Receptor
PDB id Resolution Class Description Source Keywords
3K56 2.34 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF ISOPENTENYL PHOSPHATE KINASE FROM M. JA IN COMPLEX WITH IPP BETA-S METHANOCALDOCOCCUS JANNASCHII SMALL MOLECULE KINASE ATP-BINDING ATP GAMMA-S TRANSFERASEMETHANOCALDOCOCCUS JANNASCHII ISOPENTENYL MONOPHOSPHATE ISOPENTENYL DIPHOSPHATE ISOPRENOID BIOSYNTHESIS MEVALONATPATHWAY ARCHAEA
Ref.: MUTATION OF ARCHAEAL ISOPENTENYL PHOSPHATE KINASE H MECHANISM AND GUIDES PHOSPHORYLATION OF ADDITIONAL ISOPRENOID MONOPHOSPHATES. ACS CHEM.BIOL. V. 5 589 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IS3 A:300;
B:300;
Valid;
Valid;
none;
none;
submit data
264.174 C5 H14 O6 P2 S CC(C)...
SO4 A:303;
A:304;
B:301;
B:302;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3K56 2.34 Å EC: 2.-.-.- CRYSTAL STRUCTURE OF ISOPENTENYL PHOSPHATE KINASE FROM M. JA IN COMPLEX WITH IPP BETA-S METHANOCALDOCOCCUS JANNASCHII SMALL MOLECULE KINASE ATP-BINDING ATP GAMMA-S TRANSFERASEMETHANOCALDOCOCCUS JANNASCHII ISOPENTENYL MONOPHOSPHATE ISOPENTENYL DIPHOSPHATE ISOPRENOID BIOSYNTHESIS MEVALONATPATHWAY ARCHAEA
Ref.: MUTATION OF ARCHAEAL ISOPENTENYL PHOSPHATE KINASE H MECHANISM AND GUIDES PHOSPHORYLATION OF ADDITIONAL ISOPRENOID MONOPHOSPHATES. ACS CHEM.BIOL. V. 5 589 2010
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 236 families.
1 3K56 - IS3 C5 H14 O6 P2 S CC(C)CCO[P....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 211 families.
1 3K56 - IS3 C5 H14 O6 P2 S CC(C)CCO[P....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 3LL9 - ADP C10 H15 N5 O10 P2 c1nc(c2c(n....
2 3K56 - IS3 C5 H14 O6 P2 S CC(C)CCO[P....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: IS3; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 IS3 1 1
2 IPR 0.666667 0.918919
3 EIP 0.454545 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3K56; Ligand: IS3; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3k56.bio2) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3K56; Ligand: IS3; Similar sites found: 389
This union binding pocket(no: 2) in the query (biounit: 3k56.bio2) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0004164 0.5165 None
2 1UO4 PIH 0.0004424 0.50255 None
3 4F4S EFO 0.001198 0.4325 None
4 1OGD RIP 0.001729 0.42605 None
5 2ZE3 AKG 0.002577 0.42489 None
6 4INB 1F6 0.00136 0.41792 None
7 1LNX URI 0.003333 0.41451 None
8 1Z42 HBA 0.04145 0.40975 1.12782
9 2F6U CIT 0.00949 0.416 1.28205
10 3KYF 5GP 5GP 0.007586 0.41153 1.2987
11 3CEV ARG 0.00177 0.41997 1.50376
