0.01727 0.40325 2.53165
33 4KQP GLN 0.005142 0.41929 2.58621
34 1VG8 GNP 0.04039 0.40074 2.89855
35 3OND ADN 0.02359 0.43381 2.95359
36 5KJW 53C 0.00237 0.41202 2.95359
37 4X7G NAP 0.02672 0.40299 2.95359
38 2ZE7 DST 0.03776 0.40099 2.95359
39 2HPL ASP ASP LEU TYR GLY 0.006747 0.40386 3
40 2J9D ADP 0.01362 0.41998 3.36134
41 2J9D AMP 0.01411 0.41414 3.36134
42 2J9C ATP 0.02706 0.4098 3.36134
43 4CFP NAG AMU NAG AMV 0.01044 0.43158 3.37553
44 4I42 1HA 0.03783 0.42935 3.37553
45 3LAD FAD 0.03635 0.41929 3.37553
46 4FWE FAD 0.04364 0.41589 3.37553
47 5MW4 5JU 0.04049 0.41299 3.37553
48 3G9E RO7 0.04858 0.40471 3.37553
49 1X54 4AD 0.03292 0.40287 3.37553
50 4Z9D NAD 0.02664 0.40315 3.42857
51 1D1G NDP 0.03134 0.40503 3.57143
52 154L NAG NAG NAG 0.02469 0.40374 3.78378
53 5FJN FAD 0.01632 0.43781 3.79747
54 5FJN BE2 0.0181 0.43781 3.79747
55 2Q1S NAI 0.03428 0.41948 3.79747
56 5X8G S0N 0.04967 0.41622 3.79747
57 2RAB FAD 0.04737 0.41423 3.79747
58 5F90 GLA GAL BGC 5VQ 0.00379 0.40361 3.84615
59 1YAG ATP 0.02306 0.40936 4
60 5M67 NAD 0.01786 0.44166 4.21941
61 5M67 3D1 0.01961 0.43918 4.21941
62 2Q97 ATP 0.007404 0.43474 4.21941
63 3SJH LAR 0.01111 0.43371 4.21941
64 4PKI ATP 0.008243 0.4291 4.21941
65 3MN5 ATP 0.009122 0.4283 4.21941
66 3SJH ATP 0.009081 0.42813 4.21941
67 2FF3 ATP 0.009096 0.42645 4.21941
68 5DEY 59T 0.02955 0.41709 4.21941
69 3B4Y F42 0.01875 0.41456 4.21941
70 5J7X FAD 0.04235 0.41121 4.21941
71 3KJD 78P 0.02269 0.40874 4.21941
72 1PS9 FMN 0.02639 0.40554 4.21941
73 4I54 1C1 0.04605 0.40251 4.21941
74 1RZ0 FAD 0.02164 0.41379 4.34783
75 1RZ1 FAD 0.02872 0.40575 4.34783
76 3SAO DBH 0.0004659 0.42908 4.375
77 5F6U 5VK 0.001125 0.41257 4.4586
78 2YOA SEP 0.003841 0.44123 4.60526
79 3HRD MCN 0.02737 0.41823 4.64135
80 2Q2A ARG 0.01278 0.41009 4.64135
81 1JQI FAD 0.0494 0.40793 4.64135
82 3NYQ AMP 0.04512 0.40628 4.64135
83 4U63 FAD 0.039 0.40406 4.64135
84 1SOX MTE 0.02865 0.40095 4.64135
85 3QXV MTX 0.003526 0.44398 4.7619
86 3X1Z GNP 0.03496 0.40429 4.79042
87 4DD8 BAT 0.01301 0.4011 4.80769
88 1RLJ FMN 0.0188 0.40641 5.03597
89 2GAG FAD 0.02019 0.4372 5.06329
90 2ZKJ ADP 0.01563 0.43719 5.06329
91 3UOY FAD 0.0365 0.43463 5.06329
92 3UOY NAP 0.0365 0.43463 5.06329
93 3DAG FEG 0.01901 0.41661 5.06329
94 2GAG NAD 0.04404 0.41035 5.06329
95 1QX4 FAD 0.04684 0.40426 5.06329
96 5XDT ZI7 0.04053 0.40174 5.06329
97 4IEH 1E9 0.01072 0.42811 5.32544
98 4R81 FMN 0.00911 0.42486 5.33981
99 5EB4 FAD 0.02426 0.42825 5.48523
100 3L9W FMN 0.008676 0.42139 5.48523
101 4J7N GTG 0.01883 0.41358 5.48523
102 2RDT FMN 0.02753 0.40944 5.48523
103 2PZ8 APC 0.03255 0.40028 5.48523
104 2VT3 ATP 0.01938 0.40007 5.5814
105 3JSX CC2 0.02694 0.44351 5.90717
106 3JSX FAD 0.01578 0.41624 5.90717
107 3HQP ATP 0.01488 0.41082 5.90717
108 1QMG DMV 0.00713 0.40959 5.90717
109 4AGQ P96 0.01939 0.40805 5.93607
110 1LSZ NDG NAG NAG NAG 0.003215 0.43868 6.12245
111 1BB6 UMG 0.007159 0.43107 6.20155
112 5MBX FAD 0.04896 0.41987 6.32911
113 5MBX SP5 0.04896 0.41987 6.32911
114 2GVC FAD 0.0254 0.41976 6.32911
