Receptor
PDB id Resolution Class Description Source Keywords
2HFK 1.79 Å EC: 3.-.-.- PIKROMYCIN THIOESTERASE IN COMPLEX WITH PRODUCT 10- DEOXYMETHYNOLIDE STREPTOMYCES VENEZUELAE ALPHA/BETA HYDROLASE THIOESTERASE
Ref.: STRUCTURAL BASIS FOR MACROLACTONIZATION BY THE PIKROMYCIN THIOESTERASE NAT.CHEM.BIOL. V. 2 537 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:709;
B:706;
B:707;
B:708;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
E4H A:801;
B:802;
Valid;
Valid;
none;
none;
submit data
296.402 C17 H28 O4 CC[C@...
MG A:710;
Part of Protein;
none;
submit data
24.305 Mg [Mg+2...
SO4 A:701;
A:703;
B:702;
Invalid;
Invalid;
Invalid;
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
2HFK 1.79 Å EC: 3.-.-.- PIKROMYCIN THIOESTERASE IN COMPLEX WITH PRODUCT 10- DEOXYMETHYNOLIDE STREPTOMYCES VENEZUELAE ALPHA/BETA HYDROLASE THIOESTERASE
Ref.: STRUCTURAL BASIS FOR MACROLACTONIZATION BY THE PIKROMYCIN THIOESTERASE NAT.CHEM.BIOL. V. 2 537 2006
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 218 families.
1 2HFK - E4H C17 H28 O4 CC[C@@H]1[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 176 families.
1 2HFK - E4H C17 H28 O4 CC[C@@H]1[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 143 families.
1 2HFK - E4H C17 H28 O4 CC[C@@H]1[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: E4H; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 E4H 1 1
2 Z18 0.547945 0.634146
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2HFK; Ligand: E4H; Similar sites found: 691
This union binding pocket(no: 1) in the query (biounit: 2hfk.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.007302 0.43937 None
2 4CO3 ATP 0.01435 0.42121 None
3 2XBP ATP 0.02146 0.41701 None
4 2UZ2 BTN 0.003561 0.4156 None
5 1C1L GAL BGC 0.006131 0.41092 None
6 3TA2 AKG 0.01395 0.40886 None
7 3KMT SAH 0.0003459 0.40793 None
8 3RF4 FUN 0.003305 0.40411 None
9 1WNG SAH 0.004822 0.41624 0.754717
10 1SB8 UD2 0.005669 0.44825 1.25392
11 4EPM AMP 0.001968 0.43799 1.25392
12 1SB8 NAD 0.04014 0.40546 1.25392
13 1FBL HTA 0.005246 0.40171 1.25392
14 2G86 UMP 0.004832 0.44906 1.26582
15 1W2Y DUN 0.01718 0.41233 1.31004
16 3EM1 TYD 0.001315 0.44628 1.36986
17 1UWZ THU 0.002376 0.42278 1.47059
18 3K56 IS3 0.005728 0.40497 1.50376
19 3EE4 MYR 0.001667 0.4374 1.5674
20 3A2Q ACA ACA 0.002036 0.42773 1.5674
21 4IVG ANP 0.01881 0.42239 1.5674
22 1FP2 HMO 0.00383 0.41431 1.5674
23 4C2X NHW 0.03861 0.41386 1.5674
24 1B8U NAD 0.006387 0.41294 1.5674
25 1FP1 HCC 0.01775 0.40817 1.5674
26 2J0W ADP 0.00712 0.40536 1.5674
27 2IXB NAD 0.005309 0.42978 1.57658
28 2IXB A2G 0.008019 0.42978 1.57658
29 2HGZ PBF 0.00166 0.44284 1.63399
30 3CEV ARG 0.001989 0.4157 1.67224
31 3DX5 DHB 0.0004357 0.44474 1.74825
32 3TO7 COA 0.02922 0.40436 1.81159
33 1Q0H NDP 0.0001767 0.51449 1.88088
34 1Q0H FOM 0.000159 0.51449 1.88088
35 1Q3Q ANP 0.001983 0.47274 1.88088
36 1UOU CMU 0.0002644 0.45905 1.88088
37 4I71 AGV 0.001045 0.44181 1.88088
38 1CKN GTP 0.0005627 0.43732 1.88088
39 1I2B NAD 0.02153 0.42251 1.88088
40 1I2B USQ 0.02153 0.42251 1.88088
41 1I2B UPG 0.02153 0.42251 1.88088
42 1KOL NAD 0.01066 0.42214 1.88088
43 3LM9 ADP 0.001932 0.42162 1.88088
44 3C1O NAP 0.005841 0.41954 1.88088
45 4MRP GSH 0.01456 0.41492 1.88088
46 1ZGA HMK 0.003562 0.41095 1.88088
47 2EFJ 37T 0.002291 0.41032 1.88088
48 4KCT PYR 0.001736 0.40659 1.88088
49 4G1V FAD 0.01417 0.40592 1.88088
50 1CKM GTP 0.00185 0.40588 1.88088
51 2RCN GDP 0.005623 0.40051 1.88088
52 1TDF NAP 0.003564 0.46887 1.89873
53 1TDF FAD 0.00166 0.46871 1.89873
54 4WX0 HXD 0.005417 0.40816 1.90114
55 1MVN PCO 0.0137 0.43282 1.91388
56 1MVN FMN 0.01477 0.41781 1.91388
57 2VAR ANP 0.002897 0.42734 1.91693
58 2VAR KDF 0.002188 0.41945 1.91693
