-->
Receptor
PDB id Resolution Class Description Source Keywords
4QJR 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN NUCLEAR RECEPTOR SF-1 (NR5A1) BOU HORMONE PIP3 AT 2.4 A RESOLUTION HOMO SAPIENS NUCLEAR HORMONE RECEPTOR NR5A1 SF-1 LIGAND BINDINGNUCLEAR REGULATORY LIGANDS TRANSCRIPTION TRANSCRIPTION REGULATIONSTRUCTURAL GENOMICS JOINT CENTER FOR STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE PSI-BIOLOGY PARTNERSHIP FOR BIOLOGY PIP3 PIP2 NUCLEUS NUCLEAR PHOSPHATIDYLINOSITOL PHOSPHATES TRANSCRIPTION FACTOR-HORMONE COMPLEX STEMCELL
Ref.: THE SIGNALING PHOSPHOLIPID PIP3 CREATES A NEW INTER SURFACE ON THE NUCLEAR RECEPTOR SF-1. PROC.NATL.ACAD.SCI.USA V. 111 15054 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ACT A:502;
A:503;
 Invalid;
Invalid;
 none;
none;
 submit data
59.044 C2 H3 O2 CC(=O...
PIZ A:501;
 Valid;
 none;
 Kd = 80 nM
1050.97 C41 H82 O22 P4 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QJR 2.4 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF HUMAN NUCLEAR RECEPTOR SF-1 (NR5A1) BOU HORMONE PIP3 AT 2.4 A RESOLUTION HOMO SAPIENS NUCLEAR HORMONE RECEPTOR NR5A1 SF-1 LIGAND BINDINGNUCLEAR REGULATORY LIGANDS TRANSCRIPTION TRANSCRIPTION REGULATIONSTRUCTURAL GENOMICS JOINT CENTER FOR STRUCTURAL GENOMICS PROTEIN STRUCTURE INITIATIVE PSI-BIOLOGY PARTNERSHIP FOR BIOLOGY PIP3 PIP2 NUCLEUS NUCLEAR PHOSPHATIDYLINOSITOL PHOSPHATES TRANSCRIPTION FACTOR-HORMONE COMPLEX STEMCELL
Ref.: THE SIGNALING PHOSPHOLIPID PIP3 CREATES A NEW INTER SURFACE ON THE NUCLEAR RECEPTOR SF-1. PROC.NATL.ACAD.SCI.USA V. 111 15054 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 291 families.
1 4QJR Kd = 80 nM PIZ C41 H82 O22 P4 CCCCCCCCCC....
2 3F7D - P42 C42 H88 N O8 P CCCCCCCCCC....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 247 families.
1 5UNJ Kd = 0.24 uM RJW C28 H34 O CCCCCCC1=C....
2 4QJR Kd = 80 nM PIZ C41 H82 O22 P4 CCCCCCCCCC....
3 3F7D - P42 C42 H88 N O8 P CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 209 families.
1 5UNJ Kd = 0.24 uM RJW C28 H34 O CCCCCCC1=C....
2 4QJR Kd = 80 nM PIZ C41 H82 O22 P4 CCCCCCCCCC....
