Receptor
PDB id Resolution Class Description Source Keywords
2HHP 1.8 Å EC: 2.7.7.19 STRUCTURE OF YEAST POLY(A) POLYMERASE IN A CLOSED CONFORMATI SACCHAROMYCES CEREVISIAE TEMPLATE-INDEPENDENT RNA POLYMERASE TRANSFERASE
Ref.: X-RAY CRYSTALLOGRAPHIC AND STEADY STATE FLUORESCENC CHARACTERIZATION OF THE PROTEIN DYNAMICS OF YEAST POLYADENYLATE POLYMERASE. J.MOL.BIOL. V. 366 1401 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FLC A:531;
A:532;
Valid;
Valid;
none;
none;
ic50 = 20 mM
189.1 C6 H5 O7 C(C(=...
MG A:533;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2HHP 1.8 Å EC: 2.7.7.19 STRUCTURE OF YEAST POLY(A) POLYMERASE IN A CLOSED CONFORMATI SACCHAROMYCES CEREVISIAE TEMPLATE-INDEPENDENT RNA POLYMERASE TRANSFERASE
Ref.: X-RAY CRYSTALLOGRAPHIC AND STEADY STATE FLUORESCENC CHARACTERIZATION OF THE PROTEIN DYNAMICS OF YEAST POLYADENYLATE POLYMERASE. J.MOL.BIOL. V. 366 1401 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 5 families.
1 2HHP ic50 = 20 mM FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 4 families.
1 2HHP ic50 = 20 mM FLC C6 H5 O7 C(C(=O)[O-....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1Q79 - 3AT C10 H16 N5 O12 P3 c1nc(c2c(n....
2 1F5A - 3PO H5 O10 P3 OP(=O)(O)O....
3 2HHP ic50 = 20 mM FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FLC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 FLC 1 1
2 FE CIT 0.95 0.875
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HHP; Ligand: FLC; Similar sites found: 292
This union binding pocket(no: 1) in the query (biounit: 2hhp.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2GBB CIT 0.002188 0.45828 None
2 2Q2Y ADP 0.003771 0.46485 1.08992
3 2Q2Y MKR 0.00364 0.46485 1.08992
4 1TV5 N8E 0.0002202 0.40168 1.3544
5 1ZC9 PMP 0.005738 0.46644 1.38568
6 5K8B PDG 0.02125 0.45324 1.48883
7 4ORM FMN 0.003067 0.45069 1.49626
8 4ORM ORO 0.003067 0.45069 1.49626
9 4ORM 2V6 0.003067 0.45069 1.49626
10 5IR4 ZPE 0.003864 0.48345 1.50943
11 5IUY BOG 0.02254 0.40226 1.54525
12 1F06 2NP 0.0007667 0.45866 1.5625
13 1F06 NDP 0.0007667 0.45866 1.5625
14 4O6M C5P 0.01204 0.42545 1.6129
15 3CGD FAD 0.004601 0.43666 1.66667
16 3CGD COA 0.004601 0.43666 1.66667
17 3CGD NAD 0.004601 0.43666 1.66667
18 4DV8 0LX 0.01646 0.42656 1.71103
19 1OLM VTQ 0.0009305 0.47528 1.73697
20 3SP6 IL2 0.0003887 0.52188 1.75439
21 4CFP NAG AMU NAG AMV 0.02332 0.4187 1.75953
22 2Z7I 742 0.0002221 0.53405 1.76471
23 1NHZ 486 0.01527 0.46118 1.78571
24 3KDU NKS 0.002193 0.45031 1.80505
25 2PSJ CEI 0.03213 0.42022 1.88088
26 2ZPA ACO 0.000911 0.46449 1.88679
27 3TDC 0EU 0.002369 0.45867 1.88679
28 1UBY DMA 0.0008875 0.41753 1.90736
