Receptor
PDB id Resolution Class Description Source Keywords
4N7C 1.75 Å NON-ENZYME: OTHER STRUCTURAL RE-EXAMINATION OF NATIVE BLA G 4 BLATTELLA GERMANICA ALLERGEN BETA BARREL GLYCOPROTEIN SECRETED PROTEIN BINDI
Ref.: THE MAJOR COCKROACH ALLERGEN BLA G 4 BINDS TYRAMINE OCTOPAMINE. MOL.IMMUNOL. V. 60 86 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AEF A:202;
Valid;
none;
Ka = 22200000 M^-1
137.179 C8 H11 N O c1cc(...
CIT A:201;
Invalid;
none;
submit data
192.124 C6 H8 O7 C(C(=...
GOL A:204;
A:203;
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
4N7C 1.75 Å NON-ENZYME: OTHER STRUCTURAL RE-EXAMINATION OF NATIVE BLA G 4 BLATTELLA GERMANICA ALLERGEN BETA BARREL GLYCOPROTEIN SECRETED PROTEIN BINDI
Ref.: THE MAJOR COCKROACH ALLERGEN BLA G 4 BINDS TYRAMINE OCTOPAMINE. MOL.IMMUNOL. V. 60 86 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1256 families.
1 4N7C Ka = 22200000 M^-1 AEF C8 H11 N O c1cc(ccc1C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1068 families.
1 4N7C Ka = 22200000 M^-1 AEF C8 H11 N O c1cc(ccc1C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 4N7C Ka = 22200000 M^-1 AEF C8 H11 N O c1cc(ccc1C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: AEF; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 AEF 1 1
2 YRL 0.571429 0.653846
3 AEG 0.424242 0.730769
4 LDP 0.4 0.793103
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4N7C; Ligand: AEF; Similar sites found: 648
This union binding pocket(no: 1) in the query (biounit: 4n7c.bio2) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1NN5 ANP 0.0007625 0.48679 None
2 1NN5 2DT 0.0007625 0.48679 None
3 1X92 M7P 0.0007125 0.46069 None
4 4KQI NIO 0.003893 0.45392 None
5 4KQI RBZ 0.003893 0.45392 None
6 3S7O LBV 0.005604 0.44624 None
7 1QJC PNS 0.0178 0.4405 None
8 1MVN PCO 0.02014 0.4398 None
9 1LTH NAD 0.02205 0.43938 None
10 5RHN 8BR 0.002976 0.43756 None
11 2VQ5 HBA 0.0008709 0.43706 None
12 3HU3 AGS 0.02695 0.43605 None
13 1NF8 ISC 0.002817 0.43393 None
14 3N5O GSH 0.004477 0.43361 None
15 1H8G CHT 0.006192 0.43339 None
16 1F3F D4D 0.01487 0.43116 None
17 1F3F D4T 0.02904 0.43116 None
18 4EKV BTN 0.01995 0.42166 None
19 4TSK NDP 0.04619 0.42121 None
20 3L2B B4P 0.03103 0.41404 None
21 3ZZS TRP 0.0386 0.40951 None
22 1UO5 PIH 0.02226 0.40486 None
23 2GJ3 FAD 0.03989 0.40403 None
24 1J5P NAD 0.0347 0.40403 None
25 3U4C NDP 0.03874 0.40291 None
26 1D6H COA 0.002031 0.48138 1.13636
27 1OAA OAA 0.004064 0.46622 1.13636
28 1X1T NAD 0.02515 0.44225 1.13636
29 1A8R GTP 0.01064 0.41808 1.13636
30 4M5P MLA 0.00876 0.41649 1.13636
31 2VBQ BSJ 0.001596 0.47662 1.21212
32 3FC2 IBI 0.01335 0.42668 1.49254
33 2P8O BVA 0.01413 0.40869 1.52672
34 2HJ3 FAD 0.02451 0.4028 1.6
35 3O7B SAH 0.001112 0.46148 1.70455
36 1C0I BE2 0.006156 0.45893 1.70455
37 1C0I FAD 0.006156 0.45893 1.70455
38 2YBQ UP2 0.005646 0.45198 1.70455
39 3JDW ORN 0.003593 0.43383 1.70455
40 3M0J OAF 0.01434 0.42639 1.70455
41 2YBQ SAH 0.007081 0.42629 1.70455
42 3S2Y FMN 0.009641 0.4143 1.70455
43 2F5T MAL 0.01284 0.41248 1.70455
44 8CAT NDP 0.01942 0.40756 1.70455
45 4R3L COA 0.0008698 0.46303 1.7341
46 6FIV 3TL 0.009496 0.41248 1.76991
47 1O6B ADP 0.03774 0.418 1.77515
48 1Q3P GLU ALA GLN THR ARG LEU 0.002265 0.44296 1.83486
49 4LBP 1WG 0.007753 0.43682 2
50 1B66 BIO 0.02904 0.40309 2.14286
51 3MBG FAD 0.02582 0.40764 2.15827
