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Receptor
PDB id Resolution Class Description Source Keywords
1YOK 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN LRH-1 BOUND WITH TIF-2 PEPTIDE AND PHOSPHATIDYLGLYCEROL HOMO SAPIENS LRH-1 TIF-1 PHOSPHATIDYLGLYCEROL TRANSCRIPTION
Ref.: STRUCTURAL ANALYSES REVEAL PHOSPHATIDYL INOSITOLS AS LIGANDS FOR THE NR5 ORPHAN RECEPTORS SF-1 AND LRH-1. CELL(CAMBRIDGE,MASS.) V. 120 343 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P6L A:100;
Valid;
none;
submit data
746.991 C40 H75 O10 P CCCCC...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YOK 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN LRH-1 BOUND WITH TIF-2 PEPTIDE AND PHOSPHATIDYLGLYCEROL HOMO SAPIENS LRH-1 TIF-1 PHOSPHATIDYLGLYCEROL TRANSCRIPTION
Ref.: STRUCTURAL ANALYSES REVEAL PHOSPHATIDYL INOSITOLS AS LIGANDS FOR THE NR5 ORPHAN RECEPTORS SF-1 AND LRH-1. CELL(CAMBRIDGE,MASS.) V. 120 343 2005
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 5SYZ - 71W C28 H34 O CCCCCCC1=C....
2 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
3 5L11 - RJW C28 H34 O CCCCCCC1=C....
4 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
5 3PLZ - 470 C28 H35 N CCC/C=C(CC....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 1ZDU - P3A C41 H78 O15 P2 CCCCCCCCCC....
2 5SYZ - 71W C28 H34 O CCCCCCC1=C....
3 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
4 5L11 - RJW C28 H34 O CCCCCCC1=C....
5 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
6 3PLZ - 470 C28 H35 N CCC/C=C(CC....
7 1ZDT - PEF C37 H74 N O8 P CCCCCCCCCC....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 1ZDU - P3A C41 H78 O15 P2 CCCCCCCCCC....
2 5SYZ - 71W C28 H34 O CCCCCCC1=C....
3 4PLE - EPH C39 H68 N O8 P CCCC=CCC=C....
4 5L11 - RJW C28 H34 O CCCCCCC1=C....
5 1YOK - P6L C40 H75 O10 P CCCCCCCCCC....
6 3PLZ - 470 C28 H35 N CCC/C=C(CC....
7 1ZDT - PEF C37 H74 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: P6L; Similar ligands found: 105
No: Ligand ECFP6 Tc MDL keys Tc
1 P6L 1 1
2 OZ2 0.985915 1
3 D3D 0.971429 1
4 PGW 0.971429 1
5 DR9 0.957747 1
6 PGV 0.957747 1
7 PGT 0.842857 0.977778
8 LHG 0.842857 0.977778
9 LOP 0.75641 0.830189
10 6OU 0.75641 0.830189
11 L9Q 0.75641 0.830189
12 P50 0.740741 0.826923
13 CD4 0.739726 0.933333
14 44G 0.736111 0.977778
15 PGK 0.728395 0.916667
16 PCW 0.728395 0.706897
17 D21 0.72 0.913043
18 ZPE 0.716049 0.830189
19 P3A 0.702381 0.956522
20 DGG 0.702381 0.916667
21 B7N 0.670588 0.843137
22 GP7 0.666667 0.830189
23 CN3 0.666667 0.933333
24 PSC 0.651685 0.706897
25 CN6 0.641975 0.933333
26 PEF 0.641026 0.811321
27 8PE 0.641026 0.811321
28 PTY 0.641026 0.811321
29 PEV 0.641026 0.811321
