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Receptor
PDB id Resolution Class Description Source Keywords
1ZDU 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE THE CRYSTAL STRUCTURE OF HUMAN LIVER RECEPTOR HOMOLOGUE-1 HOMO SAPIENS LIVER RECEPTOR HOMOLOGUE-1 LRH-1 NUCLEAR RECEPTOR PHOSPHOPHOSPHATIDYLETHANOLAMINE TRANSCRIPTION
Ref.: THE CRYSTAL STRUCTURES OF HUMAN STEROIDOGENIC FACTO LIVER RECEPTOR HOMOLOGUE-1 PROC.NATL.ACAD.SCI.USA V. 102 7505 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P3A A:101;
Valid;
none;
submit data
872.997 C41 H78 O15 P2 CCCCC...
TRS A:103;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZDU 2.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE THE CRYSTAL STRUCTURE OF HUMAN LIVER RECEPTOR HOMOLOGUE-1 HOMO SAPIENS LIVER RECEPTOR HOMOLOGUE-1 LRH-1 NUCLEAR RECEPTOR PHOSPHOPHOSPHATIDYLETHANOLAMINE TRANSCRIPTION
Ref.: THE CRYSTAL STRUCTURES OF HUMAN STEROIDOGENIC FACTO LIVER RECEPTOR HOMOLOGUE-1 PROC.NATL.ACAD.SCI.USA V. 102 7505 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 1ZDU - P3A C41 H78 O15 P2 CCCCCCCCCC....
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: P3A; Similar ligands found: 98
No: Ligand ECFP6 Tc MDL keys Tc
1 P3A 1 1
2 CDL 0.794521 0.888889
3 AGA 0.763158 0.977778
4 PGV 0.731707 0.956522
5 DR9 0.731707 0.956522
6 PGW 0.719512 0.956522
7 D3D 0.719512 0.956522
8 OZ2 0.714286 0.956522
9 P6L 0.702381 0.956522
10 POV 0.694118 0.696429
11 L9R 0.694118 0.696429
12 D21 0.670886 0.87234
13 PIE 0.659091 0.823529
14 6OU 0.627907 0.796296
15 L9Q 0.627907 0.796296
16 LOP 0.627907 0.796296
17 PGM 0.623377 0.955556
18 3PE 0.621951 0.769231
19 ZPE 0.613636 0.796296
20 LHG 0.609756 0.934783
21 PGT 0.609756 0.934783
22 PCW 0.606742 0.706897
23 DLP 0.602151 0.696429
24 PX8 0.589744 0.869565
25 PX2 0.589744 0.869565
26 PCF 0.588235 0.678571
27 PC1 0.588235 0.678571
28 MC3 0.588235 0.678571
29 CD4 0.585366 0.891304
30 P50 0.582418 0.792453
31 B7N 0.576087 0.807692
32 GP7 0.574468 0.796296
33 OLB 0.558442 0.733333
34 OLC 0.558442 0.733333
35 MVC 0.558442 0.733333
36 7PH 0.556962 0.851064
37 LPP 0.556962 0.851064
38 F57 0.556962 0.851064
39 6PH 0.556962 0.851064
40 3PH 0.556962 0.851064
41 7P9 0.55 0.851064
42 PSC 0.546392 0.706897
43 PGK 0.537634 0.877551
44 CN3 0.533333 0.891304
45 NKP 0.53012 0.87234
46 78M 0.525641 0.733333
47 78N 0.525641 0.733333
48 44G 0.52381 0.934783
49 PEV 0.523256 0.777778
50 8PE 0.523256 0.777778
51 PTY 0.523256 0.777778
52 PEH 0.523256 0.777778
53 PEF 0.523256 0.777778
54 DGG 0.520833 0.877551