12 2AEB ABH 0.003093 0.41343 1.50376
13 2HFK E4H 0.005728 0.40497 1.50376
14 4K79 GAL A2G 0.01586 0.40041 1.81818
15 1EYE PMM 0.001006 0.41868 1.8797
16 2GDZ NAD 0.005272 0.41026 1.8797
17 3UWB BB2 0.006456 0.41386 1.94805
18 4AIG FLX 0.003751 0.40229 1.99005
19 3QDW A2G 0.000125 0.51838 2.0979
20 3QDT A2G GAL 0.0001704 0.50105 2.0979
21 3QDY A2G GAL 0.0002584 0.49257 2.0979
22 3QDW NDG 0.002677 0.43735 2.0979
23 3QDY CBS 0.002736 0.43692 2.0979
24 1O9U ADZ 0.001995 0.45942 2.25564
25 2ZJ5 ADP 0.001145 0.43967 2.25564
26 1J2Z SOG 0.004493 0.43356 2.25564
27 2YBQ SAH 0.001333 0.41825 2.25564
28 1IT7 GUN 0.00257 0.4127 2.25564
29 1PL6 572 0.006195 0.41127 2.25564
30 1PL6 NAD 0.003808 0.40509 2.25564
31 1NNS ASP 0.001267 0.42017 2.45399
32 4U36 TNR 0.00556 0.40221 2.5
33 2J8Z NAP 0.0001177 0.47259 2.63158
34 1I0Z OXM 0.003612 0.44677 2.63158
35 4W6Z ETF 0.004534 0.44192 2.63158
36 4O1M NAD 0.002066 0.42604 2.63158
37 1RYI GOA 0.02964 0.42201 2.63158
38 2Q97 ATP 0.00201 0.41544 2.63158
39 1KTC NGA 0.004053 0.41106 2.63158
40 1UOU CMU 0.001358 0.40907 2.63158
41 4UAL 3FV 0.0009718 0.4016 2.63158
42 1A59 CIT 0.01659 0.40148 2.63158
43 1UF5 CDT 0.004106 0.4008 2.63158
44 3FS8 TDR 0.04909 0.40051 2.63158
45 2AE2 NAP 0.0246 0.41052 2.69231
46 4COQ SAN 0.009324 0.4069 2.83401
47 1EDO NAP 0.004994 0.44211 2.86885
48 1JGS SAL 0.003795 0.46477 2.89855
49 2WGC SIA GAL BGC 0.0104 0.4411 2.92398
50 1WGC SIA GAL BGC 0.02904 0.40904 2.92398
51 2UVO NDG 0.03989 0.40571 2.92398
52 1NZY BCA 0.0002077 0.46143 3.00752
53 2OWZ CIT 0.001033 0.44848 3.00752
54 1V6A TRE 0.0007302 0.44785 3.00752
55 4L3L 5FI 0.003475 0.43996 3.00752
56 1X54 4AD 0.0007541 0.43497 3.00752
57 2BGM NAJ 0.005542 0.43348 3.00752
58 1UXG NAD 0.003075 0.42902 3.00752
59 1UXG FUM 0.003075 0.42902 3.00752
60 3LTW HLZ 0.005331 0.41749 3.00752
61 3ZUY TCH 0.001609 0.41623 3.00752
62 1DL5 SAH 0.01018 0.41482 3.00752
63 2JFV FLC 0.007948 0.40993 3.00752
64 2PTZ PAH 0.002216 0.40382 3.00752
65 2PX8 SAH 0.01116 0.40171 3.00752
66 1P9P SAH 0.002882 0.40961 3.06513
67 1UJ5 5RP 0.0005148 0.41923 3.0837
68 2PT9 2MH 0.0006256 0.45174 3.11526
69 2PT9 S4M 0.000407 0.44685 3.11526
70 2HVK TBA 0.00225 0.43378 3.19635
71 1UZN NAP 0.00071 0.42158 3.23887
72 1H9G COA MYR 0.001358 0.42861 3.29218
73 1R6N 434 0.01382 0.40844 3.31754
74 2IMP NAI 0.007343 0.43946 3.38346
75 3V1U NAD 0.000856 0.4346 3.38346
76 3B6R CRN 0.01165 0.4316 3.38346
77 1HFA PIO 0.005273 0.42783 3.38346
78 2XVE FAD 0.009846 0.42563 3.38346
79 2QV7 ADP 0.0004035 0.42096 3.38346