59 2AE2 NAP 0.0008586 0.47569 1.92308
60 2AE2 PTO 0.0008586 0.47569 1.92308
61 1JCM 137 0.001735 0.44825 1.9305
62 1SR7 MOF 0.04231 0.40372 1.9305
63 4LSJ LSJ 0.0002159 0.47458 1.93798
64 1UCN ADP 0.00187 0.42468 1.97368
65 3NJQ NJQ 0.01063 0.41131 2.07254
66 2BGM NAJ 0.03348 0.41473 2.15827
67 4M5P MLA 0.0002172 0.50612 2.19436
68 3PC3 P1T 0.0001335 0.48331 2.19436
69 1V9N NDP 0.0004294 0.47907 2.19436
70 3ZPG 5GP 0.0007195 0.46963 2.19436
71 2XVE FAD 0.003608 0.46339 2.19436
72 1E7S NAP 0.001788 0.45184 2.19436
73 4M5P 23W 0.001316 0.44823 2.19436
74 2ZX7 ZX7 0.002845 0.44099 2.19436
75 3TXO 07U 0.000761 0.44048 2.19436
76 3GJB AKG 0.0002168 0.43983 2.19436
77 3QV9 QV7 0.0007723 0.43537 2.19436
78 2BLE 5GP 0.01796 0.42893 2.19436
79 4KXV TDP DX5 0.009244 0.427 2.19436
80 1R89 CTP 0.002498 0.42189 2.19436
81 1REO FAD 0.01517 0.41824 2.19436
82 1XLI GLT 0.01183 0.41684 2.19436
83 1GEX PLP HSA 0.007336 0.41682 2.19436
84 4KQL 1SG 0.04988 0.40885 2.19436
85 4JRB PGT 0.005012 0.40499 2.19436
86 1P72 ADP 0.02415 0.40081 2.19436
87 3CQD ATP 0.01261 0.41991 2.26537
88 2P41 SAH 0.000579 0.45243 2.29508
89 3FXU TSU 0.003236 0.43048 2.29508
90 3SHR CMP 0.001136 0.40639 2.34114
91 2WUF KEM 0.0009436 0.45152 2.4055
92 3FSY SCA 0.0009527 0.46962 2.40964
93 3PJU C2E 0.001515 0.44779 2.40964
94 2PNZ UDP 0.001553 0.44573 2.40964
95 2E2R 2OH 0.005878 0.43147 2.45902
96 1IUP ALQ 0.00177 0.44931 2.48227
97 2BNE U5P 0.001603 0.45587 2.48963
98 2BNF UTP 0.004824 0.43972 2.48963
99 2GJ3 FAD 0.002432 0.44397 2.5
100 1FDJ 2FP 0.000148 0.4664 2.50784
101 4QDC ASD 0.0009111 0.45808 2.50784
102 4UAL 3FV 0.0003926 0.45709 2.50784
103 1MOQ GLP 0.0004797 0.4558 2.50784
104 1Z44 NPO 0.003687 0.45496 2.50784
105 2YPO PHE 0.001699 0.45008 2.50784
106 2YBQ UP2 0.003385 0.44444 2.50784
107 1M7Y PPG 0.002903 0.43993 2.50784
108 2YBQ SAH 0.001419 0.43837 2.50784
109 4RJK PYR 0.002672 0.43421 2.50784
110 2R42 FPS 0.002056 0.43167 2.50784
111 3B96 MYA 0.002417 0.42874 2.50784
112 1UBY DMA 0.002363 0.42507 2.50784
113 2CKM AA7 0.03396 0.41872 2.50784
114 1DJ9 KAM 0.007544 0.4148 2.50784
115 4CKL SM8 0.007334 0.41042 2.50784
116 1QW9 KHP 0.01073 0.40972 2.50784
117 2HEK GDP 0.00384 0.40712 2.50784
118 3B96 FAD 0.02998 0.4029 2.50784
119 1ZFJ IMP 0.04116 0.40185 2.50784
120 1Y42 TYR 0.003782 0.40182 2.50784
121 4BAS GNP 0.007439 0.41016 2.51256
122 4CS4 ANP 0.002432 0.452 2.55474
123 4CS4 AXZ 0.0045 0.44605 2.55474
124 3BL6 FMC 0.004405 0.41596 2.6087
125 2NX1 RP5 0.002698 0.43849 2.62172
126 2NX1 PEP 0.003953 0.43131 2.62172
127 4AF5 CIT 0.0008552 0.41168 2.63158
128 2ZI8 SDT 0.009782 0.41559 2.66667
129 1Y7P RIP 0.001094 0.40872 2.69058
130 5YAS FAC 0.004229 0.40545 2.72374
131 3PXP MYR 0.001059 0.4394 2.73973
132 3S7O LBV 0.00006883 0.51242 2.82132
133 2HXT EHM 0.00008447 0.4791 2.82132
134 3ZEI AWH 0.0007939 0.463 2.82132
135 1Z45 NAD 0.001702 0.45005 2.82132
136 1WVG CXY 0.001551 0.44059 2.82132
137 1SOW NAD 0.003672 0.43809 2.82132
138 4AMV F6R 0.001784 0.42786 2.82132
139 1I1Q TRP 0.001166 0.42486 2.82132
140 1Z45 UPG 0.004149 0.41704 2.82132
141 1Z45 GAL 0.001554 0.41691 2.82132
142 3W54 RNB 0.003034 0.41616 2.82132
143 1H2B NAJ 0.01308 0.4149 2.82132
144 1P4C FMN 0.04562 0.41302 2.82132
145 1WVG APR 0.01055 0.41004 2.82132
146 4MZ7 DGT 0.01511 0.40859 2.82132
147 2YFT DQR 0.005383 0.40827 2.82132
148 2XUM OGA 0.001086 0.40766 2.82132
149 1TOI HCI 0.01626 0.40595 2.82132
150 3DLS ADP 0.01593 0.40471 2.82132
151 4D1J DGJ 0.01407 0.40251 2.82132
152 4QED NAP 0.004556 0.43139 2.82258
153 1UZN NAP 0.0002203 0.4649 2.83401
154 1IM8 SAI 0.003222 0.42541 2.86885
155 1I7L ATP 0.001059 0.4494 2.91262
156 1F5F DHT 0.005353 0.41046 2.92683