55 PEK 0.520833 0.796296
56 3TF 0.520408 0.618182
57 9PE 0.517241 0.777778
58 TGL 0.513514 0.644444
59 PD7 0.5125 0.851064
60 CN6 0.511111 0.891304
61 1O2 0.510204 0.618182
62 HGX 0.505618 0.689655
63 PC7 0.505618 0.689655
64 6PL 0.505618 0.689655
65 LIO 0.505618 0.689655
66 PLD 0.505618 0.689655
67 P5S 0.505618 0.792453
68 HGP 0.505618 0.689655
69 EPH 0.504854 0.796296
70 PEE 0.5 0.796296
71 M7U 0.5 0.851064
72 42H 0.494624 0.741379
73 FAW 0.487179 0.688889
74 L2C 0.487179 0.688889
75 DGA 0.487179 0.688889
76 DDR 0.487179 0.688889
77 PII 0.478261 0.788462
78 T7X 0.475728 0.807692
79 1L2 0.471698 0.618182
80 44E 0.469136 0.851064
81 S12 0.468085 0.792453
82 XP5 0.466667 0.689655
83 PIZ 0.463918 0.754717
84 GGD 0.463636 0.625
85 IP9 0.453608 0.754717
86 PIF 0.452632 0.773585
87 PCK 0.45 0.655738
88 LBR 0.447059 0.638298
89 1QW 0.441558 0.711111
90 GYM 0.441558 0.711111
91 PIO 0.438776 0.773585
92 52N 0.438776 0.773585
93 PSF 0.428571 0.792453
94 NKN 0.421687 0.851064
95 NKO 0.421687 0.851064
96 G2A 0.407895 0.652174
97 2JT 0.407895 0.652174
98 SQD 0.401961 0.606061
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZDU; Ligand: P3A; Similar sites found with APoc: 301
This union binding pocket(no: 1) in the query (biounit: 1zdu.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5NNT DPV None
2 5N8V KZZ None
3 5KAU RHQ None
4 4DOL PLM None
5 3AQT RCO None
6 4V1F BQ1 None
7 2WG9 OCA None
8 1N8V BDD None
9 1BWO LPC None
10 1VR0 3SL None
11 6BK3 UDP 1.22449
12 1T3D CYS 1.22449
13 4QGE 35O 1.63265
14 1A05 IPM 1.63265
15 3W54 RNB 1.63265
16 3COW 52H 1.63265
17 3KO0 TFP 1.9802
18 4G86 BNT 2.04082
19 3W68 PBU 2.04082
20 2JC9 ADN 2.04082
21 3GXO MQA 2.04082
22 1ZOY UQ1 2.04082
23 5CHR 4NC 2.18978
24 1RV1 IMZ 2.35294
25 1TV5 N8E 2.44898
26 2HHP FLC 2.44898
27 4KVL PLM 2.44898
28 1ZED PNP 2.44898
29 1ZPD CIT 2.44898
30 3LE7 ADE 2.44898
31 4RW3 PLM 2.44898
32 4IA6 EIC 2.44898
33 2OHV NHL 2.44898
34 3W5N RAM 2.44898
35 1MRH FMC 2.44898
36 2BHW NEX 2.58621
37 3G58 988 2.62467
38 3O01 DXC 2.85714
39 3WQM B29 2.85714
40 1ZGA HMK 2.85714
41 4C1M NIH 2.85714
42 2BP1 FLC 2.85714
43 5Z3I ADE 2.85714
44 1I0B PEL 2.85714
45 1YKD CMP 2.85714
46 3ZQE DXC 2.85714
47 5KLP IHP 2.85714
48 1XZ3 ICF 2.87356
49 3NOJ PYR 2.94118
50 1XMY ROL 3.26531
51 2UW1 GVM 3.26531
52 4F06 PHB 3.26531
53 1XM4 PIL 3.26531
54 1J78 OLA 3.26531
55 1XMU ROF 3.26531
56 2QES ADE 3.26531
57 6CGN DA 3.26531
58 1J78 VDY 3.26531
59 3CH6 NAP 3.26531
60 3CH6 311 3.26531
61 2Z9I GLY ALA THR VAL 3.26531
62 2C3Q GTX 3.26531
63 1Q7E MET 3.26531