30 PEH 0.641026 0.811321
31 P5S 0.6375 0.826923
32 9PE 0.632911 0.811321
33 PEE 0.632911 0.796296
34 PEK 0.625 0.830189
35 HGP 0.617284 0.689655
36 PLD 0.617284 0.689655
37 LIO 0.617284 0.689655
38 PC7 0.617284 0.689655
39 6PL 0.617284 0.689655
40 HGX 0.617284 0.689655
41 PIE 0.606742 0.788462
42 3PH 0.6 0.891304
43 7PH 0.6 0.891304
44 LPP 0.6 0.891304
45 6PH 0.6 0.891304
46 F57 0.6 0.891304
47 7P9 0.592105 0.891304
48 PX8 0.592105 0.869565
49 PX2 0.592105 0.869565
50 S12 0.588235 0.826923
51 POV 0.58427 0.666667
52 L9R 0.58427 0.666667
53 EPH 0.583333 0.830189
54 OLB 0.581081 0.733333
55 OLC 0.581081 0.733333
56 AGA 0.578313 0.934783
57 XP5 0.573171 0.689655
58 PII 0.564706 0.823529
59 42H 0.563218 0.741379
60 CDL 0.560976 0.847826
61 MVC 0.56 0.733333
62 PD7 0.552632 0.891304
63 T7X 0.552083 0.843137
64 NKP 0.55 0.913043
65 PSF 0.548781 0.826923
66 78M 0.546667 0.733333
67 78N 0.546667 0.733333
68 PIZ 0.544444 0.788462
69 PCK 0.543478 0.655738
70 1O2 0.542553 0.618182
71 3TF 0.536842 0.618182
72 M7U 0.535714 0.891304
73 TGL 0.535211 0.644444
74 PIF 0.534091 0.807692
75 IP9 0.533333 0.788462
76 52N 0.516484 0.807692
77 PIO 0.516484 0.807692
78 3PE 0.511628 0.735849
79 DDR 0.506667 0.688889
80 DGA 0.506667 0.688889
81 FAW 0.506667 0.688889
82 L2C 0.506667 0.688889
83 44E 0.506494 0.891304
84 DLP 0.505155 0.666667
85 1L2 0.5 0.618182
86 PDK 0.495146 0.704918
87 PC1 0.483146 0.649123
88 MC3 0.483146 0.649123
89 PCF 0.483146 0.649123
90 GGD 0.476636 0.625
91 LBR 0.463415 0.638298
92 LAP 0.45977 0.724138
93 LPC 0.45977 0.724138
94 LP3 0.45977 0.724138
95 GYM 0.459459 0.711111
96 1QW 0.459459 0.711111
97 PGM 0.452381 0.913043
98 NKO 0.4375 0.891304
99 NKN 0.4375 0.891304
100 SQD 0.428571 0.630769
101 G2A 0.424658 0.652174
102 2JT 0.424658 0.652174
103 CN5 0.422222 0.913043
104 DGD 0.417476 0.607143
105 OPC 0.401961 0.694915
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YOK; Ligand: P6L; Similar sites found with APoc: 405
This union binding pocket(no: 1) in the query (biounit: 1yok.bio1) has 36 residues
No: Leader PDB Ligand Sequence Similarity
1 2WOR 2AN None
2 5NNT DPV None
3 4V1F BQ1 None
4 4DOL PLM None
5 4RYV ZEA None
6 1VR0 3SL None
7 2WG9 OCA None
8 4RJD TFP None
9 1OW4 2AN None
10 1MDC PLM None
11 5Y79 3PG 1.17188
12 5KAU RHQ 1.21212
13 3W54 RNB 1.5625
14 4QGE 35O 1.5625
15 1OKC CXT 1.5625
16 4K55 H6P 1.6129
17 4HBM 0Y7 1.66667
18 6FS8 E4Z 1.95122
19 5V3Y 5V8 1.95312
20 4F06 PHB 1.95312
21 6MVU K4V 1.95312
22 3X01 AMP 1.95312
23 4RQL SNE 1.95312
24 4G86 BNT 1.95312
25 3H4L ANP 1.95312
26 3KO0 TFP 1.9802
27 4AZP A9M 2.17391
28 5CHR 4NC 2.18978
29 5MTE BB2 2.18978
30 5UC9 MYR 2.21239
31 3E70 GDP 2.34375
32 6CB2 OLC 2.34375