157 4B4D FAD 0.0005579 0.45732 3.05344
158 4KS1 2H8 0.0263 0.41087 3.07692
159 2PUL ACP 0.0004414 0.45259 3.1348
160 2AMV BIN 0.005954 0.44567 3.1348
161 3FPZ AHZ 0.01457 0.44258 3.1348
162 2QA1 FAD 0.004085 0.43965 3.1348
163 2TPL HPP 0.003427 0.431 3.1348
164 4GYW UDP 0.006091 0.4284 3.1348
165 2BJK NAD 0.01643 0.42699 3.1348
166 3DAG FEG 0.005506 0.42217 3.1348
167 1ECC PCP 0.009488 0.409 3.1348
168 3DGB MUC 0.0005021 0.4089 3.1348
169 1T10 F6P 0.003723 0.40772 3.1348
170 4ARF IP8 GLY PRO ALA 0.007156 0.40322 3.1348
171 4A6D SAM 0.01162 0.40029 3.1348
172 1R0X ATP 0.01576 0.41131 3.14685
173 2Y7G AAE 0.00009085 0.41616 3.19149
174 4COQ SAN 0.003761 0.41361 3.23887
175 1H9G COA MYR 0.0008973 0.45757 3.29218
176 2C4I BTN 0.0004945 0.45058 3.32103
177 3IOI 1GW 0.01591 0.40999 3.3557
178 1SSQ CYS 0.01489 0.42436 3.37079
179 1KDK DHT 0.001471 0.44156 3.38983
180 4PO2 ASN ARG LEU LEU LEU THR GLY 0.0005265 0.46035 3.40426
181 1M5B BN1 0.0006949 0.49415 3.42205
182 4INB 1F6 0.0001316 0.48136 3.42466
183 2XDQ MGX 0.0009717 0.46342 3.44828
184 1P9B GDP 0.0004119 0.45624 3.44828
185 1TB4 PEJ 0.001456 0.453 3.44828
186 4OYA 1VE 0.0134 0.45187 3.44828
187 1DLJ NAI 0.005411 0.4476 3.44828
188 1X8X TYR 0.0007181 0.4361 3.44828
189 5T0A A3P 0.0008819 0.43395 3.44828
190 1P9B IMO 0.002997 0.4319 3.44828
191 1R6W 164 0.002277 0.42353 3.44828
192 2Q97 ATP 0.004134 0.42263 3.44828
193 1DLJ UGA 0.02678 0.4152 3.44828
194 4PLG OXM 0.02077 0.41012 3.44828
195 4PLG NAI 0.02077 0.41012 3.44828
196 3BLI ACO 0.008313 0.40982 3.44828
197 3B1F NAD 0.008679 0.40903 3.44828
198 1UKW FAD 0.02307 0.40806 3.44828
199 4BT5 23B 0.002567 0.41134 3.50195
200 2YC5 6BC 0.01362 0.41632 3.50877
201 4KYS VIB 0.005808 0.41648 3.51288
202 3EWK FAD 0.01757 0.40839 3.52423
203 4P6X HCY 0.02679 0.4007 3.52941
204 1G0N PHH 0.002725 0.45403 3.53357
205 1G0N NDP 0.006064 0.43525 3.53357
206 1AUX AGS 0.003723 0.41695 3.53698
207 3U1T MLI 0.00009198 0.43672 3.55987
208 2WCV FUC 0.0001351 0.46174 3.57143
209 1SQ5 PAU 0.003286 0.4042 3.57143
210 3WBF NAP 0.0005828 0.46883 3.60656
211 3WBF API 0.01173 0.417 3.60656
212 2F2G HMH 0.008078 0.40774 3.61991
213 1JUV NDP 0.006171 0.42152 3.62694
214 3Q3C NAD 0.02959 0.4146 3.67893
215 1EDO NAP 0.03447 0.42006 3.68852
216 2O66 FLC 0.002837 0.4125 3.7037
217 1Y7I SAL 0.001236 0.42079 3.73134
218 4KQI NIO 0.00002922 0.52871 3.76176
219 4KQI RBZ 0.00002922 0.52871 3.76176
220 3FC4 EDO 0.0007334 0.49053 3.76176
221 3F3E LEU 0.0008137 0.47329 3.76176
222 1LVL FAD 0.003413 0.45154 3.76176
223 2ZJ3 G6P 0.0006958 0.45126 3.76176
224 4MP8 NAD 0.002896 0.44859 3.76176
225 4MP8 MLI 0.002896 0.44859 3.76176
226 1WDA BAG 0.0001208 0.44813 3.76176
227 4W6Z 8ID 0.00324 0.44529 3.76176
228 3HPF GAE 0.00914 0.42406 3.76176
229 4LN7 1ZQ 0.002772 0.42222 3.76176
230 1T8U UAP SGN IDS SGN 0.01329 0.41987 3.76176
231 4DXJ 0M9 0.001941 0.41892 3.76176
232 4LCQ URQ 0.009743 0.41566 3.76176
233 1YS4 NAP 0.006299 0.41491 3.76176
234 4QVH COA 0.009427 0.41427 3.76176
235 2F2U M77 0.0006028 0.41408 3.76176
236 4DXJ IPE 0.004107 0.40328 3.76176
237 3IO3 ADP 0.009754 0.40164 3.76176
238 1T3D CYS 0.0004338 0.41458 3.80623
239 4O1M NAD 0.001179 0.45701 3.80952
240 2YGN PCF 0.008388 0.4185 3.84615
241 1OAA OAA 0.001869 0.46348 3.861
242 4JK3 NAD 0.005681 0.42587 3.861
243 3M0J OAF 0.00744 0.42334 3.90879
244 3PMD 11A 0.001124 0.42837 3.92157
245 4B8V NDG NAG NAG NAG 0.001079 0.45413 3.94737
246 4NM5 ADP 0.0007099 0.45488 3.97878
247 2DWU DGL 0.0004149 0.44254 3.98551
248 4W97 UCA 0.005669 0.42009 4
249 2XK9 XK9 0.000613 0.475 4.07523
250 1JQI FAD 0.001127 0.46577 4.07523
251 4DQ2 BTX 0.0007896 0.4631 4.07523
252 1KBI FMN 0.0007361 0.46127 4.07523