29 4UP3 FAD 0.02431 0.46024 1.91083
30 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.001566 0.40907 1.91205
31 4LSJ LSJ 0.001111 0.41792 1.93798
32 4OKS 2T9 0.03635 0.41116 1.93966
33 3BQD DAY 0.0002779 0.47243 1.96078
34 1BZL FAD 0.003585 0.49244 2.05761
35 1BZL GCG 0.004341 0.43313 2.05761
36 4GYW UDP 0.00089 0.50998 2.07547
37 5BNW 12V 0.001193 0.48779 2.07547
38 1DFO PLG 0.01842 0.45712 2.15827
39 5UI2 EQ3 0.0005199 0.48572 2.2082
40 3VRV YSD 0.003249 0.42673 2.21402
41 5X2Z 3LM 0.03525 0.41298 2.26131
42 4PFC 2QX 0.001294 0.43537 2.26415
43 1DB1 VDX 0.000545 0.46779 2.3166
44 3U5S FAD 0.001122 0.4389 2.38095
45 5B4B LP5 0.0001391 0.4836 2.41935
46 3G5D 1N1 0.002445 0.44431 2.44755
47 1N20 3AG 0.02546 0.41771 2.45283
48 1ATL 0QI 0.002139 0.42893 2.47525
49 1MO9 FAD 0.001291 0.48417 2.48566
50 1MO9 KPC 0.001677 0.4672 2.48566
51 4OMJ 2TX 0.001091 0.45843 2.51799
52 1M13 HYF 0.0002845 0.51414 2.53165
53 2ZKJ ADP 0.03106 0.42496 2.53807
54 3FQ8 PMP 0.03392 0.40746 2.57611
55 3QCJ NX4 0.0003004 0.46487 2.58065
56 1JUV NDP 0.0148 0.45525 2.59067
57 4DP3 MMV 0.02967 0.4449 2.64151
58 5BSR COA 0.002279 0.4322 2.64151
59 2JC9 ADN 0.007743 0.42821 2.64151
60 4J7N GTG 0.01628 0.43844 2.6455
61 1NP7 FAD 0.001176 0.41194 2.65849
62 5AZC PGT 0.002464 0.50018 2.66667
63 4LNL 2BO 0.02429 0.40648 2.7027
64 2AX9 BHM 0.0006302 0.54796 2.73438
65 3WCA FPS 0.009739 0.40996 2.73973
66 4JZX 476 0.006387 0.41539 2.76243
67 1P0H ACO 0.0003592 0.50365 2.83019
68 1P0H COA 0.0003505 0.50365 2.83019
69 3R9C ECL 0.002751 0.49753 2.87081
70 5MFI LYS ARG LYS ARG LYS ARG LYS ARG 0.04404 0.44149 2.88066
71 5L7G 6QE 0.00008028 0.58835 2.95082
72 4IGH ORO 0.00001408 0.66276 2.95699
73 4IGH FMN 0.00001408 0.66276 2.95699
74 4IGH 1EA 0.00001408 0.66276 2.95699
75 1N83 CLR 0.0007379 0.44717 2.96296
76 4RHP PEF 0.003379 0.46163 2.97872
77 1KOL NAD 0.001088 0.46177 3.01508
78 4DXJ 0M9 0.00334 0.45226 3.03867
79 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.0002032 0.41767 3.06122
80 2IYA ZIO 0.001961 0.42243 3.06604
81 5G3N X28 0.003149 0.48547 3.14961
82 2JFN UMA 0.002652 0.50156 3.15789
83 1LW4 TLP 0.02901 0.4011 3.17003
84 1LW4 PLP 0.02561 0.4011 3.17003
85 2O1V ADP 0.00001565 0.55144 3.20755
86 1MLY ACZ PLP 0.02553 0.42662 3.20755
87 3PDB PMP 0.0207 0.40948 3.2419
88 4TMK T5A 0.0006315 0.51508 3.28639
89 1M4I KAN 0.004766 0.47222 3.31492
90 1M4I COA 0.004766 0.47222 3.31492
91 1M4I PAP 0.004766 0.47222 3.31492
92 2J07 FAD 0.002255 0.45962 3.33333
93 2WK9 PLP 0.04305 0.41069 3.3419
94 4XSU UDP 0.000787 0.49702 3.35052
95 4XSU GLC 0.000787 0.49702 3.35052
96 5BZ4 COA 0.008512 0.4158 3.4398
97 5KOR GDP 0.0001297 0.54226 3.45489
