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Receptor
PDB id Resolution Class Description Source Keywords
2YJD 1.93 Å NON-ENZYME: SIGNAL_HORMONE STAPLED PEPTIDE BOUND TO ESTROGEN RECEPTOR BETA HOMO SAPIENS HORMONE RECEPTOR-PEPTIDE COMPLEX
Ref.: DESIGN AND STRUCTURE OF STAPLED PEPTIDES BINDING TO ESTROGEN RECEPTORS. J.AM.CHEM.SOC. V. 133 9696 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
YJD A:1498;
B:1498;
Valid;
Valid;
none;
none;
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268.31 C16 H16 N2 O2 CC(C)...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2YJD 1.93 Å NON-ENZYME: SIGNAL_HORMONE STAPLED PEPTIDE BOUND TO ESTROGEN RECEPTOR BETA HOMO SAPIENS HORMONE RECEPTOR-PEPTIDE COMPLEX
Ref.: DESIGN AND STRUCTURE OF STAPLED PEPTIDES BINDING TO ESTROGEN RECEPTORS. J.AM.CHEM.SOC. V. 133 9696 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 286 families.
1 2YJD - YJD C16 H16 N2 O2 CC(C)Oc1nc....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 2YJD - YJD C16 H16 N2 O2 CC(C)Oc1nc....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 174 families.
1 2YJD - YJD C16 H16 N2 O2 CC(C)Oc1nc....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: YJD; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 YJD 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2YJD; Ligand: YJD; Similar sites found with APoc: 345
This union binding pocket(no: 1) in the query (biounit: 2yjd.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 1UO5 PIH None
3 1MID LAP None
4 3RV5 DXC None
5 1HBK MYR None
6 4V1F BQ1 None
7 1XZ3 ICF None
8 5CSD ACD None
9 1UO4 PIH None
10 5CHR 4NC None
11 1HBK COA None
12 5N8V KZZ None
13 2ZFU SAH None
14 2CB8 MYA None
15 5TVI MYR None
16 2HJ3 FAD None
17 3E85 BSU None
18 3KO0 TFP None
19 3GWN FAD None
20 4WG0 CHD None
21 3L1N PLM None
22 5V4R MGT 1.23457
23 4DE3 DN8 1.25
24 6D28 NEC 1.25
25 3X01 AMP 1.25
26 6H8S FSZ 1.25
27 2GFD RDA 1.27119
28 5M37 9SZ 1.30435
29 5M36 9SZ 1.31004
30 5UWA 8ND 1.47783
31 2NNQ T4B 1.52672
32 5AE2 FAD 1.66667
33 5AE2 FYC 1.66667
34 3HYW DCQ 1.66667
35 3W54 RNB 1.66667
36 5U97 PIT 1.66667
37 3SFI 3SF 1.69492
38 2F2G HMH 1.80995
39 2Q4X HMH 1.80995
40 3X1M COA 1.88679
41 4O4Z N2O 1.94805
42 3IIS PID 1.98676
43 2A1L PCW 2.08333
44 2CIX CEJ 2.08333
45 4PGK Y69 2.08333
46 6CGN DA 2.08333
47 1XMY ROL 2.08333
48 5OHJ 9VE 2.08333
49 3GWT 066 2.08333
50 5B25 4QJ 2.08333
51 1RL4 BL5 2.12766
52 4B7P 9UN 2.17391
53 5UC9 MYR 2.21239
54 5MWE TCE 2.46914