253 1KBI PYR 0.0007361 0.46127 4.07523
254 3GWT 066 0.001299 0.45657 4.07523
255 1R6D NAD 0.00435 0.45441 4.07523
256 1JIL 485 0.0007048 0.45103 4.07523
257 2C31 TZD 0.009658 0.44855 4.07523
258 2C31 ADP 0.009397 0.44855 4.07523
259 1KBJ FMN 0.001415 0.44746 4.07523
260 2RDT FMN 0.006396 0.44733 4.07523
261 4O8A FAD 0.002248 0.44614 4.07523
262 1TIW FAD 0.003712 0.44484 4.07523
263 1TIW TFB 0.003712 0.44484 4.07523
264 3HY3 10F 0.002589 0.43294 4.07523
265 1R6D DAU 0.01342 0.43076 4.07523
266 2H6T IVA VAL VAL STA ALA STA 0.002354 0.42514 4.07523
267 2NLI FMN 0.0175 0.42385 4.07523
268 2NLI LAC 0.0175 0.42385 4.07523
269 1JQI CAA 0.004647 0.42378 4.07523
270 3CKZ ZMR 0.01387 0.42188 4.07523
271 1BUC FAD 0.01075 0.42091 4.07523
272 4LHM AZZ 0.002157 0.41732 4.07523
273 3TKA CTN 0.01526 0.41216 4.07523
274 1O9U ADZ 0.01181 0.41172 4.07523
275 4USQ FAD 0.01987 0.40792 4.07523
276 1RM4 NDP 0.01667 0.40286 4.07523
277 2FOI JPA 0.001477 0.40006 4.08922
278 2Q1A 2KT 0.003248 0.41629 4.09556
279 3D3W NAP 0.006577 0.4257 4.09836
280 1PR9 NAP 0.01068 0.41881 4.09836
281 3O7B SAH 0.008394 0.40435 4.09836
282 1FS5 TLA 0.01957 0.4005 4.13534
283 1SAY PYR 0.03372 0.4373 4.15512
284 1Q6O LG6 0.0003471 0.45685 4.16667
285 3H86 AP5 0.00388 0.45129 4.16667
286 4I9A NCN 0.004134 0.43187 4.16667
287 2JL1 NAP 0.001892 0.43694 4.18118
288 1NN5 2DT 0.004387 0.4321 4.18605
289 1NN5 ANP 0.004387 0.4321 4.18605
290 1T0I FMN 0.0006528 0.45027 4.18848
291 4TMK T5A 0.01701 0.4087 4.22535
292 3BY8 MLT 0.007278 0.40766 4.22535
293 4IAE 1DX 0.0275 0.41429 4.2328
294 3MAG 3MA 0.01176 0.41961 4.23453
295 1LDM NAD 0.002543 0.472 4.25532
296 1V35 NAI 0.002421 0.45636 4.25532
297 3PNL ADP 0.003142 0.42766 4.2654
298 4BI7 PGA 0.002475 0.41196 4.28016
299 4NVP 7CH 0.00526 0.43476 4.30622
300 3ICC NAP 0.0005954 0.47283 4.31373
301 2Q2V NAD 0.001292 0.45937 4.31373
302 3MB5 SAM 0.004401 0.45177 4.31373
303 4LXH C1E 0.001911 0.42886 4.33213
304 2V6O FAD 0.02406 0.42983 4.36242
305 2P1M IHP 0.004432 0.42621 4.375
306 2P1O IHP 0.01172 0.41343 4.375
307 2P1O NLA 0.01172 0.41343 4.375
308 3MCT SAH 0.01004 0.40469 4.3771
309 3ER9 3AT 0.01845 0.40354 4.3771
310 1RYI GOA 0.002061 0.46154 4.38871
311 1ME8 RVP 0.006234 0.46058 4.38871
312 4KCF AKM 0.0008213 0.45407 4.38871
313 3OND NAD 0.004387 0.45015 4.38871
314 3OND ADN 0.004387 0.45015 4.38871
315 3NKS ACJ 0.0007616 0.44293 4.38871
316 1RYI FAD 0.005601 0.43981 4.38871
317 1ZK7 FAD 0.007661 0.43726 4.38871
318 4IOK XPO 0.00241 0.43426 4.38871
319 4KCF FMN 0.00776 0.42939 4.38871
320 3NKS FAD 0.007951 0.42891 4.38871
321 2CE7 ADP 0.00153 0.42821 4.38871
322 2VJJ RAM GLC GAL NAG NAG GLC 0.02088 0.4199 4.38871
323 1MDZ DCS 0.01076 0.41867 4.38871
324 1MDZ PLP 0.01043 0.41809 4.38871
325 3UR0 SVR 0.02184 0.41543 4.38871
326 3CQ5 PMP 0.001045 0.41158 4.38871
327 1DSS NAD 0.01092 0.40939 4.38871
328 3LZW FAD 0.02573 0.40687 4.38871
329 3G4G D71 0.01891 0.40676 4.38871
330 2NVK NAP 0.003626 0.40254 4.38871
331 2EWM NAD 0.004149 0.43448 4.41767
332 4C0X AQN 0.01073 0.41636 4.4335
333 4C0X FMN 0.01332 0.40708 4.4335
334 2F59 INI 0.0003286 0.4626 4.4586
335 4AIG FLX 0.0003618 0.44795 4.47761
336 1C3V NDP 0.01474 0.41027 4.4898
337 2JAR UMP 0.001701 0.43307 4.5
338 1HDR NAD 0.003503 0.45553 4.5082
339 2OYS FMN 0.0008213 0.45028 4.54545
340 3CL7 HYN 0.004907 0.42277 4.54545
341 2OD9 A1R NCA 0.01251 0.4122 4.54545
342 2O5L MNR 0.003038 0.44302 4.57516
343 3ZF8 GDP 0.003738 0.40758 4.59016
344 1X1T NAD 0.02688 0.42641 4.61538
345 3QQA TCH 0.004403 0.42148 4.62963
346 2QLX RM4 0.007499 0.40709 4.62963
347 2PWY SAH 0.002225 0.43573 4.65116
348 1R37 NAD 0.008003 0.42552 4.70219
349 1VDC FAD 0.01643 0.42359 4.70219
350 1UMP SQA 0.006577 0.41886 4.70219