98 4B5P ACO 0.0006803 0.4925 3.5
99 4I4B 1CV 0.00007551 0.55841 3.50467
100 4I4B NAD 0.0001668 0.55841 3.50467
101 1KDO C 0.003917 0.45982 3.52423
102 1OJ4 ANP 0.04892 0.41519 3.53357
103 4IEH 1E9 0.0002167 0.49198 3.5503
104 2A3I C0R 0.0000648 0.60313 3.55731
105 5XDT MB3 0.00002468 0.5672 3.57143
106 5XDT ZI7 0.002607 0.4676 3.57143
107 4IVG ANP 0.0003977 0.48448 3.58491
108 2UUU PL3 0.001502 0.45538 3.58491
109 2UUU FAD 0.001502 0.45538 3.58491
110 4COL DTP 0.004444 0.45048 3.58491
111 3RDE OYP 0.02284 0.4089 3.58491
112 2Q1H AS4 0.00006947 0.57904 3.6
113 3QCP FAD 0.0006786 0.49322 3.61702
114 5W71 PLP 0.01725 0.45072 3.63636
115 5W71 9YM 0.04861 0.43154 3.63636
116 1P6D 3PC 0.01748 0.41575 3.67347
117 2YVF NAD 0.04909 0.44753 3.67647
118 2YVF FAD 0.04821 0.44753 3.67647
119 4MKF AP5 0.02257 0.46161 3.68664
120 1Q2C COA 0.0002129 0.4377 3.7037
121 4NES UD1 0.03008 0.44625 3.74332
122 3KMZ EQO 0.001207 0.44389 3.7594
123 1WWZ ACO 0.0001778 0.51003 3.77358
124 1YC4 43P 0.00009527 0.51273 3.78788
125 1XHC FAD 0.00691 0.49974 3.81471
126 1QZR CDX 0.0005708 0.48323 3.82775
127 1QZR ANP 0.0007437 0.44386 3.82775
128 1SR7 MOF 0.001116 0.46353 3.861
129 3LEO GSH 0.0004704 0.48162 3.87097
130 3T31 FAD 0.006995 0.41813 3.89016
131 3T31 DCQ 0.007324 0.41813 3.89016
132 3KFC 61X 0.00005204 0.57012 3.95257
133 4IA6 EIC 0.01625 0.43616 3.96226
134 4C3Y FAD 0.02362 0.43215 3.96226
135 4C3Y ANB 0.02695 0.43215 3.96226
136 4M7V RAR 0.03472 0.42117 4
137 3B99 U51 0.0004047 0.40332 4
138 4RC8 STE 0.0005636 0.49388 4.05405
139 4YV5 SVR 0.00007757 0.60233 4.09836
140 2QHD DAO 0.001995 0.46001 4.09836
141 2H92 C5P 0.003131 0.47305 4.10959
142 3UST FAD 0.001376 0.42982 4.11985
143 1YKI NFZ 0.0009219 0.51047 4.14747
144 1YKI FMN 0.0008064 0.51047 4.14747
145 2HW2 RFP 0.04827 0.43198 4.1958
146 3LAD FAD 0.02804 0.44653 4.20168
147 5KAU RHQ 0.0003768 0.4815 4.24242
148 2HFP NSI 0.0002012 0.47166 4.25532
149 2X61 NGA GAL SIA 0.03246 0.42678 4.26357
150 4RW3 SHV 0.005073 0.40823 4.30464
151 2IMW DDS 0.03122 0.40165 4.31034
152 3BJC WAN 0.04053 0.4049 4.33962
153 3L0E G58 0.00002174 0.63415 4.34783
154 4B7P 9UN 0.00007639 0.55431 4.34783
155 2FZH DH1 0.02601 0.44942 4.36893
156 2CNT COA 0.00006151 0.5299 4.375
157 4F4P 0SB 0.004539 0.46316 4.3956
158 4NKT 2KH 0.005537 0.42256 4.39883
159 2CIG 1DG 0.007119 0.49984 4.40252
160 3ANP DCC 0.01497 0.4658 4.41176
161 3ANP DAO 0.016 0.46385 4.41176
162 3FUR Z12 0.004195 0.45019 4.41176
163 3G9E RO7 0.00002376 0.58875 4.42804
164 1BGQ RDC 0.00002581 0.60077 4.44444
165 1GHE ACO 0.0004068 0.46118 4.51977
166 1H9G COA MYR 0.00009918 0.57047 4.52675
167 1EM6 CP4 0.01831 0.40868 4.5283