52 1G0N PHH 0.001233 0.49021 2.27273
53 3GE7 AFQ 0.0008029 0.48992 2.27273
54 2B4Q NAP 0.001321 0.47527 2.27273
55 1G0N NDP 0.002531 0.47143 2.27273
56 1SNY NAP 0.003999 0.44781 2.27273
57 1D3V ABH 0.005992 0.43795 2.27273
58 3RO7 TDR 0.04633 0.4367 2.27273
59 1R37 NAD 0.01453 0.42953 2.27273
60 3ACC 5GP 0.003478 0.42459 2.27273
61 1R37 ETX 0.002262 0.42326 2.27273
62 3TN7 NJP 0.01692 0.42288 2.27273
63 1T8U UAP SGN IDS SGN 0.02903 0.41862 2.27273
64 4CCN OGA 0.003124 0.41725 2.27273
65 2BNF UTP 0.03351 0.41548 2.27273
66 1QCA FUA 0.02696 0.41239 2.27273
67 2VDJ HSE 0.002543 0.4071 2.27273
68 3LIH RAF 0.01709 0.40672 2.27273
69 4AF5 CIT 0.006162 0.4046 2.27273
70 1XX6 ADP 0.01136 0.40437 2.27273
71 1Q6I FK5 0.01733 0.40031 2.27273
72 3T2W BTN 0.0004348 0.46745 2.45902
73 4LSJ LSJ 0.0009739 0.46822 2.84091
74 3T1A 5MA 0.0009541 0.46454 2.84091
75 1UMP SQA 0.002593 0.45525 2.84091
76 4IAE 1DX 0.009493 0.45458 2.84091
77 1XLI GLT 0.006279 0.44629 2.84091
78 1VQ2 DDN 0.002185 0.44587 2.84091
79 1R6D NAD 0.01476 0.44506 2.84091
80 4A6D SAM 0.003011 0.44351 2.84091
81 5CG1 NAD BBN 0.007276 0.43815 2.84091
82 4KQL 1SG 0.02478 0.43797 2.84091
83 4O1M NAD 0.008533 0.43611 2.84091
84 3Q9T FAY 0.01564 0.43208 2.84091
85 3TO7 COA 0.01567 0.43203 2.84091
86 1KBJ FMN 0.009596 0.42821 2.84091
87 1KBI PYR 0.0106 0.42757 2.84091
88 1KBI FMN 0.0106 0.42757 2.84091
89 1NZY BCA 0.01134 0.42752 2.84091
90 1LVL FAD 0.02802 0.42381 2.84091
91 1L2T ATP 0.01037 0.4236 2.84091
92 1P9B GDP 0.006766 0.42338 2.84091
93 4M37 SAH 0.0086 0.42237 2.84091
94 3UR0 SVR 0.03422 0.42018 2.84091
95 3W54 RNB 0.006819 0.41899 2.84091
96 1L1Q 9DA 0.01029 0.41874 2.84091
97 4LN7 1ZQ 0.00868 0.41841 2.84091
98 1UXG FUM 0.03493 0.41457 2.84091
99 1UXG NAD 0.03493 0.41457 2.84091
100 3CKZ ZMR 0.04122 0.41357 2.84091
101 1P9B IMO 0.02061 0.41093 2.84091
102 4AIG FLX 0.008256 0.41056 2.84091
103 2YK7 CSF 0.01638 0.40934 2.84091
104 1Z42 FMN 0.01169 0.40617 2.84091
105 1HEX NAD 0.03167 0.40596 2.84091
106 2FWP CIT 0.04556 0.40174 2.84091
107 1O0D 163 0.02012 0.40161 2.84091
108 1C4U IH1 0.02337 0.40128 2.84091
109 3JSX FAD 0.01799 0.41209 2.9304
110 1JAC AMG 0.0008186 0.40161 3.00752
111 1JOT GAL A2G 0.01372 0.4007 3.00752
112 1A5V Y3 0.002026 0.42876 3.16456
113 2YC5 6BC 0.0007452 0.49411 3.40909
114 1OIK C26 0.0002146 0.48946 3.40909
115 3E5P PPI 0.0008951 0.48334 3.40909
116 3SCH TB6 0.0001273 0.47674 3.40909
117 1OIK AKG 0.0001514 0.47351 3.40909
118 3OND NAD 0.003455 0.47341 3.40909
119 3OND ADN 0.003455 0.47341 3.40909
120 1RM4 NDP 0.005505 0.47082 3.40909
121 2C7G FAD 0.005292 0.46954 3.40909
122 3K3K A8S 0.001006 0.46556 3.40909
123 1T26 GBD 0.01526 0.46276 3.40909
124 1T26 NAI 0.01526 0.46276 3.40909
125 1GEX PLP HSA 0.001952 0.4611 3.40909
126 2XVE FAD 0.01059 0.45735 3.40909
127 2J07 HDF 0.007659 0.45664 3.40909
128 2J07 FAD 0.007659 0.45664 3.40909
129 1P72 ADP 0.00365 0.45528 3.40909
130 4A3R CIT 0.00494 0.45372 3.40909
131 2C7G ODP 0.01062 0.45318 3.40909
132 1U7Z PMT 0.004672 0.45257 3.40909
133 2PT9 2MH 0.005454 0.45046 3.40909
134 2AE2 PTO 0.007496 0.45 3.40909
135 2AE2 NAP 0.007496 0.45 3.40909
136 2PT9 S4M 0.003351 0.44995 3.40909
137 2Q2V NAD 0.005304 0.44987 3.40909
138 2EFJ SAH 0.002005 0.44758 3.40909
139 4NM5 ADP 0.003472 0.44429 3.40909
140 4NTD FAD 0.01038 0.44096 3.40909