351 1R37 ETX 0.0008029 0.4141 4.70219
352 1N6B DMZ 0.01789 0.41306 4.70219
353 2BO4 FLC 0.000474 0.41128 4.70219
354 3CXO 1N5 0.01488 0.4101 4.70219
355 4NTD FAD 0.0006609 0.47853 4.70588
356 3ZOD HQE 0.005065 0.42521 4.71204
357 3ZOD FMN 0.005065 0.42521 4.71204
358 1BTN I3P 0.0006121 0.50052 4.71698
359 1V2G OCA 0.001905 0.42187 4.73684
360 1JA9 NDP 0.03857 0.41767 4.74453
361 1JA9 PYQ 0.01017 0.41485 4.74453
362 1M1B SPV 0.0004854 0.42819 4.74576
363 2C1Q BTN 0.01363 0.42035 4.7619
364 1Y52 BTN 0.01548 0.41971 4.7619
365 2FP2 TSA 0.00903 0.42316 4.81928
366 2QDT I38 0.004749 0.41049 4.83271
367 1R18 SAH 0.004013 0.42318 4.84582
368 1EXB NDP 0.01928 0.43344 4.85437
369 1VR0 3SL 0.002884 0.40934 4.8583
370 3RFV NAI 0.0004055 0.47407 4.86891
371 2GDZ NAD 0.0008846 0.46245 4.86891
372 3RFV 15L 0.01009 0.4123 4.86891
373 3VPD ANP 0.0001622 0.47977 4.98221
374 4NAT 2W5 0.000819 0.47316 5
375 4NAT ADP 0.008749 0.45445 5
376 2GSD NAD 0.0001835 0.49958 5.01567
377 2J07 HDF 0.005473 0.44655 5.01567
378 2J07 FAD 0.005473 0.44655 5.01567
379 1NZY BCA 0.001776 0.44635 5.01567
380 4G87 UD1 0.005445 0.44452 5.01567
381 4EPL JAI 0.0007571 0.44304 5.01567
382 1X54 4AD 0.001843 0.44091 5.01567
383 2H8Z 8CM 0.005811 0.42544 5.01567
384 2H8Z FMN 0.005811 0.42544 5.01567
385 4QN7 G39 0.01048 0.42141 5.01567
386 1LCP PLU 0.006574 0.41887 5.01567
387 2D0V PQQ 0.005643 0.41339 5.01567
388 3GTD MLI 0.003004 0.41149 5.01567
389 1HEX NAD 0.01251 0.40962 5.01567
390 8CAT NDP 0.01283 0.40019 5.01567
391 2VHW NAI 0.03246 0.41521 5.03979
392 3S0E EOL 0.01936 0.40046 5.04202
393 1ZZ7 S0H 0.002539 0.40858 5.05051
394 4FR3 0V4 0.02684 0.4259 5.12821
395 4FR3 LYS ARG ARG LYS SEP VAL 0.03923 0.41785 5.12821
396 1V2X SAM 0.009083 0.40476 5.15464
397 1F3F D4D 0.01027 0.42287 5.16129
398 1F3F D4T 0.04019 0.41029 5.16129
399 1QY1 PRZ 0.002392 0.43083 5.17241
400 3DCM SAM 0.003182 0.42377 5.20833
401 1G8S MET 0.006681 0.40311 5.21739
402 2WGC SIA GAL BGC 0.03325 0.40456 5.26316
403 2PT9 2MH 0.00857 0.42419 5.29595
404 2PT9 S4M 0.004939 0.42419 5.29595
405 2XCG XCG 0.0002826 0.48405 5.32915
406 3ZLM ANP 0.0004342 0.45759 5.32915
407 1C0I FAD 0.003815 0.45118 5.32915
408 1C0I BE2 0.003815 0.45118 5.32915
409 4C0C WVH 0.004343 0.44769 5.32915
410 3BW2 FMN 0.00273 0.4411 5.32915
411 2YVF FAD 0.01262 0.43688 5.32915
412 2YVF NAD 0.01302 0.43688 5.32915
413 2R14 FMN 0.002763 0.43655 5.32915
414 2R14 TXD 0.003721 0.43655 5.32915
415 3T1A 5MA 0.001634 0.43379 5.32915
416 3DJL FAD 0.02225 0.43355 5.32915
417 2C7G FAD 0.01353 0.43274 5.32915
418 2C7G ODP 0.01307 0.43274 5.32915
419 4HA6 FAD 0.008855 0.4326 5.32915
420 4OE4 NAD 0.007495 0.42258 5.32915
421 2DKH 3HB 0.0169 0.41611 5.32915
422 4G09 0VD 0.003957 0.41373 5.32915
423 1NW5 SAM 0.01149 0.4005 5.32915
424 1P9P SAH 0.008376 0.40968 5.36398
425 4G28 0W8 0.001526 0.42025 5.36913
426 2XD9 XD9 0.03477 0.44082 5.38922
427 2ALG HP6 0.0002268 0.47368 5.43478
428 2ALG DAO 0.0002268 0.47368 5.43478
429 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.009314 0.43624 5.44872
430 2Y7P SAL 0.0001631 0.4551 5.50459
431 1ECM TSA 0.0005963 0.42245 5.50459
432 2NW9 FT6 0.002543 0.40187 5.55556
433 3QDY CBS 0.004211 0.41807 5.59441
434 3QDW NDG 0.000773 0.40374 5.59441
435 3QDX CBS 0.0009013 0.40143 5.59441
436 3QDV NDG 0.0008221 0.40107 5.59441
437 1OTH PAO 0.002999 0.44195 5.64263
438 1QF5 RPL 0.01279 0.42864 5.64263
439 1QF5 GDP 0.01279 0.42864 5.64263
440 3HF3 FMN 0.004623 0.42058 5.64263
441 1PEA ACM 0.01089 0.40636 5.64263
442 4N7C AEF 0.002163 0.43072 5.68182
443 3QVL 5HY 0.006256 0.43763 5.71429
444 1FMB HYB 0.002558 0.41673 5.76923
445 2F3R G5P 0.02274 0.41702 5.7971
446 1GS5 ANP 0.003044 0.44293 5.81395