80 5D63 FUC GLA GLA 0.00456 0.42044 3.38346
81 4RJK PYR 0.01233 0.41361 3.38346
82 4E28 0MZ 0.005601 0.41074 3.38346
83 2ZYF AKG 0.003698 0.40744 3.38346
84 3VOZ 04A 0.01288 0.40405 3.38346
85 1Y42 TYR 0.006097 0.40387 3.38346
86 3LAD FAD 0.03989 0.40161 3.38346
87 3DAG FEG 0.006587 0.40094 3.38346
88 3B6C SDN 0.01044 0.41393 3.4188
89 1XX4 BAM 0.005076 0.43951 3.44828
90 2VQ5 HBA 0.01066 0.4102 3.48259
91 3SCH TB6 0.004646 0.42008 3.53535
92 1QDS PGA 0.001642 0.41589 3.58566
93 1I1Q TRP 0.002837 0.41194 3.64583
94 1P9B HDA 0.00009717 0.48454 3.7594
95 4CIB 7UZ 0.0002482 0.46748 3.7594
96 2HGZ PBF 0.0002367 0.45395 3.7594
97 2Q8H TF4 0.004745 0.44095 3.7594
98 4M5P MLA 0.01013 0.43271 3.7594
99 1V5F FAD 0.03295 0.42938 3.7594
100 1V5F TPP 0.03295 0.42938 3.7594
101 3NNF AKG 0.003809 0.42384 3.7594
102 4M5P 23W 0.008255 0.42184 3.7594
103 1B8U OAA 0.003236 0.42112 3.7594
104 1B8U NAD 0.00126 0.42112 3.7594
105 3B9Z CO2 0.00501 0.41866 3.7594
106 1HEX NAD 0.003821 0.41291 3.7594
107 2EFJ SAH 0.001446 0.41275 3.7594
108 1N4W FAD 0.02714 0.41097 3.7594
109 3A8U PLP 0.003659 0.40908 3.7594
110 1KOL NAD 0.0005317 0.45712 3.76884
111 3JQM GTP 0.000157 0.42165 3.82166
112 1Y1A GSH 0.001982 0.48685 3.82514
113 1RYD GLC 0.0001858 0.48085 3.87597
114 1QH9 LAC 0.001817 0.43782 3.87931
115 3PNA CMP 0.002149 0.41667 3.8961
116 1XE7 GUN 0.002128 0.45805 3.94089
117 1VBO MAN MAN MAN 0.03895 0.40453 4.02685
118 3A2Y TS5 0.001089 0.40054 4.06091
119 1UAY ADN 0.001049 0.41307 4.13223
120 4JLV ADP 0.007062 0.44533 4.13534
121 1SOW NAD 0.001763 0.43144 4.13534
122 2BO4 FLC 0.005685 0.42257 4.13534
123 4B9E FAH 0.01202 0.41539 4.13534
124 2VDJ HSE 0.01584 0.40846 4.13534
125 3TO7 COA 0.01099 0.4068 4.13534
126 4IZC 1GZ 0.02504 0.40213 4.13534
127 1DXY COI 0.03166 0.40027 4.13534
128 1JUV NDP 0.001653 0.42535 4.14508
129 2HMT NAI 0.003257 0.43675 4.16667
130 4JCA CIT 0.01445 0.42475 4.19162
131 1T57 FMN 0.00233 0.41305 4.36893
132 3R51 MMA 0.0009193 0.47592 4.375
133 1U7Z PMT 0.001478 0.43574 4.42478
134 1R37 NAD 0.0006416 0.45131 4.51128
135 4DQ2 BTX 0.000559 0.44651 4.51128
136 3ZGE ASP 0.004421 0.43461 4.51128
137 3FPZ AHZ 0.009655 0.43423 4.51128
138 2C31 TZD 0.01025 0.43036 4.51128
139 2C31 ADP 0.00994 0.43036 4.51128
140 2V7T SAH 0.0374 0.41193 4.51128
141 5EQU AKG 0.01495 0.40965 4.51128
142 2HGS GSH 0.001357 0.40909 4.51128
143 1F74 NAY 0.001937 0.40592 4.51128
144 3I7S PYR 0.00003676 0.40391 4.51128
145 1OTH PAO 0.01061 0.4009 4.51128
146 4JWX 1N4 0.007261 0.40079 4.51128
147 3S2Y FMN 0.00257 0.40578 4.52261