141 1LDM NAD 0.02307 0.44083 3.40909
142 1LL2 UPG 0.005602 0.43282 3.40909
143 2EFJ 37T 0.002033 0.43189 3.40909
144 1P72 THM 0.002146 0.43087 3.40909
145 2AQJ TRP 0.03418 0.42874 3.40909
146 1UOU CMU 0.004574 0.42684 3.40909
147 3ZEI AWH 0.01274 0.42641 3.40909
148 2EWM NAD 0.01499 0.42545 3.40909
149 2AQJ FAD 0.04307 0.42406 3.40909
150 1NML CIT 0.003695 0.42055 3.40909
151 3M6W SAM 0.007451 0.41941 3.40909
152 4U9W COA 0.01055 0.41451 3.40909
153 3PFG SAM 0.03866 0.41413 3.40909
154 3PFG TLO 0.03866 0.41413 3.40909
155 2DUA OXL 0.01381 0.4128 3.40909
156 2PUL ACP 0.01101 0.41167 3.40909
157 2DTX BMA 0.04377 0.41051 3.40909
158 2QXX TTP 0.03689 0.4105 3.40909
159 1OTH PAO 0.03581 0.40801 3.40909
160 2IUW AKG 0.01122 0.40732 3.40909
161 3UCJ AZM 0.008634 0.40714 3.40909
162 2J5S KTA 0.01877 0.40483 3.40909
163 1IYE PGU 0.0416 0.40369 3.40909
164 2ZSC BTN 0.001659 0.44674 3.5461
165 1BTN I3P 0.01515 0.41703 3.77358
166 2UZ2 BTN 0.01231 0.40945 3.84615
167 1BGQ RDC 0.0006207 0.48641 3.97727
168 3WE0 FAD 0.002033 0.48136 3.97727
169 2JAR UMP 0.0008707 0.46636 3.97727
170 2GSD NAD 0.002923 0.46494 3.97727
171 3PC3 P1T 0.001275 0.46278 3.97727
172 3PVT 3HC 0.005749 0.45267 3.97727
173 1DLJ UGA 0.009549 0.45253 3.97727
174 1H2K OGA 0.0004704 0.45245 3.97727
175 4B7E OGA 0.000614 0.45119 3.97727
176 4NE2 ADP 0.005108 0.45067 3.97727
177 4CMF PXG 0.01055 0.45031 3.97727
178 2XUM OGA 0.0005282 0.4503 3.97727
179 1H2M OGA 0.0005387 0.44993 3.97727
180 1CKN GTP 0.001023 0.44803 3.97727
181 3SSO SAH 0.002696 0.44763 3.97727
182 2Y0I AKG 0.0007689 0.44697 3.97727
183 2VHJ ADP 0.002593 0.44653 3.97727
184 2ZJ3 G6P 0.002867 0.4445 3.97727
185 1LC8 33P 0.005003 0.44317 3.97727
186 2H6B 3C4 0.02091 0.43792 3.97727
187 1FDJ 2FP 0.00235 0.43746 3.97727
188 3IB8 AMP 0.00272 0.43704 3.97727
189 1LCP PLU 0.00672 0.43558 3.97727
190 1C3V NDP 0.009591 0.4349 3.97727
191 4P3H 25G 0.0179 0.43455 3.97727
192 1FP2 HMO 0.003654 0.4335 3.97727
193 2E2R 2OH 0.01296 0.43198 3.97727
194 3E4O SIN 0.001943 0.42955 3.97727
195 3AHC TPP 0.01166 0.42953 3.97727
196 1V9N NDP 0.01336 0.42907 3.97727
197 1YGC 905 0.006447 0.42818 3.97727
198 1DLJ NAI 0.02944 0.42737 3.97727
199 3MTW M3R 0.005364 0.42591 3.97727
200 3P3N AKG 0.000777 0.42507 3.97727
201 2HGS ADP 0.009184 0.42447 3.97727
202 3NKS FAD 0.02168 0.42401 3.97727
203 3IHB GLU 0.00179 0.42382 3.97727
204 4NE2 SH2 0.02048 0.42323 3.97727
205 3CL7 HYN 0.01266 0.42101 3.97727
206 1YS4 NAP 0.01115 0.42052 3.97727
207 3P0K FAD 0.01155 0.41979 3.97727
208 1RKD ADP 0.02148 0.41896 3.97727
209 1RKD RIB 0.02148 0.41896 3.97727
210 2HW1 ANP 0.01312 0.41554 3.97727
211 3ATY FMN 0.0183 0.4153 3.97727
212 3EE4 MYR 0.01426 0.41386 3.97727
213 2F7C CCU 0.004793 0.41256 3.97727
214 4I9A NCN 0.02486 0.41232 3.97727
215 3ZS7 ATP 0.01717 0.41168 3.97727
216 1FP2 SAH 0.01041 0.41067 3.97727
217 1QW9 KHP 0.02238 0.41063 3.97727
218 1SBZ FMN 0.03172 0.41062 3.97727
219 3ANY 2A3 0.007342 0.40856 3.97727
220 1BUC CAA 0.02337 0.40832 3.97727
221 2OI2 DP6 0.01188 0.40586 3.97727
222 1C3V PDC 0.00765 0.40376 3.97727
223 1FDJ 13P 0.00773 0.40356 3.97727
224 1SQ5 PAU 0.0009977 0.40174 3.97727
225 3U1T MLI 0.006263 0.40078 3.97727
226 2TPL HPP 0.03688 0.40017 3.97727
227 1OGZ EQU 0.002537 0.43597 4
228 1Y60 H4M 0.01257 0.41947 4.14201
229 1B55 4IP 0.007739 0.4165 4.14201