115 4X9M FAD 0.04067 0.41393 6.32911
116 3B96 FAD 0.04229 0.41292 6.32911
117 1I0S NAP 0.004679 0.45163 6.50888
118 1I0S FMN 0.003339 0.45163 6.50888
119 4FK7 P34 0.007628 0.40486 6.55022
120 5FVJ ACO 0.03753 0.40184 6.62651
121 4CS4 ANP 0.01185 0.44153 6.75105
122 4CS4 AXZ 0.01553 0.44002 6.75105
123 5AA4 6X4 0.02681 0.41656 6.75105
124 1KBI PYR 0.03137 0.40785 6.75105
125 3RSC TYD 0.0272 0.40398 6.75105
126 4PAB THG 0.02354 0.4019 6.75105
127 3BC1 GNP 0.03473 0.40323 6.77966
128 3ZOD HQE 0.009724 0.43453 6.80628
129 4ZV1 ARG 0.003508 0.43409 6.86695
130 4HP0 NOJ NAG NAG NAG 0.03179 0.40652 6.97674
131 2PYY GLU 0.01553 0.40102 7.01754
132 1I8T FAD 0.02339 0.42653 7.173
133 5JJU AMP 0.01284 0.40872 7.173
134 5TDF ADE 0.00006782 0.40852 7.173
135 4H2V AMP 0.02035 0.4109 7.27273
136 3F5O UOC COA 0.02257 0.41603 7.43243
137 1KSH GDP 0.01277 0.42004 7.52688
138 3HCH RSM 0.005947 0.42302 7.53425
139 4BAS GNP 0.02334 0.40769 7.53769
140 3FC4 EDO 0.01144 0.45637 7.59494
141 2OFW ADX 0.02329 0.42767 7.69231
142 4LAE 1VM 0.01504 0.44573 7.78443
143 4LAE NAP 0.01504 0.44573 7.78443
144 5F3I 5UJ 0.02308 0.41772 8.01688
145 4MO4 ACP 0.03798 0.41503 8.01688
146 1ORR NAD 0.03443 0.41128 8.01688
147 2P5B OGA 0.01586 0.40351 8.01688
148 5TME UDP 0.01019 0.41302 8.43882
149 3QH2 3NM 0.002583 0.42402 8.59729
150 1YZQ GNP 0.0407 0.4006 8.82353
151 1OBD AMP 0.005087 0.43594 8.86076
152 3C56 PH4 0.01686 0.41207 8.86076
153 5WRI A3P 0.02056 0.41084 8.86076
154 2D37 FMN 0.009853 0.43271 9.09091
155 2D37 NAD 0.01045 0.43271 9.09091
156 3N39 FMN 0.01449 0.42176 9.15033
157 4HJY NAG NAG NAG 0.0107 0.42927 9.2233
158 2R4J 13P 0.03057 0.43017 9.2827
159 1N62 MCN 0.01655 0.43186 9.63855
160 1MI3 NAD 0.04501 0.40342 9.70464
161 2A42 ATP 0.008422 0.4282 10.1266
162 5LJW ANP 0.01469 0.40431 10.1266
163 4N65 FMN 0.01817 0.42158 10.8491
164 4N65 AQN 0.04007 0.4003 10.8491
165 4M7V RAR 0.04887 0.41314 10.8571
166 4M7V NAP 0.03263 0.41178 10.8571
167 3WYF GTP 0.03096 0.4069 10.9705
168 1NP7 FAD 0.04329 0.40137 10.9705
169 1M7G ADX 0.04618 0.40419 11.3744
170 1M7G ADP 0.04263 0.40377 11.3744
171 5LJ0 6XX 0.03597 0.40085 11.5385
172 3MMG GLU THR VAL ARG PHE GLN SER ASP 0.008316 0.44022 12.2363
173 5W4W 9WG 0.02113 0.42018 13.0802
174 1QKQ MAN 0.0005142 0.47774 13.3803
175 2XVF FAD 0.03948 0.41276 13.5021
176 1SB8 UD2 0.0223 0.43878 14.346
177 1SB8 NAD 0.0198 0.43878 14.346
178 5CB8 ADX 0.006984 0.42964 14.7208
179 1RP0 AHZ 0.036 0.40949 17.2996
180 4GOJ GNP 0.03076 0.40104 17.4603
181 2FAV APR 0.009938 0.43249 17.7778
182 4ZI2 GNP 0.02265 0.40846 17.8947
183 4KAX GTP 0.02733 0.40386 18.0124
184 4O4Z N2O 0.002501 0.42251 18.1818
185 5MG2 7M8 0.01265 0.40469 18.2482
186 3AD8 NAD 0.04352 0.40759 19.1919
187 4USI ATP 0.02491 0.40607 20.7792
188 4XIZ LPP 0.02264 0.42073 21.4286
189 2V52 ATP 0.02373 0.40763 28.125
Pocket No.: 2; Query (leader) PDB : 3TW1; Ligand: AHN; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3tw1.bio1) has 8 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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