64 5JWC 4W0 3.26531
65 2V5K OXM 3.26531
66 4UBS DIF 3.26531
67 3RV5 DXC 3.37079
68 4WGF HX2 3.41463
69 3B6C SDN 3.4188
70 5URY PAM 3.42466
71 5UGW GSH 3.42857
72 5UC9 MYR 3.53982
73 3TDC 0EU 3.54331
74 5OKL PAM 3.67347
75 4LH7 NMN 3.67347
76 3HYW DCQ 3.67347
77 3HP9 CF1 3.67347
78 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 3.67347
79 5OLK DTP 3.67347
80 4WZ6 ATP 3.67347
81 2GK6 ADP 3.67347
82 5AZC PGT 3.67347
83 4WX0 HXD 3.67347
84 4MNS 2AX 3.77358
85 1ZEI CRS 3.77358
86 3JRS A8S 3.84615
87 5M37 9SZ 3.91304
88 2O5L MNR 3.92157
89 2PZE ATP 3.93013
90 2CHT TSA 3.93701
91 3KDJ A8S 3.9604
92 5C9J DAO 4.0404
93 3ETG GWD 4.08163
94 5IUY BOG 4.08163
95 4X8D AVI 4.08163
96 3G4G D71 4.08163
97 1TIQ COA 4.08163
98 2C91 TLA 4.08163
99 4DP3 MMV 4.08163
100 1J3I NDP 4.08163
101 4DP3 NDP 4.08163
102 3PE2 E1B 4.08163
103 1RL4 BL5 4.25532
104 5ZBL AMP 4.4335
105 5XJ7 87O 4.47761
106 1XQP 8HG 4.4898
107 2YKX AKG 4.4898
108 1GQY ACP 4.4898
109 2XXP DSL 4.4898
110 5MW4 5JU 4.4898
111 1HBK MYR 4.49438
112 5LXB 7A9 4.54545
113 3ZJQ NCA 4.61538
114 1X8D RNS 4.80769
115 3B6O TMP 4.8583
116 4MRP GSH 4.89796
117 4O08 PO6 4.89796
118 5OSW DIU 4.89796
119 3NRR D16 4.89796
120 3E3U NVC 5.07614
121 5MOB A8S 5.17241
122 2HZL PYR 5.30612
123 2VWT PYR 5.30612
124 3R9C ECL 5.30612
125 2PSJ CEI 5.30612
126 5D4V YGP 5.30612
127 5CX6 CDP 5.30612
128 2D09 FLV 5.30612
129 3HUJ AGH 5.30612
130 5OCA 9QZ 5.55556
131 5LNW HG3 5.71429
132 5MWE TCE 5.71429
133 4WVO 3UZ 5.71429
134 4DS8 A8S 5.71429
135 4WBD CIT 5.71429
136 5LNW RP5 5.71429
137 2WPX ACO 5.71429
138 6B04 C6J 5.71429
139 4L80 OXL 5.71429
140 5JO1 6LM 5.71429
141 4URN NOV 5.77778
142 6BR8 6OU 6.12245
143 2AWN ADP 6.12245
144 2O1O RIS 6.12245
145 3RLF MAL 6.12245
146 3BRE C2E 6.12245
147 5LX9 OLB 6.12245
148 5EW9 5VC 6.12245
149 5V4R MGT 6.17284
150 4NTO 1PW 6.28019
151 4OIC A8S 6.28019
152 2CIG 1DG 6.28931
153 2GBB CIT 6.41026
154 5NM7 GLY 6.53061
155 1N6B DMZ 6.53061
156 5CX8 RP3 6.53061
157 5DNU KKN 6.53061
158 1MID LAP 6.59341
159 4I90 CHT 6.93878
160 5A0U CHT 6.93878
161 2VOH CIT 7.00637
162 1NXJ TLA 7.10383
163 4DE3 DN8 7.34694
164 1BRW URA 7.34694
165 5W3Y IHP 7.34694
166 2WPF FAD 7.34694
167 5Y02 HBX 7.47664
168 5Y02 MXN 7.47664
169 3KU0 ADE 7.7551
170 5A96 GTP 7.7551
171 5M8T 0TR 7.7551
172 3V66 D3A 7.7551
173 2VDY HCY 7.7551
174 5G48 1FL 8.16327
175 6CEP OXM 8.16327
176 3WUR O4B 8.18713
177 6GMN F4E 8.24742
178 1T0S BML 8.57143
179 4V3I ASP LEU THR ARG PRO 8.57143
180 1T9D 1MM 8.57143
181 5WKC PXD 8.57143
182 1GNI OLA 8.57143
183 4YDQ ANP 8.57143