230 1NHK CMP 0.03399 0.40569 4.16667
231 3QDT A2G GAL 0.004262 0.415 4.1958
232 3QDW NDG 0.006292 0.4007 4.1958
233 1HFS L04 0.004583 0.45175 4.375
234 2F59 INI 0.0002276 0.49318 4.4586
235 4MP8 MLI 0.0001771 0.52742 4.54545
236 1M5B BN1 0.005369 0.46995 4.54545
237 3UXL CFI 0.01162 0.46737 4.54545
238 4QDC ASD 0.00247 0.45856 4.54545
239 1E2S CSN 0.001183 0.45337 4.54545
240 4CS4 ANP 0.007045 0.4483 4.54545
241 4CS4 AXZ 0.009745 0.44706 4.54545
242 1JCM 137 0.005098 0.4456 4.54545
243 1TB4 PEJ 0.005694 0.44461 4.54545
244 1T0I FMN 0.002897 0.44233 4.54545
245 3NYQ AMP 0.0079 0.4414 4.54545
246 3NYQ MCA 0.00747 0.4414 4.54545
247 3H86 AP5 0.019 0.43903 4.54545
248 1XOC VAL ASP SER LYS ASN THR SER SER TRP 0.01383 0.43666 4.54545
249 4LIT AKG 0.001363 0.43621 4.54545
250 1VJO PLP 0.003286 0.4356 4.54545
251 4KXV TDP DX5 0.01349 0.43529 4.54545
252 4W97 UCA 0.006365 0.43518 4.54545
253 1Z34 2FD 0.02193 0.43472 4.54545
254 2QQF A1R 0.007049 0.43459 4.54545
255 3PQB VGP 0.007817 0.43452 4.54545
256 2CKM AA7 0.01686 0.43326 4.54545
257 3ZTV ADN 0.003927 0.42984 4.54545
258 1DXY NAD 0.01118 0.42646 4.54545
259 5YAS FAC 0.003833 0.42541 4.54545
260 4M2K PLP 0.003379 0.42514 4.54545
261 4MP8 NAD 0.01879 0.42471 4.54545
262 2RGH FAD 0.0247 0.42399 4.54545
263 4I71 AGV 0.007295 0.42383 4.54545
264 4C0X AQN 0.0164 0.42354 4.54545
265 4C0X FMN 0.01286 0.42354 4.54545
266 1VJT NAD 0.008447 0.42273 4.54545
267 2JL1 NAP 0.01221 0.41866 4.54545
268 1UKW FAD 0.02863 0.41797 4.54545
269 1YOE RIB 0.005672 0.41521 4.54545
270 2WE5 ADP 0.008558 0.41452 4.54545
271 2AEB ABH 0.03184 0.41215 4.54545
272 4G10 GSH 0.01094 0.41179 4.54545
273 1CBF SAH 0.01118 0.41136 4.54545
274 1NXJ TLA 0.0138 0.40819 4.54545
275 3SQG TP7 0.01357 0.40752 4.54545
276 4Q3R XA2 0.02604 0.40747 4.54545
277 1H9A NAP 0.04067 0.40737 4.54545
278 1C7S CBS 0.01117 0.40706 4.54545
279 2OD9 A1R NCA 0.03377 0.40702 4.54545
280 4ARF IP8 GLY PRO ALA 0.01392 0.40701 4.54545
281 1DXY COI 0.001701 0.40481 4.54545
282 3PJU C2E 0.0327 0.40402 4.54545
283 4F2Q QUS 0.01521 0.40319 4.54545
284 2C1Q BTN 0.01907 0.42872 4.7619
285 3NX2 FER 0.0025 0.4098 4.7619
286 1TH8 ADP 0.004543 0.42212 4.82759
287 3DDC GNP 0.002283 0.45787 4.90798
288 4NAT 2W5 0.004434 0.45826 5
289 4NAT ADP 0.01512 0.45826 5
290 1UW1 ADP 0.006515 0.40678 5
291 4KCF FMN 0.0002809 0.4788 5.11364
292 1TDF FAD 0.00278 0.47732 5.11364
293 2Q1S NAI 0.003111 0.47206 5.11364
294 4FWE FAD 0.003132 0.47192 5.11364
295 1PL6 572 0.00268 0.46437 5.11364
296 3I28 34N 0.005713 0.46144 5.11364
297 1WUR 8DG 0.001746 0.45827 5.11364
298 1V35 NAI 0.007397 0.45125 5.11364
299 1TUF AZ1 0.003559 0.44713 5.11364
300 1DR1 NAP 0.008821 0.44346 5.11364
301 1DR1 HBI 0.008821 0.44346 5.11364
302 2J7T 274 0.005764 0.44303 5.11364
303 3IOI 1GW 0.006918 0.44303 5.11364
304 2IXB A2G 0.0101 0.44156 5.11364
305 1Y7I SAL 0.00129 0.44053 5.11364
306 1QS8 IVA VAL VAL STA ALA STA 0.003607 0.43794 5.11364
307 2IXB NAD 0.009754 0.43454 5.11364
308 1R18 SAH 0.006174 0.43257 5.11364
309 2ZX7 ZX7 0.01046 0.43245 5.11364
310 2PWY SAH 0.006754 0.43238 5.11364
311 3H22 B53 0.003211 0.42883 5.11364
312 3DDN HPV 0.002039 0.42864 5.11364
313 3BW2 FMN 0.01341 0.42659 5.11364
314 1SB8 UD2 0.03306 0.42619 5.11364
315 3RFV NAI 0.01262 0.42529 5.11364
316 3QVL 5HY 0.02763 0.42241 5.11364