148 3QH2 3NM 0.009548 0.41587 4.52489
149 1Q3Q ANP 0.006919 0.4294 4.56204
150 4IS0 1R4 0.00371 0.40552 4.56432
151 2Y7P SAL 0.005749 0.40491 4.58716
152 2PWY SAH 0.0005152 0.43938 4.65116
153 4PO2 ASN ARG LEU LEU LEU THR GLY 0.002351 0.41291 4.68085
154 2GMM MAN MAN 0.0124 0.43953 4.7619
155 1ZJ6 G3D 0.0006854 0.42481 4.81283
156 3IHB TRS 0.0001091 0.54927 4.88722
157 1T3D CYS 0.0004956 0.47043 4.88722
158 1R27 MGD 0.0008356 0.44931 4.88722
159 3P3N AKG 0.001662 0.4395 4.88722
160 3IHB GLU 0.002966 0.43534 4.88722
161 1H2M OGA 0.002512 0.4317 4.88722
162 1H2K OGA 0.002535 0.43153 4.88722
163 2Y0I AKG 0.00239 0.42627 4.88722
164 1JA9 PYQ 0.00315 0.41756 4.88722
165 3OIG NAD 0.01482 0.41674 4.88722
166 4OB6 S2T 0.0005337 0.41632 4.88722
167 1YOE RIB 0.002905 0.41154 4.88722
168 1GSA ADP 0.01564 0.40853 4.88722
169 1A8S PPI 0.002388 0.40728 4.88722
170 1GAD NAD 0.005398 0.40572 4.88722
171 1GSA GSH 0.00336 0.40152 4.88722
172 4JEJ 1GP 0.0007815 0.42271 4.91803
173 2NUO BGC 0.009346 0.41161 4.91803
174 3VHZ L2P GLC MAN SGA 0.007661 0.43317 4.96183
175 1UW1 ADP 0.001876 0.43067 5
176 3UIE ANP 0.003765 0.40223 5
177 3GM5 CIT 0.002333 0.4331 5.03145
178 1A69 FMB 0.03765 0.4006 5.04202
179 3S9K CIT 0.00291 0.46153 5.08475
180 2Y6P CTP 0.001898 0.41351 5.12821
181 1GPM AMP 0.001936 0.45379 5.26316
182 4C2G ALA ALA ALA ALA 0.0006843 0.43612 5.26316
183 3SQG COM 0.0108 0.43128 5.26316
184 3L6R MLI 0.003653 0.43126 5.26316
185 2HW1 FRU 0.002297 0.42699 5.26316
186 4C2C ALA ALA ALA 0.011 0.41345 5.26316
187 3IL6 B83 0.002129 0.41077 5.26316
188 5F90 GLA GAL BGC 5VQ 0.0477 0.40359 5.26316
189 3I51 45C 0.002995 0.40129 5.26316
190 3BHO B4P 0.01712 0.42095 5.28846
191 1N13 AG2 0.01205 0.41331 5.30973
192 2QQC AG2 0.01263 0.41226 5.35714
193 2FWP CIT 0.001219 0.43634 5.46448
194 1WHT BZS 0.00238 0.43273 5.46875
195 2JAR UMP 0.0002176 0.41271 5.5
196 4F8L GAL 0.005823 0.45473 5.51724
197 4F8L AES 0.004372 0.43421 5.51724
198 2OFD NGA 0.001278 0.44446 5.6338
199 2OFE NAG 0.01333 0.40012 5.6338
200 1PEA ACM 0.001459 0.45725 5.6391
201 1QO0 BMD 0.002636 0.43079 5.6391
202 1I2B UPG 0.008809 0.42353 5.6391
203 1I2B USQ 0.008809 0.42353 5.6391
204 1I2B NAD 0.008809 0.42353 5.6391
205 1M1B SPV 0.004652 0.41413 5.6391
206 3LM9 ADP 0.001452 0.41284 5.6391
207 1NML CIT 0.005772 0.40484 5.6391
208 1R18 SAH 0.0001384 0.4055 5.72687
209 1VE3 SAM 0.0003555 0.40322 5.72687
210 3TA2 AKG 0.001197 0.43377 5.9322
211 3H86 AP5 0.002667 0.43898 6.01504
212 3Q9T FAY 0.0023 0.43408 6.01504