447 1GS5 NLG 0.003044 0.44293 5.81395
448 2X61 NGA GAL SIA 0.03898 0.41158 5.81395
449 1N46 PFA 0.02775 0.40741 5.81395
450 2X61 CH 0.03024 0.4046 5.81395
451 3PNA CMP 0.0003912 0.44354 5.84416
452 3NCQ ATP 0.0001499 0.48121 5.88235
453 3IU9 T07 0.009125 0.44221 5.90278
454 3KO0 TFP 0.01128 0.41526 5.94059
455 4JP3 CIT 0.0002676 0.45609 5.95611
456 3T31 FAD 0.005357 0.45094 5.95611
457 3T31 DCQ 0.01522 0.43101 5.95611
458 2GWD GLU 0.002492 0.41184 5.95611
459 3PFG TLO 0.02525 0.40909 5.95611
460 3PFG SAM 0.02525 0.40909 5.95611
461 4C2G ALA ALA ALA ALA 0.004307 0.40246 5.95611
462 1L2T ATP 0.001052 0.44952 5.95745
463 1POC GEL 0.00473 0.41267 5.97015
464 2F7C CCU 0.0009018 0.41858 6.00858
465 1I9G SAM 0.009922 0.43208 6.07143
466 4HGP KDO 0.02943 0.4013 6.11111
467 4JEJ 1GP 0.001273 0.4289 6.14754
468 1VQ2 DDN 0.002633 0.42314 6.21762
469 3GE7 AFQ 0.0002633 0.48985 6.26959
470 2OI2 DP6 0.0001104 0.47152 6.26959
471 4N02 FNR 0.003761 0.45657 6.26959
472 2WQP WQP 0.001316 0.45042 6.26959
473 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.003541 0.44786 6.26959
474 1YBH FAD 0.005423 0.43847 6.26959
475 2Z9V PXM 0.0006419 0.43189 6.26959
476 3MPI FAD 0.008504 0.42546 6.26959
477 1RKD ADP 0.007628 0.4241 6.26959
478 1RKD RIB 0.007628 0.4241 6.26959
479 2IMP LAC 0.003176 0.4238 6.26959
480 3MPI GRA 0.023 0.42047 6.26959
481 2IMP NAI 0.04563 0.41814 6.26959
482 1XMV ADP 0.02645 0.41619 6.26959
483 1YBH P22 0.002365 0.4155 6.26959
484 1H6C NDP 0.01942 0.41145 6.26959
485 1H6C SIN 0.02451 0.40876 6.26959
486 1RYD NDP 0.02308 0.40806 6.26959
487 1WL4 COA 0.03757 0.40369 6.26959
488 3GM5 CIT 0.0008785 0.41507 6.28931
489 1KYV RBF 0.004556 0.41334 6.28931
490 2OCI TYC 0.008182 0.41132 6.29921
491 1DR1 NAP 0.03393 0.40046 6.34921
492 1DR1 HBI 0.03393 0.40046 6.34921
493 1WUR 8DG 0.0156 0.41613 6.36364
494 2HJ3 FAD 0.0004132 0.46277 6.4
495 2F5T MAL 0.000533 0.45391 6.43777
496 1IYE PGU 0.008398 0.42103 6.47249
497 3GEG NAD 0.006004 0.42345 6.47773
498 3KYF 5GP 5GP 0.003803 0.40728 6.49351
499 3VKX T3 0.003543 0.42276 6.51341
500 3FC2 IBI 0.001443 0.45318 6.56716
501 3BAZ NAP 0.0003616 0.47282 6.58307
502 2Q1S NAI 0.002796 0.45549 6.58307
503 4AT0 FAD 0.004076 0.45162 6.58307
504 2I4O ATP 0.0008511 0.43317 6.58307
505 2OBD 2OB 0.02487 0.42055 6.58307
506 3W2W ATP 0.002305 0.41855 6.58307
507 4Q3R XA2 0.008275 0.41458 6.58307
508 2YHW BM3 0.01182 0.41327 6.58307
509 2FFC U5P 0.005506 0.41194 6.58307
510 1UAY ADN 0.001554 0.42792 6.61157
511 2YCJ C2F 0.002396 0.42031 6.64207
512 3HZS M0E 0.04153 0.40001 6.69856
513 2OZE AGS 0.00261 0.42537 6.71141
514 3S9K CIT 0.001804 0.47947 6.77966
515 3B20 NAD 0.004798 0.42474 6.78466
516 1OMZ UD2 0.01744 0.41909 6.82594
517 3OIG NAD 0.003338 0.46356 6.89655
518 4R33 TRP 0.001717 0.45391 6.89655
519 4R33 SAH 0.001717 0.45391 6.89655
520 2J8Z NAP 0.002645 0.4403 6.89655
521 2WE5 ADP 0.001308 0.43096 6.89655
522 1TH8 ADP 0.00109 0.42889 6.89655
523 3UXL CFI 0.0162 0.4188 6.89655
524 2R85 AMP 0.02192 0.41658 6.89655
525 3SSO SAH 0.00542 0.41593 6.89655
526 2YB9 HA0 0.01377 0.41037 6.89655
527 4E13 NAD 0.01044 0.40397 6.89655
528 3NYQ MCA 0.02235 0.40344 6.89655
529 4F2Q QUS 0.003899 0.41175 6.97674
530 1TUV VK3 0.005596 0.42722 7.01754
531 4CCO OGA 0.002493 0.40889 7.06638
532 3H22 B53 0.00254 0.41427 7.07071
533 3WCS MAN NAG GAL 0.0009298 0.43164 7.08661
534 3WCS MAN NAG 0.004109 0.40041 7.08661
535 1O6B ADP 0.0009023 0.47893 7.10059
536 1UXG NAD 0.0001831 0.50356 7.11974
537 1UXG FUM 0.0001831 0.50356 7.11974
538 1I0Z OXM 0.007492 0.42117 7.20721
539 1LYX PGA 0.0002484 0.46015 7.21003
540 3WE0 FAD 0.00463 0.44549 7.21003
541 4ME6 ADP 0.001655 0.40998 7.21003
542 3MMR ABH 0.04279 0.40834 7.21003