3 3F7D - P42 C42 H88 N O8 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PIZ; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 PIZ 1 1
2 IP9 0.985507 1
3 52N 0.851351 0.979592
4 PIO 0.851351 0.979592
5 PIF 0.810811 0.979592
6 PII 0.783784 0.959184
7 B7N 0.719512 0.94
8 PBU 0.632911 0.918367
9 7PH 0.630137 0.875
10 LPP 0.630137 0.875
11 3PH 0.630137 0.875
12 6PH 0.630137 0.875
13 F57 0.630137 0.875
14 T7X 0.626374 0.94
15 7P9 0.621622 0.875
16 CD4 0.615385 0.836735
17 PTY 0.607595 0.706897
18 8PE 0.607595 0.706897
19 PEV 0.607595 0.706897
20 PEH 0.607595 0.706897
21 PEF 0.607595 0.706897
22 HGP 0.604938 0.655738
23 PC7 0.604938 0.655738
24 HGX 0.604938 0.655738
25 LIO 0.604938 0.655738
26 6PL 0.604938 0.655738
27 PLD 0.604938 0.655738
28 P5S 0.604938 0.719298
29 PX2 0.6 0.816327
30 9PE 0.6 0.706897
31 PX8 0.6 0.816327
32 PGT 0.6 0.803922
33 PEE 0.6 0.694915
34 LHG 0.6 0.803922
35 PIB 0.592593 0.918367
36 5P5 0.592593 0.918367
37 DB4 0.582278 0.918367
38 PD7 0.581081 0.875
39 D21 0.580247 0.857143
40 LOP 0.563218 0.694915
41 L9Q 0.563218 0.694915
42 6OU 0.563218 0.694915
43 PCW 0.561798 0.645161
44 XP5 0.560976 0.655738
45 M7U 0.560976 0.875
46 PIE 0.56044 0.882353
47 CN3 0.55814 0.836735
48 4PT 0.55814 0.9
49 D3D 0.556818 0.788462
50 PGW 0.556818 0.788462
51 DR9 0.550562 0.788462
52 PGV 0.550562 0.788462
53 P6L 0.544444 0.788462
54 TGL 0.542857 0.604167
55 P50 0.538462 0.719298
56 OZ2 0.538462 0.788462
57 CN6 0.534884 0.836735
58 44E 0.533333 0.875
59 ZPE 0.533333 0.694915
60 PCK 0.532609 0.625
61 CDL 0.53012 0.76
62 PGK 0.527473 0.759259
63 DGG 0.526882 0.826923
64 PC1 0.523256 0.616667
65 PCF 0.523256 0.616667
66 MC3 0.523256 0.616667
67 PSC 0.520833 0.645161
68 PSF 0.518072 0.719298
69 3PE 0.517647 0.637931
70 GP7 0.515789 0.694915
71 44G 0.512195 0.803922
72 PEK 0.494737 0.694915
73 POV 0.489362 0.606557
74 L9R 0.489362 0.606557
75 PDK 0.485437 0.621212
76 AGA 0.477273 0.769231
77 3PI 0.477273 0.918367
78 L2C 0.473684 0.612245
79 DDR 0.473684 0.612245
80 FAW 0.473684 0.612245
81 DGA 0.473684 0.612245
82 1O2 0.469388 0.672727
83 DGD 0.464646 0.690909
84 3TF 0.464646 0.672727
85 P3A 0.463918 0.754717
86 EPH 0.451923 0.694915
87 SQD 0.447917 0.703125
88 DLP 0.435644 0.606557
89 1L2 0.433962 0.672727
90 GGD 0.427273 0.678571
91 NKO 0.425 0.836735
92 NKN 0.425 0.836735
93 LPC 0.41573 0.66129
94 LAP 0.41573 0.66129
95 LP3 0.41573 0.66129
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4QJR; Ligand: PIZ; Similar sites found with APoc: 238