317 3MB5 SAM 0.04034 0.42027 5.11364
318 1GV0 NAD 0.0191 0.41911 5.11364
319 4LWA Q13 0.03076 0.41827 5.11364
320 2QF7 COA 0.007588 0.41689 5.11364
321 2J8Z NAP 0.02037 0.41653 5.11364
322 1SB8 NAD 0.04477 0.41647 5.11364
323 1F5F DHT 0.01012 0.41534 5.11364
324 2DDH HXD 0.01431 0.41379 5.11364
325 1FS5 TLA 0.02119 0.41378 5.11364
326 3PNL ADP 0.01901 0.4096 5.11364
327 4KCF AKM 0.0262 0.4045 5.11364
328 4EPM AMP 0.02674 0.40408 5.11364
329 4P7X AKG 0.02061 0.40192 5.11364
330 2JFV FLC 0.003493 0.40159 5.11364
331 3PNA CMP 0.004489 0.41969 5.19481
332 2PN6 GLN 0.03519 0.43443 5.33333
333 3TCT 3MI 0.009069 0.45523 5.51181
334 1I9G SAM 0.002508 0.47867 5.68182
335 2XK9 XK9 0.004221 0.45592 5.68182
336 3QP6 HL6 0.001108 0.45466 5.68182
337 2X61 CH 0.005789 0.45461 5.68182
338 4TMK T5A 0.02772 0.45375 5.68182
339 1TOI HCI 0.003495 0.45349 5.68182
340 4NES UDP 0.001791 0.44982 5.68182
341 4DL8 UMP AF3 PO4 0.002415 0.44795 5.68182
342 1E7S NAP 0.007393 0.44162 5.68182
343 4OE4 NAD 0.008444 0.43696 5.68182
344 3OZG SSI 0.003761 0.43293 5.68182
345 4MWV BCZ 0.01515 0.43177 5.68182
346 2X61 NGA GAL SIA 0.03014 0.43097 5.68182
347 2HFK E4H 0.002163 0.43072 5.68182
348 3QP4 HL0 0.004631 0.42882 5.68182
349 2NLI FMN 0.03501 0.42756 5.68182
350 4MZ7 DGT 0.01379 0.426 5.68182
351 4IXW IXW 0.00009605 0.42284 5.68182
352 2NLI LAC 0.04628 0.4224 5.68182
353 3VTF UPG 0.01147 0.41656 5.68182
354 2B82 ADN 0.01604 0.41146 5.68182
355 1NW5 SAM 0.01639 0.40933 5.68182
356 4N14 WR7 0.01174 0.40846 5.68182
357 2FFC U5P 0.01581 0.40829 5.68182
358 2QDT I38 0.01493 0.40563 5.68182
359 3LST SAH 0.01471 0.40385 5.68182
360 2YFT DQR 0.01854 0.40132 5.68182
361 1JSH SIA GAL 0.02916 0.4008 5.68182
362 2WCV FUC 0.00407 0.42158 5.71429
363 1FMB HYB 0.007365 0.41519 5.76923
364 1F7K UMP 0.02005 0.41494 5.88235
365 1UCN ADP 0.008427 0.41483 5.92105
366 5FIT AP2 0.003467 0.42989 6.12245
367 3EM1 TYD 0.004818 0.44011 6.16438
368 1KYZ FER 0.0001623 0.51591 6.25
369 2V7T SAH 0.001746 0.51182 6.25
370 1R6W 164 0.0003206 0.48155 6.25
371 3L0E G58 0.001579 0.46707 6.25
372 1H82 FAD 0.006618 0.46525 6.25
373 3F3E LEU 0.004627 0.45735 6.25
374 3V1U NAD 0.00252 0.45583 6.25
375 3QO8 SSA 0.001374 0.45282 6.25
376 3VPD ANP 0.002139 0.45231 6.25
377 1JYQ MAZ PTR PTM ASN 0.009718 0.45214 6.25
378 2HVW DDN 0.001275 0.4519 6.25
379 1EP2 ORO 0.008398 0.44126 6.25
380 1KYZ SAH 0.003686 0.43751 6.25
381 2ZI8 SDT 0.007734 0.43687 6.25
382 1HDR NAD 0.0211 0.43409 6.25
383 1M1B SPV 0.001607 0.43312 6.25
384 3B1F NAD 0.006033 0.43304 6.25
385 4P05 4NS 0.006438 0.43172 6.25
386 4QN7 G39 0.0187 0.42519 6.25
387 1ZGA HMK 0.004892 0.42318 6.25
388 1EP2 FAD 0.01077 0.42282 6.25
389 3CXO 3LR 0.0166 0.42084 6.25
390 2HV8 GTP 0.01512 0.41735 6.25
391 3AYS CT3 0.006094 0.41644 6.25
392 3CXO 1N5 0.02623 0.41356 6.25
393 3V1U HXC 0.007211 0.41318 6.25
394 2DWU DGL 0.006305 0.41317 6.25
395 3ZUY TCH 0.007856 0.41152 6.25
396 2HVW DCP 0.01017 0.41113 6.25
397 3ZLM ANP 0.01494 0.40943 6.25
398 1EP2 FMN 0.02759 0.40887 6.25
399 1ML4 PAL 0.02302 0.40791 6.25
400 2FLI DX5 0.01986 0.40503 6.25
401 1EYQ NAR 0.0116 0.40146 6.25
402 2YVF NAD 0.000269 0.5405 6.81818
403 2YVF FAD 0.0002595 0.5405 6.81818
404 1ZK4 AC0 0.002209 0.50189 6.81818
405 1ZK4 NAP 0.002209 0.50189 6.81818
406 1TIW FAD 0.001771 0.47912 6.81818
407 1TIW TFB 0.001771 0.47912 6.81818