55 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 2.5
56 3WYJ H78 2.5
57 5B4B LP5 2.5
58 1J78 OLA 2.5
59 2ZCQ B65 2.5
60 6AP8 BNY 2.5
61 3H78 BE2 2.5
62 4YDQ ANP 2.5
63 4YDQ HFG 2.5
64 2GBB CIT 2.5641
65 1N8V BDD 2.67857
66 1T27 PCW 2.91667
67 6BR8 6OU 2.91667
68 3G5N PB2 2.91667
69 2BD0 BIO 2.91667
70 5AZC PGT 2.91667
71 4ZVV GN0 2.91667
72 4ZVV NAD 2.91667
73 3WDM ADN 2.91667
74 5LIA 6XN 2.91667
75 3G5D 1N1 2.91667
76 2P1C GG3 2.91667
77 3KC1 2T6 2.91667
78 3WUR O4B 2.92398
79 3EWK FAD 3.0837
80 5X13 HC4 3.19149
81 4PSB GA3 3.22581
82 1R6N 434 3.31754
83 4V3I ASP LEU THR ARG PRO 3.33333
84 2UW1 GVM 3.33333
85 3EE4 MYR 3.33333
86 1GVE CIT 3.33333
87 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 3.33333
88 5FUS DAO 3.33333
89 4PFC 2QX 3.33333
90 3PVT 3HC 3.33333
91 4L77 CNL 3.33333
92 1WEI ADE 3.55556
93 4K7O EKZ 3.57143
94 6CB2 OLC 3.75
95 6F6E PLM 3.75
96 1FX8 BOG 3.75
97 3JRS A8S 3.75
98 4WVO 3UZ 3.75
99 2OBD 2OB 3.75
100 4KCF AKM 3.75
101 2Q6B HR2 3.75
102 5UR1 YY9 3.75
103 5TO8 7FM 3.75
104 3TL1 JRO 3.77358
105 2IOR ADP 3.82979
106 4XB4 45D 3.94737
107 3RET PYR 3.9604
108 3RET SAL 3.9604
109 4PJT 2YQ 4.05405
110 5UC4 83S 4.09091
111 6DIO CIT 4.16667
112 2JHP GUN 4.16667
113 3AQT RCO 4.16667
114 5MW4 5JU 4.16667
115 3D9F FAD 4.16667
116 3V1S 0LH 4.16667
117 3D9F N6C 4.16667
118 5DRB 5FJ 4.16667
119 5X20 AOT 4.16667
120 4EI7 GDP 4.16667
121 2ZJ1 ARJ 4.16667
122 2ZJ1 NAD 4.16667
123 3KDJ A8S 4.45545
124 4RJD TFP 4.54545
125 3P9T TCL 4.56621
126 5IUY BOG 4.58333
127 3LXI CAM 4.58333
128 4OGQ 7PH 4.58333
129 2Z9I GLY ALA THR VAL 4.58333
130 5V3Y 5V8 4.58333
131 3GXO MQA 4.60705
132 1SQL GUN 4.79452
133 5X3R 7Y3 4.87805
134 6B5Q PPI CZS 2KY MLY 1XY 4.88889
135 1GNI OLA 5
136 4NAT 2W5 5
137 2E3N 6CM 5
138 4F4P 0SB 5
139 5K7K 6RJ 5
140 1UUO FMN 5
141 1UUO ORO 5
142 3WCA FPS 5
143 3MBG FAD 5.03597
144 3GUZ PAF 5.11364
145 5UGW GSH 5.14286
146 4LA7 A1O 5.18135
147 2YI0 YI0 5.24017
148 5JNN 6LM 5.26316
149 3KP6 SAL 5.29801
150 1YC4 43P 5.30303
151 4XQM MAN 5.31915
152 4URN NOV 5.33333
153 3W5N RAM 5.41667
154 3F3E LEU 5.41667
155 3COW 52H 5.41667
156 5NM7 GLY 5.41667
157 5HGR 45D 5.41667
158 3ETG GTP 5.41667
159 5OCA 9QZ 5.55556
160 2BTO GTP 5.55556
161 3O55 FAD 5.6
162 1OQC FAD 5.6
163 3NMV PYV 5.61798
164 5WZU 7W3 5.69106
165 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 5.71429
166 4WT2 3UD 5.71429
167 3O01 DXC 5.83333
168 5MTE BB2 5.83942
169 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 6