168 1YRE COA 0.0005288 0.44952 4.56853
169 5LJ0 6XX 0.002557 0.40169 4.61538
170 2BL9 CP6 0.03928 0.40257 4.62185
171 1QF9 C5P 0.02239 0.45463 4.63918
172 2XBN PMP 0.03726 0.40861 4.68384
173 4EOY ASN ASP TRP LEU LEU PRO SER TYR 0.03774 0.40985 4.6875
174 1I2B NAD 0.004318 0.48751 4.70297
175 4ZBR NPS 0.000304 0.51938 4.71698
176 4ZBR DIF 0.0003192 0.51938 4.71698
177 4G19 GSH 0.006987 0.40515 4.74308
178 1T8U UAP SGN IDS SGN 0.006226 0.4562 4.77941
179 3EWK FAD 0.001299 0.43088 4.84582
180 2WKV COA 0.01379 0.42282 4.84694
181 3G6K POP 0.006572 0.49438 4.87013
182 3G6K FAD 0.00714 0.49438 4.87013
183 1YMT DR9 0.0003144 0.50486 4.87805
184 2WR1 NAG 0.000325 0.45183 4.91159
185 3CEV ARG 0.01354 0.42024 5.01672
186 2H7C COA 0.03982 0.42299 5.09434
187 4J7Q B7N 0.0006687 0.46063 5.1051
188 4KVX ACO 0.0001666 0.51315 5.12821
189 2RKN LP3 0.0086 0.40685 5.19481
190 4XB4 45D 0.000165 0.51754 5.26316
191 4EPL JAI 0.003278 0.49613 5.28302
192 3EE4 MYR 0.0005541 0.47543 5.28302
193 4WZ8 3W7 0.0169 0.48148 5.3316
194 3P3G 3P3 0.01487 0.44245 5.33333
195 3P3G UKW 0.01487 0.44245 5.33333
196 4OR7 25U 0.04753 0.40535 5.45455
197 1XW6 GSH 0.003369 0.48245 5.50459
198 2VL8 UDP 0.00006429 0.49695 5.66038
199 2VL8 CTS 0.00007611 0.49695 5.66038
200 1BUC CAA 0.001321 0.45237 5.74413
201 3MBG FAD 0.0005817 0.51886 5.7554
202 4URN NOV 0.00001788 0.40346 5.77778
203 5G41 AP5 0.02382 0.46902 5.8296
204 2WPX ACO 0.002439 0.41432 5.8997
205 2NYR SVR 0.03696 0.44552 5.90406
206 3OZV FAD 0.0122 0.45157 5.95534
207 1FCH TYR GLN SER LYS LEU 0.02485 0.4177 5.97826
208 3AHQ FAD 0.000314 0.46726 6.02151
209 3HRD FAD 0.005063 0.42793 6.11765
210 3R5Y F42 0.001242 0.4439 6.12245
211 5HGZ ACO 0.00004869 0.48354 6.17284
212 2C31 ADP 0.006723 0.45599 6.22642
213 2C31 TZD 0.006846 0.45599 6.22642
214 2WPF WPF 0.001928 0.554 6.26263
215 2WPF FAD 0.002867 0.51235 6.26263
216 3FAP ARD 0.002572 0.42348 6.38298
217 3P0K FAD 0.004328 0.41282 6.39098
218 3O55 FAD 0.00109 0.46511 6.4
219 1YKD CMP 0.004373 0.42976 6.53266
220 2BIF BOG 0.02453 0.41608 6.60981
221 4OGN 2U5 0.03154 0.43434 6.66667
222 4MFL MFK 0.04421 0.41502 6.66667
223 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 0.0008401 0.48444 6.72269
224 4P3H 25G 0.008489 0.45987 6.73575
225 3GFZ FMN 0.006393 0.41279 6.77966
226 2QZO KN1 0.00007678 0.56707 6.97674
227 2QA8 GEN 0.00007189 0.54731 6.97674
228 3TGE TGE 0.007611 0.43314 7.05521
229 4MG7 27H 0.00008185 0.55349 7.05882
230 4MGB XDH 0.00008124 0.55263 7.05882
231 5U98 1KX 0.000624 0.51454 7.07071
232 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 0.001045 0.47225 7.07071
233 1YYE 196 0.00007935 0.53999 7.08955