213 4KCT FDP 0.0007373 0.42364 6.01504
214 2XK9 XK9 0.003589 0.42181 6.01504
215 3L24 GOA 0.01908 0.41118 6.01504
216 4KCT PYR 0.004974 0.40239 6.01504
217 2X61 NGA GAL SIA 0.006116 0.43167 6.20155
218 2FKA BEF 0.01683 0.40912 6.20155
219 2X61 CH 0.01099 0.4078 6.20155
220 1Y8O ADP 0.0004996 0.41216 6.25
221 2F01 BTQ 0.01469 0.42007 6.29921
222 2F01 BTN 0.01497 0.4197 6.29921
223 1A5V Y3 0.001081 0.4407 6.32911
224 2EB5 OXL 0.005075 0.43395 6.39098
225 4WVH ASP HIS ASP ALA HIS ALA 0.001705 0.4206 6.39098
226 1XMV ADP 0.009298 0.42029 6.39098
227 2DVZ GLU 0.001297 0.41978 6.39098
228 1O68 KIV 0.002548 0.41923 6.39098
229 1DSS NAD 0.003215 0.41279 6.39098
230 1WVG APR 0.005088 0.40521 6.39098
231 1TLG GAL 0.01708 0.40046 6.4
232 4DN8 BMA 0.01107 0.40364 6.41026
233 3VKX T3 0.002153 0.41155 6.51341
234 4K7O EKZ 0.01505 0.40339 6.54762
235 1JAC AMG 0.0002143 0.51868 6.76692
236 4B16 NAG 0.001705 0.47248 6.76692
237 4WBD CIT 0.00412 0.43605 6.76692
238 2NLI FMN 0.009585 0.42342 6.76692
239 4O8A 2OP 0.01939 0.41084 6.76692
240 1PHP ADP 0.01024 0.40866 6.76692
241 1CKN GTP 0.003503 0.40836 6.76692
242 2F2U M77 0.002616 0.40823 6.76692
243 4ER2 IVA VAL VAL STA ALA STA 0.03615 0.40028 6.76692
244 1CKM GTP 0.005637 0.40026 6.76692
245 1O5I NAD 0.01301 0.40042 6.82731
246 4P9Z NMI PTR 02K ASN NH2 0.004677 0.40855 6.83761
247 4AF5 CIT 0.01043 0.40477 6.84211
248 2XRH NIO 0.002486 0.43881 7
249 3TFC PEP 0.0008316 0.43892 7.01299
250 1QD0 RR6 0.001119 0.41699 7.03125
251 4NTD FAD 0.0008227 0.45197 7.05882
252 2GAG FAD 0.0399 0.40401 7.07071
253 3WCS MAN NAG 0.0002083 0.46324 7.08661
254 3WCS MAN NAG GAL 0.0005256 0.43464 7.08661
255 3MAG 3MA 0.003544 0.45617 7.14286
256 2IZ1 ATR 0.0008423 0.45233 7.14286
257 1TH8 ADP 0.0005408 0.43417 7.14286
258 1TDF NAP 0.01041 0.42949 7.14286
259 1TDF FAD 0.005783 0.42559 7.14286
260 1IYE PGU 0.002448 0.42454 7.14286
261 3IOI 1GW 0.009 0.40371 7.14286
262 2DFV NAD 0.01882 0.40335 7.14286
263 2X2T GAL NGA 0.01736 0.41321 7.18954
264 1NF8 ISC 0.002052 0.40732 7.24638
265 3CBG 4FE 0.003938 0.45382 7.32759
266 3KJQ B94 0.002716 0.40284 7.36842
267 2O66 FLC 0.000001268 0.56347 7.40741
268 1I7M CG 0.01421 0.40275 7.46269
269 2Q3M MLA 0.001512 0.46532 7.5188
270 1XHL NDP 0.002298 0.42693 7.5188
271 3SHR CMP 0.0009967 0.42411 7.5188
272 2Q1A 2KT 0.006137 0.41482 7.5188
273 1WRA PC 0.0158 0.40244 7.5188
274 1P4V GLY 0.02031 0.40138 7.5188
275 1YOA FMN 0.01148 0.4388 7.54717
276 1TU3 GNP 0.002168 0.41928 7.59494
277 3F81 STT 0.0003723 0.49516 7.65027
278 1G8S MET 0.002089 0.43519 7.82609