170 5C9J DAO 6.06061
171 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 6.06061
172 2D5Z L35 6.16438
173 2W9S TOP 6.21118
174 1ZED PNP 6.25
175 5L2R MLA 6.25
176 4DXJ 0M9 6.25
177 5EW9 5VC 6.25
178 4OAS 2SW 6.25
179 2O1V ADP 6.25
180 2XXP DSL 6.25
181 5B0I BOG 6.25
182 5UI2 EQ3 6.25
183 3TKY N7I 6.25
184 4WQ2 3SU 6.35838
185 5IKH 6BW 6.36364
186 5XNA SHV 6.52174
187 6CED EYA 6.54206
188 5Z1N PEF 6.54762
189 5OSW DIU 6.66667
190 4LY9 S6P 6.66667
191 4LY9 1YY 6.66667
192 5DEY 59T 6.66667
193 1OJ7 NZQ 6.66667
194 1YKD CMP 6.66667
195 1XON PIL 6.66667
196 2WOR 2AN 7
197 1RV1 IMZ 7.05882
198 3B9Z CO2 7.08333
199 4M73 M72 7.08333
200 4M73 SAH 7.08333
201 5OKL PAM 7.08333
202 2OZ5 7XY 7.08333
203 1SMR PIV HIS PRO PHE HIS LPL TYR TYR SER 7.08333
204 2WCJ M21 7.0922
205 3E3U NVC 7.1066
206 1PZO CBT 7.22433
207 4XOQ F42 7.24638
208 2BHW NEX 7.32759
209 5MOB A8S 7.32759
210 5FQK 6NT 7.43494
211 1S8G DAO 7.43802
212 2HZL PYR 7.5
213 5CYV WCA 7.53425
214 1Y75 NAG 7.62712
215 4DS8 A8S 7.6555
216 1UVC STE 7.69231
217 2HHP FLC 7.91667
218 3HP9 CF1 7.91667
219 5CX6 CDP 7.91667
220 4IGH 1EA 7.91667
221 4IGH ORO 7.91667
222 4IGH FMN 7.91667
223 2Z7I 742 7.91667
224 4ZL4 4PK 7.91667
225 2EAE FUL 7.91667
226 4JX1 CAH 7.9646
227 3G08 FEE 8.08081
228 3QUZ QUV 8.08081
229 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 8.08081
230 3RUG DB6 8.08081
231 1XVB 3BR 8.23529
232 4WGF HX2 8.29268
233 1TV5 N8E 8.33333
234 3RLF MAL 8.33333
235 5JO1 6LM 8.64865
236 3V66 D3A 8.75
237 1XX4 BAM 8.75
238 1ZOA 140 8.75
239 1B4N GUA 8.75
240 1JCM 137 8.75
241 2QZT PLM 9.00901
242 4G86 BNT 9.16667
243 4MRP GSH 9.16667
244 2HKJ RDC 9.16667
245 5TUX ECH 9.16667
246 1NF8 BOG 9.17874
247 1JGS SAL 9.42029
248 3R1V AZB 9.44882
249 1SBR VIB 9.5
250 1EWF PC1 9.58333
251 1NP7 FAD 9.58333
252 3R9V DXC 9.58333
253 6A0S NDP 10
254 3RWP ABQ 10
255 4OHU NAD 10
256 4OHU 2TK 10
257 2BCG GER 10.1942
258 1BGQ RDC 10.2222
259 4YMU ARG 10.4545
260 1NQ7 ARL 10.8333
261 4Y9J UCC 10.8333
262 5IM3 DTP 10.8333
263 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 10.8787
264 4OMJ 2TX 11.25
265 1MFI FHC 11.4035
266 1T0S BML 11.6279
267 4URX FK1 11.6667
268 3ABA FLI 11.6667
269 5OLK DTP 11.6667
270 3PMD 11A 11.7647
271 6BVK EAV 11.976
272 6BVM EBV 11.976
273 6BVJ EAS 11.976
274 6BVL EBY 11.976
275 6BVI EC4 11.976
276 4OIC A8S 12.0833
277 4WO4 JLS 12.0833
278 3HUJ AGH 12.0833
279 6AC9 ANP 12.5
280 2VWA PTY 12.8713
281 4XIZ LPP 12.9412