33 4KVL PLM 2.34375
34 3W5N RAM 2.34375
35 1XMY ROL 2.34375
36 2O1V ADP 2.34375
37 1TV5 N8E 2.34375
38 1J78 OLA 2.34375
39 3KB9 BTM 2.34375
40 1XM4 PIL 2.34375
41 1J78 VDY 2.34375
42 1XMU ROF 2.34375
43 3LXI CAM 2.34375
44 5K53 STE 2.34375
45 3LGG CFE 2.34375
46 5G57 6M5 2.34375
47 3LE7 ADE 2.34375
48 6C4A PYR 2.34375
49 3NB0 G6P 2.34375
50 2FN1 PYR 2.34375
51 5AX9 4KT 2.34375
52 1RV1 IMZ 2.35294
53 3AQT RCO 2.44898
54 2BHW NEX 2.58621
55 4O4Z N2O 2.5974
56 3G58 988 2.62467
57 2BHZ MAL 2.65781
58 2F2G HMH 2.71493
59 5UC4 83S 2.72727
60 3O01 DXC 2.73438
61 1I0B PEL 2.73438
62 3ZQE DXC 2.73438
63 3WQM B29 2.73438
64 1YC4 43P 2.73438
65 1SJD NPG 2.73438
66 6BMM OLB 2.73438
67 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 2.73438
68 5HCN DAO 2.73438
69 4JZX 476 2.73438
70 2BP1 FLC 2.73438
71 5Z3I ADE 2.73438
72 4JZB P2H 2.73438
73 4DO1 ANN 2.73438
74 2Q1A 2KT 2.73438
75 4N6H EJ4 2.73438
76 2FDW D3G 2.73438
77 1VG0 GER 2.73438
78 4U0S ADP 2.73438
79 5UR6 8KM 2.76243
80 1XZ3 ICF 2.87356
81 5IM3 DTP 2.90758
82 3NOJ PYR 2.94118
83 4WKI 3PW 2.97872
84 3HOK Q80 3.00429
85 3KYQ DPV 3.01508
86 5KBE IPH 3.05677
87 2AK5 ARG PRO PRO LYS PRO ARG PRO ARG 3.125
88 2UW1 GVM 3.125
89 4UBS DIF 3.125
90 1Q7E MET 3.125
91 5AMC GLY NIY 3.125
92 6CGN DA 3.125
93 1IGW PYR 3.125
94 4IA6 EIC 3.125
95 3ZVS MLI 3.125
96 1FCH TYR GLN SER LYS LEU 3.125
97 4DR9 BB2 3.125
98 1SBR VIB 3.125
99 6GN6 MAL 3.125
100 2BOY BHO 3.14961
101 2C3Q GTX 3.23887
102 3RV5 DXC 3.37079
103 4WGF HX2 3.41463
104 3B6C SDN 3.4188
105 5URY PAM 3.42466
106 5UGW GSH 3.42857
107 4UCC ZKW 3.43348
108 5VRH OLB 3.44828
109 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 3.51562
110 5OLK DTP 3.51562
111 1ZED PNP 3.51562
112 3CHT 4NB 3.51562
113 6D28 NEC 3.51562
114 4LH7 NMN 3.51562
115 2OWZ CIT 3.51562
116 4OKD GLC GLC GLC 3.51562
117 1GZ4 FUM 3.51562
118 3HYW DCQ 3.51562
119 5F5N 5VD 3.51562
120 4WZ6 ATP 3.51562
121 5AZC PGT 3.51562
122 5DT6 GLU 3.51562
123 1ZEI CRS 3.77358
124 3JRS A8S 3.84615
125 5B25 4QJ 3.84615
126 5WRE 7TL 3.87097
127 1TIQ COA 3.88889
128 5IUY BOG 3.90625
129 3ETG GWD 3.90625
130 3AI3 SOE 3.90625
131 2RH1 CLR 3.90625
132 3TKY N7I 3.90625
133 2PX6 DH9 3.90625
134 3I51 45C 3.90625
135 3ETG GTP 3.90625
136 6C1R EFD 3.90625
137 3AI3 SOL 3.90625
138 1UH4 GLC GLC GLC GLC GLC GLC 3.90625
139 2RH1 CAU 3.90625
140 1TMX HGX 3.90625
141 5OM2 DXT 3.90625
142 1FP1 HCC 3.90625
143 3KJD 78P 3.90625
144 5MBC FMN 3.90625
145 5M37 9SZ 3.91304
146 2O5L MNR 3.92157
147 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 3.92157
148 3WBG 2AN 3.92157
149 2PZE ATP 3.93013
150 2CHT TSA 3.93701
151 1GHE ACO 3.9548
152 5C9J DAO 4.0404
153 5WL1 D3D 4.0404
154 5WL1 CUY 4.0404
155 5C9J STE 4.0404