279 1FIQ FAD 0.0006264 0.45172 7.89474
280 1B9I PXG 0.0007499 0.43327 7.89474
281 1RZM PEP 0.001266 0.43153 7.89474
282 1FIQ MTE 0.002755 0.4212 7.89474
283 1FIQ SAL 0.003476 0.4199 7.89474
284 2RCN GDP 0.001616 0.41616 7.89474
285 2QE0 NAP 0.02536 0.40985 7.89474
286 3PNL ADP 0.003577 0.40611 7.89474
287 1RY2 AMP 0.004921 0.40576 7.89474
288 4IVG ANP 0.004945 0.40253 7.89474
289 1SC3 MLI 0.003638 0.43859 7.95455
290 1Y7P RIP 0.002559 0.43135 8.07175
291 1NU4 MLA 0.03692 0.40361 8.24742
292 2C7G FAD 0.002704 0.44587 8.27068
293 2C7G ODP 0.002663 0.44537 8.27068
294 1YS4 NAP 0.002025 0.41532 8.27068
295 1OFH ADP 0.002839 0.41484 8.27068
296 3BS8 PMP 0.001412 0.40273 8.27068
297 1H16 PYR 0.02271 0.40105 8.27068
298 2OYS FMN 0.00459 0.40031 8.27068
299 2DTX BMA 0.004407 0.4238 8.33333
300 1V59 FAD 0.03062 0.40991 8.3682
301 1BTN I3P 0.01063 0.44848 8.49057
302 1SS4 GSH 0.000188 0.54214 8.49673
303 1SS4 CIT 0.01546 0.42833 8.49673
304 9LDT OXM 0.0004576 0.50179 8.64662
305 3A1I UNU 0.0005961 0.43257 8.64662
306 9LDB OXM 0.02106 0.41629 8.64662
307 3M6W SAM 0.0008248 0.40968 8.64662
308 1ULE GLA GAL NAG 0.003274 0.44075 8.66667
309 1AX2 NDG GAL 0.0006322 0.44374 8.78661
310 1DL7 NCH 0.009974 0.44209 8.92857
311 2CE7 ADP 0.0001441 0.44376 9.02256
312 1SSQ CYS 0.006738 0.42242 9.02256
313 4N02 FNR 0.02128 0.40595 9.02256
314 1ECM TSA 0.003916 0.40646 9.17431
315 2QHS OCA 0.03668 0.40376 9.2827
316 2E1A MSE 0.001776 0.41991 9.33333
317 1WTC ACP 0.001856 0.44454 9.3985
318 1E7S NAP 0.002263 0.4272 9.3985
319 4G1V FAD 0.03557 0.41504 9.3985
320 4JZ8 CIT 0.01993 0.40172 9.3985
321 4Q3F TLA 0.005244 0.40149 9.40171
322 4LO6 SIA GAL 0.02023 0.40043 9.47368
323 1JN2 SFP 0.008887 0.45154 9.70464
324 2XBP ATP 0.011 0.41364 9.73451
325 1T26 GBD 0.01534 0.43111 9.77444
326 1T26 NAI 0.01534 0.43111 9.77444
327 2P69 PLP 0.01964 0.40289 9.77444
328 3SJ0 DXC 0.01699 0.401 9.85915
329 1H8P PC 0.001335 0.46797 10.0917
330 3G08 FEE 0.03438 0.41176 10.101
331 3U4C NDP 0.0008493 0.43951 10.1504
332 2YIV NBN 0.008638 0.41434 10.1504
333 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.008811 0.41264 10.1504
334 1NP0 NGT 0.004513 0.42064 10.3448
335 2NCD ADP 0.00102 0.44177 10.5263
336 1NN5 ANP 0.007929 0.40338 10.6977
337 1NN5 2DT 0.007929 0.40338 10.6977
338 1YFZ IMP 0.005196 0.41211 10.7317
339 4A6F SEP 0.03431 0.40527 10.8333
340 4ME6 ADP 0.004351 0.41535 10.9023
341 2XDQ MGX 0.01804 0.41239 10.9023
342 2P1M IHP 0.004102 0.40877 11.25
343 2YVF NAD 0.02956 0.40515 11.2782
344 2YVF FAD 0.0286 0.40515 11.2782