282 1DTL BEP 13.6646
283 1DB1 VDX 13.75
284 4P3H 25G 13.9896
285 3NJQ NJQ 14.5078
286 5N26 73M 14.8352
287 5N26 CPT 14.8352
288 4EKQ NPO 14.9733
289 5W7B MYR 15.6028
290 2Z6D FMN 16.1538
291 1NU4 MLA 16.4948
292 1ZXM ANP 16.6667
293 1UDY CS8 17.5
294 2XN3 ID8 17.5
295 1M13 HYF 20.4167
296 2YLD CMO 21.2598
297 5X8Q 82R 22.9167
298 2BP1 FLC 23.3333
299 2XCM ADP 25
300 4DK7 0KS 25.4167
301 3GYT DL4 25.4167
302 2RH1 CAU 26.25
303 3RUU 37G 26.6376
304 5ICK FEZ 26.6376
305 2Y69 CHD 27.1429
306 3DCT 064 28.5714
307 1N83 CLR 30
308 3BQD DAY 33.75
309 2A3I C0R 34.1667
310 5HCV 60R 34.1667
311 1HG4 LPP 35.8333
312 1G2N EPH 35.9848
313 4IAE 1DX 38.4615
314 2LBD REA 38.75
315 4OIV XX9 38.9381
316 1XAP TTB 39.1667
317 1FCZ 156 39.5745
318 5W97 CHD 41.3043
319 5Z84 CHD 41.3043
320 5ZCO CHD 41.3043
321 5ZCO PGV 41.3043
322 2DYR PGV 41.3043
323 2DYS PGV 41.3043
324 1DKF OLA 42.4893
325 1DKF BMS 42.4893
326 3OKI OKI 42.8571
327 1YMT DR9 45
328 1YP0 PEF 45.1883
329 3FS1 MYR 45.2174
330 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 45.2174
331 4QJR PIZ 46.1224
332 3H0A 9RA 46.1538
333 3KDU NKS 46.1538
334 2P4Y C03 46.1538
335 3G9E RO7 46.1538
336 3GZ9 D32 46.1538
337 6AD9 KK4 46.1538
338 3H0A D30 46.1538
339 3B1M KRC 46.1538
340 3FEI CTM 46.1538
341 1ZDT PEF 46.888
342 5UNJ RJW 48.3333
343 1YUC EPH 48.3333
344 1YOK P6L 48.3333
345 1ZDU P3A 48.3333
Pocket No.: 2; Query (leader) PDB : 2YJD; Ligand: YJD; Similar sites found with APoc: 43
This union binding pocket(no: 2) in the query (biounit: 2yjd.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 4DE2 DN3 1.25
2 1GZ4 FUM 1.25
3 5B0W 22B 1.66667
4 3B6C SDN 1.7094
5 4P42 PEE 2.08333
6 3MA0 XYP 2.08333
7 4LZJ 22H 2.5
8 5XDT ZI7 2.5
9 2YPO PHE 2.5
10 3E8T UQ8 2.72727
11 5BQS 4VN 2.91667
12 2GWH PCI 3.33333
13 3LOO B4P 3.33333
14 1GEG GLC 3.33333
15 2AMV BIN 3.33333
16 5MEX SZZ 3.33333
17 1DNP FAD 3.33333
18 4AML GYU 3.50877
19 4OGQ 2WD 4.58333
20 3RMK BML 4.58333
21 4OGQ UMQ 4.58333
22 1Q7E MET 4.58333
23 5C2H 4XU 4.58333
24 2Q2Y MKR 5
25 2Q2Y ADP 5
26 3OID TCL 5
27 3OTH CLJ 5.41667
28 3B99 U51 5.41667
29 4FHT DHB 5.73248
30 3H2K BOG 5.83333
31 4QEK GLC 5.98007
32 5ECP ATP 6.27803
33 5HM3 649 10.4167
34 5NWI TYR PHE SER SEP ASN 10.4167
35 4ORM FMN 10.7232
36 4ORM ORO 10.7232
37 4ORM 2V6 10.7232
38 5KOD IAC 12.0833
39 1XRO LEU 12.0833
40 3LN0 52B 14.1667
41 1OW4 2AN 17.8295
42 2RH1 CLR 26.25
43 5Z84 PGV 41.3043
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