408 4O8A FAD 0.00307 0.45892 6.81818
409 2VAR ANP 0.001688 0.4571 6.81818
410 1PR9 NAP 0.004319 0.45424 6.81818
411 2R40 EPH 0.004919 0.44834 6.81818
412 1UJ2 ADP 0.003664 0.44811 6.81818
413 1M7Y PPG 0.005042 0.44717 6.81818
414 3D3W NAP 0.007615 0.44219 6.81818
415 2VAR KDG 0.001845 0.44218 6.81818
416 9LDT NAD 0.00687 0.44194 6.81818
417 2VAR KDF 0.003671 0.42877 6.81818
418 3FSY SCA 0.01911 0.42625 6.81818
419 2AMV BIN 0.03237 0.42524 6.81818
420 4DQ2 BTX 0.01528 0.42258 6.81818
421 1OWB NAD 0.01793 0.42106 6.81818
422 9LDB NAD 0.01855 0.42092 6.81818
423 1UBY DMA 0.007923 0.42023 6.81818
424 2R40 20E 0.01346 0.41975 6.81818
425 1R89 CTP 0.007572 0.41909 6.81818
426 1X8X TYR 0.00585 0.41723 6.81818
427 1UJ2 C5P 0.02071 0.41223 6.81818
428 1O68 KIV 0.00639 0.41014 6.81818
429 3UER BTU 0.009634 0.40995 6.81818
430 3UER TUR 0.009634 0.40995 6.81818
431 1XX4 BAM 0.009517 0.40672 6.81818
432 2CE7 ADP 0.01327 0.40589 6.81818
433 1MG1 MAL 0.02287 0.4058 6.81818
434 5T0A A3P 0.01238 0.40389 6.81818
435 1RY2 AMP 0.03159 0.40342 6.81818
436 4HZO COA 0.009742 0.4021 6.81818
437 1NOW IFG 0.009767 0.40206 6.81818
438 1OGD RIP 0.006137 0.4109 6.87023
439 1Y2W NAG 0.002735 0.41972 7.04225
440 2ZB3 NDP 0.006475 0.44059 7.08215
441 2GTE VA 0.03021 0.40012 7.25806
442 3R35 4CO 0.003451 0.45646 7.28477
443 1ECC PCP 0.0005706 0.4829 7.38636
444 1JA9 NDP 0.005845 0.47471 7.38636
445 2WQP WQP 0.00155 0.46746 7.38636
446 1H6W SER LEU ASN TYR ILE ILE LYS VAL LYS GLU 0.006596 0.46036 7.38636
447 1YBH FAD 0.00688 0.45087 7.38636
448 2DKH FAD 0.008592 0.43962 7.38636
449 1G6O ADP 0.02458 0.43427 7.38636
450 4FDV 0UK 0.01238 0.43068 7.38636
451 3WO0 ADP 0.01597 0.42963 7.38636
452 3WO0 ALA 0.01597 0.42963 7.38636
453 4C0C WVH 0.02586 0.42641 7.38636
454 1JIL 485 0.007661 0.4247 7.38636
455 1LYX PGA 0.005891 0.42187 7.38636
456 1XNK XS2 0.006833 0.42112 7.38636
457 1VDC FAD 0.03822 0.42003 7.38636
458 4O8O AHR 0.01094 0.41958 7.38636
459 4QVH COA 0.01866 0.41644 7.38636
460 3DAG FEG 0.01693 0.41643 7.38636
461 1KWK GAL 0.01086 0.41584 7.38636
462 2OHV NHL 0.009925 0.40446 7.38636
463 3MMR ABH 0.03052 0.40415 7.38636
464 1YBH P22 0.04378 0.40259 7.38636
465 2NW9 FT6 0.008292 0.40224 7.38636
466 1MDZ PLP 0.04894 0.40127 7.38636
467 1X0P FAD 0.01641 0.4056 7.69231
468 3BY8 MLT 0.004607 0.40643 7.74648
469 2F01 BTN 0.01192 0.45656 7.87402
470 2F01 BTQ 0.03889 0.42937 7.87402
471 4FR3 0V4 0.0007993 0.52089 7.95455
472 3ZOD FMN 0.001427 0.46917 7.95455
473 3ZOD HQE 0.001427 0.46917 7.95455
474 3WBF API 0.002389 0.4668 7.95455
475 2YPO PHE 0.002602 0.46105 7.95455
476 4BT5 23B 0.0006689 0.45617 7.95455
477 4FR3 LYS ARG ARG LYS SEP VAL 0.01411 0.45505 7.95455
478 2GWD GLU 0.0007386 0.45427 7.95455
479 3ZRR PXG 0.001985 0.4519 7.95455
480 2BGM NAJ 0.01672 0.44435 7.95455
481 3MPI GRA 0.01528 0.44428 7.95455
482 4C1K PEP 0.001343 0.43976 7.95455
483 1Q6O LG6 0.002908 0.43802 7.95455
484 3WBF NAP 0.007806 0.43668 7.95455
485 3O03 NAP 0.01379 0.42209 7.95455
486 3P0F BAU 0.006577 0.42188 7.95455
487 2BGM MAX 0.0133 0.41999 7.95455
488 3O03 GCO 0.0009252 0.4181 7.95455
489 3HF3 FMN 0.01372 0.41628 7.95455
490 3MPI FAD 0.04321 0.40706 7.95455
491 1H2B NAJ 0.04427 0.4045 7.95455
492 2H8Z 8CM 0.04133 0.40153 7.95455
493 2H8Z FMN 0.04133 0.40153 7.95455
494 4LFL TG6 0.00501 0.42023 8.02469