345 1T0S BML 0.00484 0.43276 11.6279
346 3OV6 MK0 0.02444 0.40034 11.6541
347 2ALG DAO 0.001644 0.43308 11.9565
348 1KC7 PPR 0.001212 0.4529 12.0301
349 2F5Z FAD 0.01131 0.43021 12.0301
350 2BLE 5GP 0.008087 0.42793 12.0301
351 1SAZ ACP 0.02184 0.41759 12.0301
352 1YBH P22 0.001664 0.41567 12.406
353 3UH0 TSB 0.002866 0.41142 12.406
354 3I6B KDO 0.00186 0.42477 12.7778
355 1EJ0 SAM 0.01088 0.40222 12.7778
356 1AE1 NAP 0.02912 0.4 12.782
357 2V5E SCR 0.002828 0.46121 12.8713
358 2XI7 XI7 0.001098 0.4938 13.0435
359 4BAS GNP 0.0003383 0.44225 13.0653
360 2ZWS PLM 0.001917 0.48077 13.1579
361 1OIK AKG 0.0006839 0.45626 13.1579
362 2DKH FAD 0.002114 0.42964 13.1579
363 2CSN CKI 0.002902 0.41448 13.1579
364 2DKH 3HB 0.008326 0.41266 13.1579
365 2YD6 FLC 0.00123 0.51804 13.2075
366 2QCX PF1 0.004234 0.41585 13.308
367 2GJ3 FAD 0.009763 0.40049 13.3333
368 1NVU GTP 0.01519 0.41355 13.5338
369 1NW5 SAM 0.002215 0.41013 13.5338
370 1Q3P GLU ALA GLN THR ARG LEU 0.0008862 0.43173 13.7615
371 1PTR PRB 0.0001004 0.50172 14
372 4POO SAM 0.01454 0.40456 14
373 3IWD M2T 0.01029 0.40946 14.5161
374 3BY8 MLT 0.004902 0.42548 14.7887
375 4BMO FMN 0.001408 0.4264 15.126
376 3TKA SAM 0.006464 0.4163 15.4135
377 3TKA CTN 0.04741 0.40667 15.4135
378 2DWU DGL 0.002145 0.4167 16.1654
379 2WDQ TEO 0.03077 0.41549 16.5217
380 3NOJ PYR 0.007502 0.40277 16.8067
381 3O03 NAP 0.0009413 0.43468 17.6692
382 3UEC ALA ARG TPO LYS 0.009766 0.41192 18.4932
383 3DCM SAM 0.003286 0.40383 19.7917
384 2BNF UTP 0.004334 0.42945 19.917
385 4OYA 1VE 0.02466 0.42351 21.8045
386 3RF4 FUN 0.00138 0.43002 27.5862
387 1GS5 NLG 0.00919 0.42458 32.9457
388 2BOI MFU 0.0006988 0.44198 34.5133
389 4B7E OGA 0.003768 0.41797 41.1765
Pocket No.: 3; Query (leader) PDB : 3K56; Ligand: IS3; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3k56.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3K56; Ligand: IS3; Similar sites found: 12
This union binding pocket(no: 4) in the query (biounit: 3k56.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4XFR CIT 0.0121 0.41805 2.25564
2 5JKG 6LF 0.02209 0.40906 2.25564
3 5KJW 53C 0.01597 0.40364 3.7594
4 5J75 6GQ 0.006182 0.40948 3.78788
5 5J8O 6GZ 0.009183 0.40167 8.06452
6 5XDT MB3 0.01155 0.41973 8.27068
7 5A7Y SAH 0.01072 0.40439 9.02256
8 2JFZ DGL 0.04372 0.40957 10.1961
9 1UYY BGC BGC 0.0006488 0.4742 11.4504
10 5TVF CGQ 0.01211 0.40614 12.0301
11 5FUI APY 0.001699 0.40171 16.6667
12 4RT1 C2E 0.002487 0.41766 28.5714
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