156 6B04 C6J 4.10557
157 1RL4 BL5 4.25532
158 6EYT NDG 4.29688
159 1Q19 SSC 4.29688
160 1GQY ACP 4.29688
161 5LNW HG3 4.43038
162 5ZBL AMP 4.4335
163 5XJ7 87O 4.47761
164 1HBK MYR 4.49438
165 3UWB BB2 4.54545
166 4P3H 25G 4.66321
167 5OSW DIU 4.6875
168 3GFZ FMN 4.6875
169 3B99 U51 4.6875
170 5KOR GDP 4.6875
171 5A4W QCT 4.71698
172 3BU1 HSM 4.72973
173 5LX9 OLB 5.07812
174 1ZPD CIT 5.07812
175 2D09 FLV 5.07812
176 2VWT PYR 5.07812
177 2HZL PYR 5.07812
178 6FHQ DE5 5.17241
179 5MOB A8S 5.17241
180 1N5S ADL 5.35714
181 4RC8 STE 5.40541
182 1FX8 BOG 5.46875
183 4C9G CXT 5.46875
184 5JO1 6LM 5.46875
185 4DS8 A8S 5.46875
186 4WVO 3UZ 5.46875
187 2X5F PLP 5.46875
188 2PSJ CEI 5.46875
189 3V1S 0LH 5.46875
190 5OCA 9QZ 5.55556
191 6BJO DUY 5.6
192 5MWE TCE 5.71429
193 4ZGM 32M 5.7377
194 3B9Z CO2 5.85938
195 3RLF MAL 5.85938
196 2OZ5 7XY 5.85938
197 4MRP GSH 5.85938
198 3R9V DXC 5.85938
199 4L9Z OXL 5.85938
200 3BRE C2E 5.85938
201 3BJC WAN 5.85938
202 3D78 NBB 5.88235
203 6BR8 6OU 5.95238
204 6BR8 PGV 5.95238
205 1R55 097 6.07477
206 5V4R MGT 6.17284
207 5CX6 CDP 6.25
208 5CX8 TG6 6.25
209 1N6B DMZ 6.25
210 6BXO SAH 6.25
211 4NTO 1PW 6.28019
212 4OIC A8S 6.28019
213 2GBB CIT 6.41026
214 4I90 CHT 6.64062
215 4URX FK1 6.64062
216 1Q3A NGH 6.66667
217 5G48 1FL 6.95187
218 3EYK EYK 6.97674
219 2VOH CIT 7.00637
220 4DE3 DN8 7.03125
221 5W3Y IHP 7.03125
222 6DIO CIT 7.03125
223 5W3X IHP 7.03125
224 2GWH PCI 7.04698
225 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 7.11297
226 6BVJ EAS 7.18563
227 4RHP PEF 7.23404
228 5FH7 5XL 7.25806
229 4E70 N7I 7.42188
230 5Y02 HBX 7.47664
231 5Y02 MXN 7.47664
232 3KU0 ADE 7.56972
233 3GQT UFO 7.8125
234 3SQG TP7 7.8125
235 4F4S EFO 7.89474
236 6BR9 6OU 8.07799
237 6BR9 PGV 8.07799
238 1T0S BML 8.20312
239 1GNI OLA 8.20312
240 3G4G D71 8.20312
241 4XCP PLM 8.23529
242 6GMN F4E 8.24742
243 4OKZ 3E9 8.59375
244 2XN3 ID8 8.59375
245 2XN5 FUN 8.59375
246 2JFN UMA 8.59375
247 4DD8 BAT 8.65385
248 1KNY KAN 8.69565
249 1L0I PSR 8.97436
250 6BVK EAV 8.98204
251 6BVM EBV 8.98204
252 6D59 FVJ 8.98204
253 6D5L FW7 8.98204
254 6BVI EC4 8.98204
255 6BVL EBY 8.98204
256 6D5M FW4 8.98204
257 6D5J FV4 8.98204
258 6D5E FVG 8.98204
259 2QJY UQ2 8.98438
260 2CB8 MYA 9.1954
261 5LWY OLB 9.34579
262 3TDC 0EU 9.375
263 1XVB 3BR 9.375
264 4V3I ASP LEU THR ARG PRO 9.375
265 2IDO TMP 9.63855
266 6DND PLP 9.76562
267 4INW 1EY 10
268 5F5R ANP 10.084
269 5A8E XTK 10.1587
270 4WUJ FMN 10.2041
271 3GWN FAD 10.5263
272 5MWY YNU 10.5469
273 5L7G 6QE 10.9375
274 4UDB CV7 10.9375
275 4V2O CLQ 10.9756
276 3NMV PYV 11.236
277 2BCG GER 11.6505
278 5L8N 6RQ 11.7188
279 4GBD MCF 11.7188
280 2YLD CMO 11.811
281 3ZPG 5GP 12.1094