495 1POC GEL 0.009193 0.41727 8.20895
496 4BMO FMN 0.004365 0.4445 8.40336
497 2Q97 ATP 0.00176 0.45811 8.52273
498 3LZW NAP 0.01092 0.45466 8.52273
499 2PTZ PAH 0.00173 0.44827 8.52273
500 3C1O NAP 0.003465 0.44768 8.52273
501 3OIG IMJ 0.007843 0.44156 8.52273
502 2I4O ATP 0.001704 0.44108 8.52273
503 3IU9 T07 0.0239 0.4369 8.52273
504 3LZW FAD 0.01381 0.43478 8.52273
505 4EPL JAI 0.003507 0.43431 8.52273
506 4N02 FNR 0.02466 0.4328 8.52273
507 4G87 UD1 0.02088 0.43237 8.52273
508 1ZM1 BGC BGC BGC 0.005931 0.42475 8.52273
509 1YAG ATP 0.01292 0.41908 8.52273
510 4LXH C1E 0.009919 0.41575 8.52273
511 2YCJ C2F 0.01238 0.40724 8.52273
512 2QA1 FAD 0.04549 0.40593 8.52273
513 1IM8 SAI 0.02639 0.40129 8.52273
514 1MQ0 BRD 0.004477 0.42726 8.57143
515 1GSA ADP 0.005034 0.46509 9.09091
516 1RYI FAD 0.0187 0.43098 9.09091
517 4HZX G39 0.02038 0.42727 9.09091
518 1GSA GSH 0.007035 0.42456 9.09091
519 2QIA U20 0.03979 0.42233 9.09091
520 1OFH ADP 0.01332 0.4214 9.09091
521 3KJI ADP 0.0172 0.40281 9.09091
522 4JK3 NAD 0.04077 0.40183 9.09091
523 1SS4 CIT 0.003655 0.48149 9.15033
524 3S9K CIT 0.0008949 0.50142 9.32203
525 2FQO HYI 0.01169 0.42266 9.55414
526 4GYW UDP 0.002661 0.46324 9.65909
527 2G86 UMP 0.009045 0.45294 9.65909
528 3ULK NDP 0.003264 0.44555 9.65909
529 2QJN KDG 0.003358 0.43291 9.65909
530 1P9P SAH 0.008184 0.42683 9.65909
531 1V7R CIT 0.008159 0.41799 9.65909
532 3UH0 TSB 0.01685 0.41361 9.65909
533 3LPF Z77 0.02282 0.41156 9.65909
534 3FW9 SLX 0.01601 0.40693 9.65909
535 1QPB PYM 0.0009463 0.47768 10.2273
536 1QPB TPP 0.0009463 0.47768 10.2273
537 4JP3 CIT 0.0004811 0.46833 10.2273
538 1Q3Q ANP 0.006032 0.46733 10.2273
539 3W8X FAD 0.005171 0.46263 10.2273
540 1Z45 NAD 0.008298 0.4367 10.2273
541 4W6Z 8ID 0.0119 0.43597 10.2273
542 3AMN CBK 0.008188 0.43428 10.2273
543 4W6Z ETF 0.0003883 0.42858 10.2273
544 2R14 TXD 0.01319 0.42816 10.2273
545 2R14 FMN 0.0103 0.42816 10.2273
546 1Z45 UPG 0.00614 0.42728 10.2273
547 3W8X FTK 0.005017 0.42359 10.2273
548 2QS8 MET 0.01464 0.42347 10.2273
549 4IVG ANP 0.01147 0.42152 10.2273
550 4USQ FAD 0.02418 0.41861 10.2273
551 1KC7 PPR 0.002808 0.41555 10.2273
552 1Z45 GAL 0.005374 0.41343 10.2273
553 1N6B DMZ 0.03856 0.41147 10.2273
554 1KHT AMP 0.007075 0.41096 10.2273
555 3HY3 10F 0.02131 0.40877 10.2273
556 3UIE ADX 0.01173 0.40832 10.2273
557 3UIE ANP 0.01222 0.40295 10.2273
558 4GO7 THR 0.003199 0.4289 10.5
559 4AF0 IMP 0.0009616 0.50163 10.7955
560 1IUP ALQ 0.001157 0.47806 10.7955
561 3B20 NAD 0.001039 0.47412 10.7955
562 3T31 DCQ 0.01425 0.44796 10.7955
563 1V2X SAM 0.002491 0.44733 10.7955
564 3IL6 B83 0.003267 0.44187 10.7955
565 3FC4 EDO 0.01943 0.43887 10.7955
566 3PY5 AMP 0.0038 0.43273 10.7955
567 1WVG CXY 0.01052 0.4217 10.7955
568 3A2Q ACA ACA 0.008481 0.41888 10.7955
569 3T31 FAD 0.04865 0.41874 10.7955
570 1JUV NDP 0.02015 0.41417 10.7955
571 1WVG APR 0.01971 0.41327 10.7955
572 1Z4V DAN 0.01546 0.40069 10.7955
573 1TU3 GNP 0.006567 0.43606 11.1111
574 2XCG XCG 0.001086 0.47939 11.3636
575 4HA6 FAD 0.002731 0.47491 11.3636
576 4PO2 ASN ARG LEU LEU LEU THR GLY 0.001195 0.46597 11.3636
577 4JRB PGT 0.002146 0.43923 11.3636
578 3VKX T3 0.00571 0.43154 11.3636
579 3IBH GSH 0.006077 0.42937 11.3636
580 3B96 MYA 0.0183 0.40709 11.3636
581 2JBZ COA 0.0008142 0.50386 11.8881
582 1XHL TNE 0.00117 0.43552 11.9318