This union binding pocket(no: 1) in the query (biounit: 4qjr.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5XNA SHV None
2 4O4Z N2O None
3 5NNT DPV None
4 1ZEI CRS None
5 3TL1 JRO None
6 4RJD TFP None
7 5I8F ML1 None
8 1TUK PGM None
9 3RET PYR None
10 3RET SAL None
11 1J1R ADE None
12 2WOR 2AN None
13 2F62 12M None
14 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.22449
15 1RL4 BL5 1.59574
16 3O01 DXC 1.63265
17 3HYW DCQ 1.63265
18 5XJ7 87O 1.63265
19 1B74 DGN 1.63265
20 5F5N 5VD 1.7301
21 2VWA PTY 1.9802
22 2YLD CMO 2.04082
23 5OCA 9QZ 2.04082
24 6BR8 6OU 2.04082
25 1A05 IPM 2.04082
26 1NC4 DOF 2.04082
27 6BR8 PGV 2.04082
28 6DIO CIT 2.04082
29 1NC2 DOE 2.04082
30 5CX8 TG6 2.04082
31 4IA6 EIC 2.04082
32 5UGW GSH 2.28571
33 1OGX EQU 2.29008
34 1R55 097 2.33645
35 2YIV YIV 2.44898
36 2GWH PCI 2.44898
37 3W54 RNB 2.44898
38 4RQL SNE 2.44898
39 1TO9 HMH 2.44898
40 1XMY ROL 2.44898
41 2VDY HCY 2.44898
42 3G58 988 2.44898
43 4X8D AVI 2.85714
44 4WGF HX2 2.85714
45 1ZED PNP 2.85714
46 4NTO 1PW 2.89855
47 1NF8 BOG 2.89855
48 4OIC A8S 2.89855
49 4A7W GTP 2.91667
50 2OZ5 7XY 3.04054
51 5TVI O8N 3.26087
52 5LX9 OLB 3.26531
53 5C1M OLC 3.26531
54 1TV5 N8E 3.26531
55 5OSW DIU 3.26531
56 3AQT RCO 3.26531
57 5U97 PIT 3.26531
58 3ZQE DXC 3.26531
59 1WMA AB3 3.26531
60 5C1M 4VO 3.26531
61 5J32 IPM 3.26531
62 5KLP IHP 3.26531
63 4N6H EJ4 3.26531
64 5C1M CLR 3.26531
65 5UC9 MYR 3.53982
66 5W7B MYR 3.5461
67 1Q3A NGH 3.63636
68 4RW3 PLM 3.64238
69 3RV5 DXC 3.67347
70 4G86 BNT 3.67347
71 3NJQ NJQ 3.67347
72 5OLK DTP 4.08163
73 1BRW URA 4.08163
74 5OKL PAM 4.08163
75 5N0F 7K2 4.08163
76 3JRS A8S 4.32692
77 1N8V BDD 4.46429
78 4F06 PHB 4.4898
79 5IM3 DTP 4.4898
80 5Y02 HBX 4.6729
81 5Y02 MXN 4.6729
82 4WKI 3PW 4.68085
83 2BHW NEX 4.74138
84 5M37 9SZ 4.78261
85 5M36 9SZ 4.80349
86 4DD8 BAT 4.80769
87 2OWZ CIT 4.89796
88 4UBS DIF 4.89796
89 1QVJ RP5 4.89796
90 1ZOY UQ1 4.89796
91 1C9K 5GP 5
92 3KYQ DPV 5.02513
93 2GBB CIT 5.12821
94 1PCA VAL 5.30612
95 6CGN DA 5.30612
96 3TDC 0EU 5.30612
97 4M51 BEZ 5.30612
98 2BCG GER 5.33981
99 3LGG CFE 5.71429
100 1DZK PRZ 5.73248
101 3EYK EYK 5.81395
102 3KO0 TFP 5.94059
103 4IN9 SER TRP PHE PRO 6.0241
104 5WL1 D3D 6.06061
105 5WL1 CUY 6.06061
106 5C9J DAO 6.06061
107 1GVE CIT 6.12245
108 2PX6 DH9 6.12245
109 4DS8 A8S 6.2201
110 1TW4 CHD 6.4
111 1KUK PCA LYS TRP 6.40394
112 1SBR VIB 6.5
113 5NTW 98N 6.53061
114 6ESN BWE 6.53061
115 3GXO MQA 6.53061
116 5NTP 98E 6.72269
117 4DE3 DN8 6.93878
118 1T0S BML 6.97674
119 5IXK 6EW 7.01754
120 3WBG 2AN 7.18954
121 3KDU NKS 7.34694
122 3ET1 ET1 7.34694