234 3UUD EST 0.00007291 0.54641 7.17131
235 2I0G I0G 0.0003866 0.4902 7.393
236 1WYV PLP AOA 0.021 0.42922 7.53425
237 5EY0 GTP 0.0005811 0.48333 7.66423
238 5E7V M7E 0.0004029 0.47762 7.66667
239 1CMC SAM 0.01267 0.44118 7.69231
240 1TIQ COA 0.0001313 0.47863 7.77778
241 2F5Z FAD 0.03715 0.42262 7.8125
242 3OLL EST 0.00009095 0.53495 7.91667
243 4J24 EST 0.01375 0.41754 7.91667
244 2EVL GAL SPH EIC 0.004026 0.48353 8.13397
245 3HOK Q80 0.003277 0.45963 8.15451
246 3V49 PK0 0.0005867 0.49549 8.27068
247 2BJ4 OHT 0.00249 0.50472 8.33333
248 1D1G MTX 0.008529 0.44886 8.33333
249 2A1L PCW 0.0234 0.46417 8.51852
250 3MPI GRA 0.04811 0.4319 8.56423
251 3BEJ MUF 0.0003815 0.54716 8.82353
252 4ZOM 4Q3 0.002175 0.49237 8.88889
253 3RET PYR 0.01087 0.43356 8.91089
254 4IHL 1F5 0.04607 0.40876 8.93617
255 5JCM FAD 0.001025 0.49962 9.09091
256 5JCM NAD 0.001048 0.49962 9.09091
257 5JCM ISD 0.001048 0.49962 9.09091
258 1NF8 BOG 0.00009351 0.40774 9.17874
259 3DCM SAM 0.0001518 0.52499 9.375
260 3IS2 FAD 0.0005369 0.47696 9.74026
261 3SQP FAD 0.004053 0.52719 9.83264
262 4ZGM 32M 0.0009569 0.40188 9.83607
263 1FM9 9CR 0.00008918 0.56265 10.084
264 1FM9 570 0.002771 0.47492 10.084
265 3ZJ0 ACO 0.0006058 0.47048 10.1942
266 2FP2 TSA 0.0139 0.41246 10.241
267 1LBZ FBP 0.001308 0.47769 10.3175
268 4POJ 2VP 0.00006656 0.61449 10.3896
269 3H0A D30 0.003443 0.43257 10.5263
270 2QZT PLM 0.0001652 0.53442 10.8108
271 2BW7 ECS 0.01447 0.43278 10.9589
272 2BW7 APC 0.01557 0.43278 10.9589
273 4H6U ACO 0.0007729 0.45389 11
274 2GQT FAD 0.001355 0.52311 11.194
275 2QXX TTP 0.0274 0.40981 11.5789
276 3HIW C2X 0.022 0.43333 11.583
277 2Q0D ATP 0.04074 0.4011 11.6147
278 2PRG BRL 0.0009801 0.5146 12.5
279 2GFD RDA 0.00005061 0.5473 12.7119
280 1JR8 FAD 0.0008431 0.4733 12.8205
281 2WOR 2AN 0.00005201 0.51496 13
282 5L2J 70E 0.0001811 0.51611 14.6667
283 5L2J 6UL 0.0001723 0.51611 14.6667
284 3DBX PLM 0.0001183 0.51104 14.8789
285 3VHZ L2P GLC MAN SGA 0.002729 0.4506 14.8855
286 3VHZ SOG 0.003062 0.43986 14.8855
287 2XN3 ID8 0.001988 0.47559 15
288 2E2R 2OH 0.004577 0.48586 15.1639
289 3F8D FAD 0.00288 0.47781 15.1703
290 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 0.000874 0.52577 18.75
291 1NTV ASN PHE ASP ASN PRO VAL TYR ARG LYS THR 0.0008284 0.45765 21.0526
292 2WCJ M21 0.04876 0.41124 26.2411
293 1YOK P6L 0.0003521 0.50506 50
294 4P6X HCY 0.000545 0.47392 50
Pocket No.: 2; Query (leader) PDB : 2HHP; Ligand: FLC; 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: 2hhp.bio1) has 6 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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