543 4AF0 IMP 0.04802 0.40179 7.21003
544 3JRS A8S 0.007847 0.42989 7.21154
545 2QIA U20 0.03179 0.41347 7.25191
546 4C1K PEP 0.003829 0.40161 7.25191
547 3R35 4CO 0.004873 0.43141 7.28477
548 1JYQ MAZ PTR PTM ASN 0.03447 0.41004 7.29167
549 1HFS L04 0.003372 0.43972 7.5
550 4OJ8 2TQ 0.00686 0.41334 7.50853
551 4OJ8 AKG 0.01107 0.40117 7.50853
552 1U7Z PMT 0.001435 0.45736 7.52212
553 3Q9T FAY 0.00184 0.45854 7.52351
554 3TFC PEP 0.0008513 0.42711 7.52351
555 2DDH FAD 0.01091 0.4184 7.52351
556 1C7R PA5 0.00257 0.41406 7.52351
557 4LIT AKG 0.001395 0.41144 7.52351
558 3UEC ALA ARG TPO LYS 0.01062 0.40046 7.53425
559 3O03 NAP 0.01484 0.43153 7.56014
560 1GSA ADP 0.009954 0.43369 7.59494
561 1GSA GSH 0.02611 0.40931 7.59494
562 3CKJ CIT 0.01669 0.40284 7.59878
563 2B4Q NAP 0.003002 0.4393 7.6087
564 3JQM GTP 0.003627 0.40541 7.64331
565 4U9W COA 0.001292 0.43585 7.83699
566 9LDT NAD 0.004578 0.4326 7.83699
567 3UH0 TSB 0.004113 0.42442 7.83699
568 1GAD NAD 0.01716 0.40231 7.83699
569 9LDB NAD 0.02453 0.40051 7.83699
570 2V5E SCR 0.0009608 0.47394 7.92079
571 3OZG SSI 0.005083 0.40929 8
572 1QPB TPP 0.002933 0.43544 8.15047
573 1QPB PYM 0.003633 0.43144 8.15047
574 4LTN FMN 0.02104 0.41534 8.15047
575 3QO8 SSA 0.007521 0.40233 8.15047
576 2BTO GTP 0.02144 0.41047 8.33333
577 2ZE3 AKG 0.001839 0.40763 8.36364
578 1GV0 NAD 0.005693 0.42716 8.3871
579 1EP2 ORO 0.0007016 0.4724 8.42912
580 1EP2 FMN 0.0005645 0.46786 8.42912
581 1EP2 FAD 0.008707 0.41058 8.42912
582 4MWV BCZ 0.009545 0.42535 8.46395
583 1RZM PEP 0.001331 0.41953 8.46395
584 4HZO COA 0.001217 0.42104 8.49057
585 3UIE ADX 0.001973 0.42373 8.5
586 4GCZ FMN 0.01424 0.41306 8.57143
587 2YLD CMO 0.0004515 0.45229 8.66142
588 2CSN CKI 0.002941 0.43384 8.75421
589 3ZRR PXG 0.001117 0.44271 8.77743
590 3V1V GST 0.00123 0.43673 8.77743
591 3K37 BCZ 0.03454 0.42315 8.77743
592 1F1V DHY 0.0007642 0.4199 8.77743
593 2AEB ABH 0.02475 0.40311 8.77743
594 1AUA BOG 0.0002993 0.44482 8.78378
595 3SVL FMN 0.004812 0.41237 8.80829
596 2WR8 SAH 0.0243 0.40504 8.88031
597 2W3L DRO 0.0001099 0.50844 9.02778
598 4GQB 0XU 0.008632 0.43972 9.09091
599 2QF7 COA 0.007532 0.40015 9.09091
600 1FIQ FAD 0.000368 0.48481 9.13242
601 1FIQ MTE 0.002401 0.44353 9.13242
602 1FIQ SAL 0.007886 0.42346 9.13242
603 1T57 FMN 0.009032 0.40829 9.2233
604 3ZZS TRP 0.0005336 0.47898 9.23077
605 1UJ5 5RP 0.00486 0.40552 9.2511
606 1O7N IND 0.004631 0.42055 9.27835
607 3V1U NAD 0.00294 0.43385 9.40439
608 2J5S KTA 0.002334 0.42738 9.40439
609 1J5P NAD 0.001053 0.45615 9.48617
610 1OIK C26 0.003656 0.41514 9.63455
611 2OWZ F6P 0.00214 0.42684 9.71787
612 1PFK ADP 0.005719 0.4072 9.71787
613 2Q8M FBP 0.005873 0.40672 9.71787
614 2Q8M AMP 0.00543 0.40359 9.71787
615 1MZV AMP 0.001084 0.40385 9.78723
616 3RKR NAP 0.001204 0.42718 9.92366
617 2H6B 3C4 0.01162 0.43514 10
618 1MQ0 BRD 0.003973 0.41141 10
619 3WO0 ALA 0.0006894 0.47529 10.0313
620 3WO0 ADP 0.0006894 0.47529 10.0313
621 2PTZ PAH 0.001392 0.43226 10.0313
622 1X92 M7P 0.002338 0.4183 10.0313
623 1XHL NDP 0.01311 0.41372 10.101
624 1QB7 ADE 0.001735 0.42085 10.1695
625 3TCT 3MI 0.00559 0.44854 10.2362
626 3U4C NDP 0.002029 0.4453 10.3203
627 1D6H COA 0.002962 0.45435 10.3448
628 1SS4 GSH 0.002055 0.47362 10.4575
629 1BGQ RDC 0.0004664 0.4698 10.6583
630 4NE2 SH2 0.002844 0.44666 10.6583
631 4NE2 ADP 0.002506 0.44666 10.6583
632 2HGS GSH 0.001617 0.42723 10.6583
633 1LTH NAD 0.04592 0.4094 10.6583
634 1OGD RIP 0.0002289 0.44936 10.687
635 2V7T SAH 0.003576 0.47662 10.7023
636 1GJW GLC 0.004193 0.41815 10.9718
637 1I36 NAP 0.01352 0.40245 10.9848
638 1Q3P GLU ALA GLN THR ARG LEU 0.004391 0.40213 11.0092
639 1KGI T4A 0.01375 0.42053 11.0236