123 1K7L 544 7.34694
124 2NPA MMB 7.34694
125 5LWY OLB 7.47664
126 1J78 VDY 7.7551
127 2CB8 MYA 8.04598
128 4ZGM 32M 8.19672
129 3UP3 XCA 8.23045
130 3RMK BML 8.43373
131 2UW1 GVM 8.57143
132 3BJC WAN 8.57143
133 4V3I ASP LEU THR ARG PRO 8.57143
134 5MWE TCE 8.64198
135 6BVK EAV 9.38776
136 6BVM EBV 9.38776
137 4URX FK1 9.38776
138 2CDC XYS 9.38776
139 6BVL EBY 9.38776
140 6BVI EC4 9.38776
141 6BVJ EAS 9.38776
142 1JOC ITP 9.6
143 3RLF MAL 9.79592
144 3VVY ET 9.79592
145 1I06 TZL 10
146 3KU0 ADE 10.2041
147 2D5X L35 10.6122
148 5IUY BOG 11.0204
149 1HBK MYR 11.236
150 6CB2 OLC 11.4286
151 6GMN F4E 11.5385
152 4QGE 35O 11.8367
153 1MID LAP 12.0879
154 5Z3I ADE 12.6531
155 1DTL BEP 13.0612
156 5A4W QCT 13.6792
157 4JHG ZEA 13.6905
158 5CHR 4NC 13.8686
159 2Y69 CHD 13.9535
160 5Z84 CHD 14.1176
161 5W97 CHD 14.1176
162 5ZCO CHD 14.1176
163 5N26 CPT 14.2857
164 4ZJS 4P0 14.2857
165 4AIG FLX 15.5102
166 4S15 4D8 20.4082
167 4OGQ 7PH 20.6897
168 4OGQ UMQ 20.6897
169 4OGQ 2WD 20.6897
170 4P6X HCY 21.6327
171 4LSJ LSJ 21.6327
172 3BQD DAY 21.6327
173 1M2Z BOG 21.6327
174 4P6W MOF 21.6327
175 1M2Z DEX 21.6327
176 1NHZ 486 21.6327
177 5G5W R8C 22.8571
178 3N7S 3N7 22.9167
179 3FEI CTM 23.0769
180 3GN8 DEX 23.2653
181 3RY9 1CA 23.2653
182 5UFS 1TA 23.2653
183 5MWY YNU 23.6735
184 2A3I C0R 23.6735
185 5HCV 60R 23.6735
186 5UC1 486 23.8739
187 5L7G 6QE 24.0816
188 4UDB CV7 24.0816
189 2Q1H AS4 25.7143
190 2AX9 BHM 26.1224
191 3V49 PK0 26.1224
192 4E2J MOF 29.7959
193 3IPQ 965 30.6122
194 5ICK FEZ 31.8367
195 4DM8 REA 32.2097
196 6FX0 E9T 32.2449
197 4OAR 2S0 33.0612
198 3KMZ EQO 33.8776
199 1M13 HYF 33.8776
200 3KMR EQN 33.8776
201 5K13 6Q7 33.8776
202 4DK7 0KS 33.8776
203 5LGA 6VH 34.2857
204 4Q0A 4OA 34.2857
205 5E7V M7E 34.2857
206 1SR7 MOF 34.6939
207 3KFC 61X 35.5102
208 3FUR Z12 36.3265
209 3L0E G58 36.7347
210 2PRG BRL 36.7347
211 3G9E RO7 36.7347
212 3VRV YSD 43.6735
213 3OLL EST 46.1224
214 4J24 EST 46.1224
215 2I0G I0G 46.1224
216 1YYE 196 46.1224
217 2YJD YJD 46.1224
218 1U3R 338 46.1224
219 4J26 EST 46.1224
220 3UUD EST 46.9388
221 3UUA 0CZ 46.9388
222 5DXE EST 47.7551
223 5DXG EST 47.7551
224 3UU7 2OH 47.7551
225 4MG9 27K 47.7551
226 4MG7 27H 47.7551
227 4MGB XDH 47.7551
228 4TV1 36M 47.7551
229 4TUZ 36J 47.7551
230 4MGD 27N 47.7551
231 4MG8 27J 47.7551
232 4MGA 27L 47.7551
233 2R40 EPH 48.5714
234 2R40 20E 48.5714
235 5DX3 EST 49.7959
236 5WGD EST 49.7959
237 5WGQ EST 49.7959
238 5HYR EST 49.7959
239 3H0A 9RA 50
240 6A5Y 9CR 50
241 6AP6 TLF 50
242 5AZC PGT 50
243 5MOB A8S 50
APoc FAQ
Feedback