282 3N7S 3N7 12.5
283 3SAO DBH 12.5
284 1H70 CIR 12.9412
285 2D5X L35 13.0137
286 1NF8 BOG 13.0435
287 1AUA BOG 13.2812
288 1X0P FAD 13.2867
289 1IZC PYR 13.6719
290 3KC1 2T6 14.0625
291 3ZIA ADP 14.2857
292 5C1M OLC 14.4
293 5C1M 4VO 14.4
294 5YAK YOF 15.2344
295 1DTL BEP 15.528
296 5W7B MYR 16.3121
297 5HCV 60R 16.4062
298 2A3I C0R 16.6008
299 4DXJ 0M9 16.7969
300 3RMK BML 16.8675
301 3PMD 11A 16.9935
302 3TL1 JRO 17.6101
303 3KPE TM3 17.6471
304 5I8F ML1 18.7879
305 1H0A I3P 18.9873
306 4AIG FLX 19.9005
307 5TVI MYR 20.6522
308 5TVI O8N 20.6522
309 5M36 9SZ 21.0526
310 3RY9 1CA 21.2
311 6BK3 UDP 21.4286
312 2Q1H AS4 21.4844
313 2Y69 CHD 21.6495
314 5UFS 1TA 21.7742
315 2VWA PTY 21.7822
316 4G8R 96P 21.875
317 5HZ9 5M8 22.2222
318 4LSJ LSJ 22.2656
319 5XNA SHV 22.4638
320 1NHZ 486 22.6562
321 1TW4 CHD 23.2
322 5Z84 CHD 24.7059
323 5ZCO CHD 24.7059
324 5W97 CHD 24.7059
325 5Z84 PGV 24.7059
326 5ZCO PEK 24.7059
327 2DYR PGV 24.7059
328 5ZCO PGV 24.7059
329 3SP6 IL2 25
330 3ET1 ET1 25
331 2NPA MMB 25
332 3JZB 4HY 25
333 3KDU NKS 25
334 1K7L 544 25
335 2P54 735 25
336 5UC1 486 25.2252
337 1N46 PFA 25.3906
338 4OGQ UMQ 26.4706
339 4OGQ 7PH 26.4706
340 5TWO 7MV 26.9531
341 2PRG BRL 26.9531
342 3FUR Z12 26.9531
343 2HFP NSI 26.9531
344 3BQD DAY 27.3438
345 5BVT PAM 28.3582
346 5OKL PAM 28.5714
347 5NTW 98N 28.7938
348 1SR7 MOF 29.6875
349 4OAR 2S0 29.6875
350 5APK 76E 30.0781
351 5NTP 98E 31.0924
352 5IXK 6EW 31.5789
353 2AX9 BHM 32.0312
354 3V49 PK0 32.0312
355 4REF 3N0 32.4219
356 3RET PYR 32.6733
357 3RET SAL 32.6733
358 6FX0 E9T 33.5938
359 4S15 4D8 33.9844
360 1M13 HYF 33.9844
361 4Q0A 4OA 35.1562
362 5LGA 6VH 35.1562
363 5E7V M7E 35.1562
364 5NM7 GLY 35.7143
365 3KFC 61X 37.1094
366 3VRV YSD 37.5
367 2O4J VD4 37.5
368 5K13 6Q7 38.2114
369 3BEJ MUF 38.6555
370 1YYE 196 39.0625
371 4DM8 REA 39.0625
372 5WGD EST 39.8438
373 5DX3 EST 39.8438
374 5HYR EST 39.8438
375 5WGQ EST 39.8438
376 5DXE EST 39.8438
377 5DXG EST 39.8438
378 4MG7 27H 40
379 4MG8 27J 40
380 4MGD 27N 40
381 4MG9 27K 40
382 4MGA 27L 40
383 4MGB XDH 40
384 4TUZ 36J 40
385 3UUD EST 40.6375
386 3UU7 2OH 40.6375
387 3UUA 0CZ 40.6375
388 4TV1 36M 40.6375
389 4OIV XX9 41.1504
390 6ESN BWE 41.6667
391 3IPQ 965 42.1875
392 1KUK PCA LYS TRP 42.8571
393 2DPY ADP 42.8571
394 1POC GEL 42.8571
395 4C1M NIH 42.8571
396 2R40 EPH 44.1406
397 2R40 20E 44.1406
398 3KMZ EQO 45.7031
399 3KMR EQN 45.7031
400 2I0G I0G 45.7031
401 1U3R 338 48.1328
402 3OLL EST 48.3333
403 4J26 EST 48.3333
404 4J24 EST 48.3333
405 2YJD YJD 48.3333
406 2HHP FLC 50
407 5N26 CPT 50
408 2OBM ADP 50
409 3VVY ET 50
410 6FBA D48 50
411 4ARE FLC 50
412 5IKR ID8 50
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