640 1YGC 905 0.002956 0.4251 11.1111
641 1ULE GLA GAL NAG 0.004148 0.42551 11.3333
642 3MBG FAD 0.004105 0.42764 11.5108
643 1SNY NAP 0.002565 0.43794 11.6105
644 2FWP ICR 0.005254 0.43479 12.0219
645 3TN7 NJP 0.003327 0.43868 12.0623
646 2NT8 ATP 0.01247 0.41099 12.1076
647 2W1A TSA 0.002505 0.4145 12.2222
648 1TU3 GNP 0.001186 0.45074 12.2807
649 2D37 NAD 0.002013 0.44399 12.5
650 2D37 FMN 0.001856 0.44399 12.5
651 3DDC GNP 0.01162 0.40824 12.6506
652 3U5S FAD 0.003686 0.42296 12.6984
653 1EZV SMA 0.0006649 0.46317 12.7273
654 2VBQ BSJ 0.00141 0.45898 12.7273
655 1EZV UQ6 0.007059 0.41282 12.7273
656 3O55 FAD 0.003011 0.43341 12.8
657 1R27 MGD 0.00121 0.46438 12.8527
658 3G08 FEE 0.04342 0.42033 13.1313
659 1LC8 33P 0.0001612 0.48964 13.4796
660 3IBH GSH 0.00281 0.42601 13.7339
661 3I28 34N 0.003148 0.45592 14.1066
662 4NES UDP 0.0007669 0.44515 14.1066
663 4NES UD1 0.001175 0.43972 14.1066
664 1UJ2 C5P 0.006508 0.41906 14.2857
665 1UJ2 ADP 0.006773 0.41831 14.2857
666 1ATL 0QI 0.01485 0.41724 14.3564
667 1YAG ATP 0.005291 0.41978 14.4
668 1ITZ TPP 0.005253 0.41991 14.4201
669 1OLS TDP 0.008479 0.43436 14.7335
670 1ZK4 AC0 0.009166 0.45241 14.741
671 1ZK4 NAP 0.009166 0.45241 14.741
672 4A3R CIT 0.0004277 0.48325 15.047
673 2DTX BMA 0.0007794 0.47646 15.1515
674 3RO7 TDR 0.003126 0.43572 15.4717
675 1DUC DUD 0.005835 0.41369 15.6716
676 1NF8 ISC 0.004714 0.40606 15.942
677 3QP8 HL0 0.023 0.40059 16.3043
678 3ULK NDP 0.001614 0.43986 17.2414
679 3BHO B4P 0.002488 0.45333 17.3077
680 4AQL TXC 0.002752 0.42235 17.5549
681 1L1Q 9DA 0.006277 0.41146 18.2796
682 3N5O GSH 0.0009893 0.4428 18.2979
683 1G2N EPH 0.03221 0.40119 18.5606
684 1T0S BML 0.001035 0.45297 18.6047
685 2R40 EPH 0.0004707 0.47514 18.6312
686 1ZUW DGL 0.0004851 0.43986 19.1176
687 4LFL TG6 0.001239 0.42668 20.3704
688 3AHC TPP 0.007863 0.42103 20.3762
689 4BCS BTN 0.00261 0.42111 21.6
690 4G4S LDZ 0.001007 0.4403 22.449
691 1YOE RIB 0.001772 0.41768 24.7649
Pocket No.: 2; Query (leader) PDB : 2HFK; Ligand: E4H; 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: 2hfk.bio2) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2HFK; Ligand: E4H; Similar sites found: 33
This union binding pocket(no: 3) in the query (biounit: 2hfk.bio1) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5B4B LP5 0.02434 0.41553 2.01613
2 5KMS FAD 0.04844 0.40467 2.19436
3 5UR1 YY9 0.02324 0.4166 2.2508
4 1UWK NAD 0.03421 0.42182 2.82132
5 4R74 F6P 0.009706 0.41965 2.82132
6 5W4W 9WG 0.04647 0.40038 2.82132
7 4BKJ STI 0.02453 0.41535 2.85714
8 4CL6 7SB 0.02004 0.40888 3.50877
9 3RGA ILD 0.02543 0.40658 3.53357
10 5FLJ QUE 0.03078 0.40074 3.76344
11 4Q0L V14 0.02857 0.40674 3.80228
12 4XB4 45D 0.01584 0.42552 3.94737
13 5SVV FMN 0.02722 0.40034 4.37956
14 1ZDT PEF 0.02553 0.41066 4.56432
15 4TWP AXI 0.02551 0.42649 4.79705
16 4OMJ 2TX 0.01302 0.43246 5.03597
17 5DB3 58Q 0.02281 0.40754 5.32915
18 5JNN 6LM 0.01627 0.41672 5.78947
19 5A1S FLC 0.005432 0.40874 5.95611
20 4RGQ NDP 0.03885 0.40342 5.95611
21 4ZOM 4Q3 0.04131 0.40078 6.22222
22 5B25 4QJ 0.01364 0.42072 6.26959
23 4X6F 3XU 0.03348 0.41638 6.66667
24 4RW3 TDA 0.01713 0.42317 6.95364
25 5L2J 70E 0.04932 0.42391 7.14286
26 5L2J 6UL 0.04716 0.42391 7.14286
27 2LBD REA 0.03014 0.40413 8.2397
28 5G3N X28 0.01606 0.41386 8.66142
29 5CSD ACD 0.01242 0.44003 10.0629
30 4ZBR DIF 0.03924 0.4066 12.2257
31 4ZBR NPS 0.03745 0.4066 12.2257
32 5DKK FMN 0.01264 0.4157 18.6207
33 5DJT FMN 0.007731 0.4266 22.7586
Pocket No.: 4; Query (leader) PDB : 2HFK; Ligand: E4H; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 2hfk.bio1) has 13 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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