583 1WL4 COA 0.017 0.43484 11.9318
584 1EDO NAP 0.03815 0.43148 11.9318
585 1XHL NDP 0.02004 0.42044 11.9318
586 3I8T LBT 0.008026 0.4058 12.1951
587 2D0V PQQ 0.001556 0.4568 12.5
588 2Q8M AMP 0.002209 0.43867 12.5
589 4KS1 2H8 0.01853 0.43294 12.5
590 2Q8H TF4 0.003652 0.42599 12.5
591 2Q8M FBP 0.00991 0.41376 12.5
592 1V2G OCA 0.008503 0.41239 12.5
593 2V5E SCR 0.01721 0.4022 12.8713
594 1JQI FAD 0.0008754 0.49191 13.0682
595 1JQI CAA 0.008274 0.42978 13.0682
596 4IS0 1R4 0.008227 0.42672 13.0682
597 4B4D FAD 0.009855 0.42136 13.0682
598 3BLI ACO 0.01582 0.41336 13.0682
599 3E81 SLB 0.009187 0.4003 13.4146
600 4PLG NAI 0.0002864 0.51711 13.6364
601 4PLG OXM 0.0002864 0.51711 13.6364
602 4AT0 FAD 0.01241 0.44512 13.6364
603 2VPR TDC 0.002364 0.4421 13.6364
604 1SOW NAD 0.008035 0.43986 13.6364
605 1Q0H FOM 0.02187 0.43094 13.6364
606 1Q0H NDP 0.02348 0.43094 13.6364
607 1QO0 BMD 0.002134 0.40823 13.6364
608 4RJK PYR 0.006139 0.40799 13.6364
609 2RCN GDP 0.01043 0.40602 13.6364
610 3GWT 066 0.01026 0.43347 14.2045
611 1EZV SMA 0.01193 0.42511 14.5455
612 1EZV UQ6 0.02674 0.40259 14.5455
613 2D37 FMN 0.005296 0.44199 14.7727
614 2D37 NAD 0.005672 0.44199 14.7727
615 3CQD ATP 0.02859 0.418 14.7727
616 2G36 TRP 0.007493 0.40415 14.7727
617 1ZK7 FAD 0.03406 0.42108 15.3409
618 2P41 G1G 0.004576 0.41933 15.3409
619 2P41 SAH 0.01255 0.41294 15.3409
620 2HGZ PBF 0.0008748 0.47595 15.9091
621 4G1V FAD 0.005741 0.44174 15.9091
622 4IOK ADP 0.005472 0.44131 15.9091
623 4IOK XPO 0.02389 0.40641 15.9091
624 1ITZ TPP 0.03239 0.40011 15.9091
625 1X54 4AD 0.003501 0.44747 16.4773
626 2NX1 PEP 0.004398 0.44729 16.4773
627 2CSN CKI 0.006591 0.43598 16.4773
628 2NX1 RP5 0.02201 0.41363 16.4773
629 1FIQ FAD 0.001463 0.47848 17.6136
630 1FIQ MTE 0.001593 0.47135 17.6136
631 1FIQ SAL 0.001813 0.47135 17.6136
632 3S6T OAN 0.0114 0.41298 17.6136
633 3BAZ NAP 0.02658 0.40703 17.6136
634 1T0S BML 0.0002773 0.4674 18.75
635 1KOL NAD 0.006258 0.44977 18.75
636 1FP1 HCC 0.01814 0.40552 18.75
637 1NX4 AKG 0.0005021 0.45497 19.3182
638 3ANK NG6 GCD 0.001557 0.44282 19.3182
639 1REO FAD 0.01463 0.4345 19.3182
640 4OJ8 2TQ 0.006539 0.4314 19.3182
641 1R27 MGD 0.03112 0.41519 19.3182
642 2VPQ ANP 0.01309 0.42264 19.8864
643 3WKX FUB 0.002029 0.42527 21.0227
644 3BL6 FMC 0.02033 0.40322 21.0227
645 4UAL 3FV 0.009701 0.41619 25
646 1QY1 PRZ 0.0008755 0.47037 27.5862
647 4G28 0W8 0.001955 0.43563 28.4314
648 1PFK ADP 0.002947 0.43775 34.6591
Pocket No.: 2; Query (leader) PDB : 4N7C; Ligand: AEF; Similar sites found: 17
This union binding pocket(no: 2) in the query (biounit: 4n7c.bio1) has 11 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4X7Y SAH 0.03424 0.41303 1.70455
2 1U0A BGC BGC BGC BGC 0.01555 0.40933 1.70455
3 5A0U CHT 0.009432 0.4118 2.84091
4 5FQK 6NT 0.009686 0.40126 2.84091
5 4A4X JUP 0.03356 0.40239 3.97727
6 5U6C 7YS 0.02931 0.40002 3.97727
7 5DQ8 FLF 0.03572 0.40223 4.54545
8 4BKJ STI 0.02584 0.40102 4.54545
9 4M0R 644 0.03899 0.41048 5.11364
10 4P7X YCP 0.02061 0.40192 5.11364
11 5KO1 6UY 0.01174 0.41656 5.68182
12 5CEO 50D 0.02163 0.4003 6.25
13 5FP3 3JI 0.02553 0.40937 6.81818
14 2NNQ T4B 0.03101 0.40767 6.87023
15 3FW4 CAQ 0.02319 0.4077 7.30337
16 3AMN CBI 0.008188 0.43428 10.2273
17 5TFZ 7BC 0.002047 0.44866 13.3333
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