184 2VVM PRO 8.97959
185 1UH4 GLC GLC GLC GLC GLC GLC 8.97959
186 2JFN UMA 8.97959
187 2XN3 ID8 8.97959
188 4WES HCA 9.38776
189 5TSH ADP 9.38776
190 1VBH PEP 9.38776
191 2IDO TMP 9.63855
192 1TUV VK3 9.64912
193 1XVB 3BR 9.79592
194 2NNQ T4B 9.92366
195 5E5U MLI 10.0503
196 1B4N GUA 10.2041
197 2NW9 FT6 10.2041
198 4LA7 A1O 10.3627
199 6CB2 OLC 10.6122
200 1P7T PYR 10.6122
201 5DCH 1YO 10.9375
202 5MWY YNU 11.0204
203 5HCV 60R 11.0204
204 2A3I C0R 11.0204
205 3NMV PYV 11.236
206 1U72 NDP 11.2903
207 1U72 MTX 11.2903
208 5L7G 6QE 11.4286
209 4UDB CV7 11.4286
210 5IM3 DTP 11.4286
211 1U25 IHS 11.4286
212 1CEN BGC BGC 11.4286
213 2BCG GER 11.6505
214 2YLD CMO 11.811
215 3VVY ET 11.8557
216 4LAE 1VM 11.976
217 4LAE NAP 11.976
218 6BR9 6OU 12.2449
219 3N7S 3N7 12.5
220 3ZPG 5GP 12.6531
221 1NF8 BOG 13.0435
222 1AUA BOG 13.8776
223 5LWY OLB 14.0187
224 3ZIA ADP 14.2857
225 5C1M OLC 14.4
226 5C1M CLR 14.4
227 4L9Z OXL 14.6939
228 3QUZ QUV 15.1515
229 5W7B MYR 16.3121
230 6FBA D48 16.3265
231 1LOX RS7 16.3265
232 3PMD 11A 16.9935
233 1DTL BEP 17.3913
234 1YHM AHD 17.551
235 4DXJ 0M9 17.551
236 3TL1 JRO 17.6101
237 3WBG 2AN 19.6078
238 5TVI MYR 20.6522
239 5M36 9SZ 21.0526
240 3RY9 1CA 21.6327
241 2Q1H AS4 21.6327
242 2Y69 CHD 21.6495
243 2VWA PTY 21.7822
244 5UFS 1TA 22.0408
245 5HZ9 5M8 22.2222
246 5XNA SHV 22.4638
247 5Z84 CHD 24.7059
248 5ZCO CHD 24.7059
249 5W97 CHD 24.7059
250 3KDU NKS 26.1224
251 3SP6 IL2 26.1224
252 3ET1 ET1 26.1224
253 2NPA MMB 26.1224
254 1K7L 544 26.1224
255 4OGQ 7PH 26.4706
256 3G9E RO7 28.1633
257 5TWO 7MV 28.1633
258 2PRG BRL 28.1633
259 4LSJ LSJ 28.9796
260 1NHZ 486 29.3878
261 5NTW 98N 30.2041
262 1SR7 MOF 31.0204
263 4OAR 2S0 31.0204
264 5NTP 98E 31.0924
265 5APK 76E 31.4286
266 5IXK 6EW 31.5789
267 2AX9 BHM 33.4694
268 3V49 PK0 33.4694
269 3KFC 61X 34.6939
270 3IPQ 965 36.3265
271 1M13 HYF 36.3265
272 5A86 D7E 36.3265
273 5LGA 6VH 36.7347
274 5E7V M7E 36.7347
275 3KMR EQN 38.3673
276 3VRV YSD 39.1837
277 2I0G I0G 40.4082
278 1YYE 196 40.4082
279 1U3R 338 41.0788
280 3UU7 2OH 41.6327
281 4MG9 27K 41.6327
282 3UUA 0CZ 41.6327
283 4MG7 27H 41.6327
284 4TUZ 36J 41.6327
285 4MG8 27J 41.6327
286 5WGD EST 41.6327
287 3UUD EST 41.6327
288 5DXE EST 41.6327
289 5WGQ EST 41.6327
290 4MGA 27L 41.6327
291 5DX3 EST 41.6327
292 4MGB XDH 41.6327
293 4TV1 36M 41.6327
294 5HYR EST 41.6327
295 5DXG EST 41.6327
296 4MGD 27N 41.6327
297 2R40 EPH 46.1224
298 4J26 EST 48.3333
299 4J24 EST 48.3333
300 2YJD YJD 48.3333
301 3OLL EST 48.75
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