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Receptor
PDB id Resolution Class Description Source Keywords
1ZDT 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE THE CRYSTAL STRUCTURE OF HUMAN STEROIDOGENIC FACTOR-1 HOMO SAPIENS STEROIDOGENIC FACTOR-1 NUCLEAR RECEPTOR PHOLPHOLIPID PHOSPHATIDYLETHANOLAMINE 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
PEF A:1001;
B:1002;
Valid;
Valid;
none;
none;
submit data
691.959 C37 H74 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1ZDT 2.1 Å NON-ENZYME: TRANSCRIPT_TRANSLATE THE CRYSTAL STRUCTURE OF HUMAN STEROIDOGENIC FACTOR-1 HOMO SAPIENS STEROIDOGENIC FACTOR-1 NUCLEAR RECEPTOR PHOLPHOLIPID PHOSPHATIDYLETHANOLAMINE 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 1ZDT - PEF C37 H74 N O8 P 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: PEF; Similar ligands found: 95
No: Ligand ECFP6 Tc MDL keys Tc
1 8PE 1 1
2 PEH 1 1
3 PEF 1 1
4 PTY 1 1
5 PEV 1 1
6 9PE 0.983051 1
7 LOP 0.865672 0.980769
8 L9Q 0.865672 0.980769
9 6OU 0.865672 0.980769
10 ZPE 0.814286 0.980769
11 HGX 0.80303 0.793103
12 HGP 0.80303 0.793103
13 6PL 0.80303 0.793103
14 PLD 0.80303 0.793103
15 LIO 0.80303 0.793103
16 PC7 0.80303 0.793103
17 PEE 0.8 0.980769
18 GP7 0.773333 0.980769
19 PEK 0.77027 0.980769
20 CD4 0.769231 0.823529
21 P5S 0.75 0.90566
22 PGT 0.746269 0.826923
23 XP5 0.746269 0.793103
24 LHG 0.746269 0.826923
25 3PH 0.714286 0.788462
26 F57 0.714286 0.788462
27 LPP 0.714286 0.788462
28 6PH 0.714286 0.788462
29 7PH 0.714286 0.788462
30 PCW 0.706667 0.779661
31 PX2 0.703125 0.769231
32 7P9 0.703125 0.788462
33 PX8 0.703125 0.769231
34 PCK 0.688312 0.754098
35 CN3 0.684932 0.823529
36 PGW 0.657895 0.811321
37 D3D 0.657895 0.811321
38 PII 0.657534 0.706897
39 CN6 0.657534 0.823529
40 PD7 0.65625 0.788462
41 P50 0.653846 0.90566
42 DR9 0.649351 0.811321
43 PGV 0.649351 0.811321
44 EPH 0.647059 0.980769
45 PSC 0.646341 0.779661
46 PSF 0.642857 0.90566
47 PGK 0.641026 0.781818
48 P6L 0.641026 0.811321
49 44G 0.637681 0.826923
50 8ND 0.636364 0.730769
51 CDL 0.633803 0.75
52 OZ2 0.632911 0.811321
53 D21 0.625 0.773585
54 M7U 0.625 0.788462
55 PIF 0.618421 0.694915
56 DGG 0.617284 0.781818
57 3PE 0.616438 0.884615
58 PIZ 0.607595 0.706897
59 PC1 0.6 0.724138
60 MC3 0.6 0.724138
61 PCF 0.6 0.724138
62 44E 0.6 0.788462
63 PIO 0.594937 0.694915
64 52N 0.594937 0.694915
65 IP9 0.594937 0.706897
66 B7N 0.585366 0.694915
67 PDK 0.577778 0.833333
68 AGA 0.565789 0.792453
69 FAW 0.553846 0.607843
70 L2C 0.553846 0.607843
71 DDR 0.553846 0.607843
72 DGA 0.553846 0.607843
73 PIE 0.541176 0.65
74 T7X 0.539326 0.694915
75 POV 0.535714 0.711864
76 L9R 0.535714 0.711864
77 LP3 0.533333 0.827586
78 LAP 0.533333 0.827586
79 LPC 0.533333 0.827586
80 P3A 0.523256 0.777778
81 NKO 0.492754 0.788462
82 NKN 0.492754 0.788462
83 42H 0.47619 0.813559
84 DLP 0.472527 0.711864
85 CN5 0.468354 0.843137
86 S12 0.447059 0.87037
87 43Y 0.445946 0.758621
88 PC5 0.443038 0.645161
89 NKP 0.435897 0.773585
90 GEL 0.421687 0.942308
91 3PC 0.421687 0.706897
92 PCJ 0.413793 0.672414
93 PGM 0.410256 0.773585
94 DB4 0.407407 0.644068
95 PBU 0.404762 0.644068
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1ZDT; Ligand: PEF; Similar sites found with APoc: 259
This union binding pocket(no: 1) in the query (biounit: 1zdt.bio3) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 5XNA SHV None
2 3TL1 JRO None
3 2YLD CMO None
4 5NNT DPV None
5 1ZEI CRS None
6 4O4Z N2O None
7 1H0A I3P None
8 2F2G HMH None
9 1TUK PGM None
10 2Q4X HMH None
11 1J1R ADE None
12 1MT1 AG2 None
13 2F62 12M None
14 2WOR 2AN None
15 6FBA D48 None
16 3V2Q PLM None
17 1QCI ADE None
18 2RH1 CAU 0.829876
19 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 1.24481
20 4I90 CHT 1.24481
21 1RL4 BL5 1.59574
22 3O01 DXC 1.65975
23 3HYW DCQ 1.65975
24 4QEK GLC 1.65975
25 5F5N 5VD 1.7301
26 2VWA PTY 1.9802
27 1A05 IPM 2.07469
28 1VJ7 GPX 2.07469
29 2NW9 FT6 2.07469
30 6BR8 6OU 2.07469
31 1NC4 DOF 2.07469
32 1NC2 DOE 2.07469
33 5OCA 9QZ 2.07469
34 6DIO CIT 2.07469
35 6BR8 PGV 2.07469
36 3B99 U51 2.07469
37 2E7F C2F 2.07469
38 3RV5 DXC 2.24719
39 5UGW GSH 2.28571
40 4WGF HX2 2.43902
41 3E70 GDP 2.48963
42 1XMY ROL 2.48963
43 1TO9 HMH 2.48963
44 2VDY HCY 2.48963
45 2GWH PCI 2.48963
46 3G58 988 2.48963
47 2QCX PF1 2.48963
48 2OZ5 7XY 2.7027
49 3AQT RCO 2.85714
50 4NTO 1PW 2.89855
51 1NF8 BOG 2.89855
52 4OIC A8S 2.89855
53 5W7B MYR 2.90456
54 1FX8 BOG 2.90456
55 4X8D AVI 2.90456
56 4A7W GTP 2.91667
57 2GJ5 VD3 3.08642
58 1DTL BEP 3.10559
59 5TVI MYR 3.26087
60 5J32 IPM 3.3195
61 3ZQE DXC 3.3195
62 5OSW DIU 3.3195
63 1TV5 N8E 3.3195
64 5C1M OLC 3.3195
65 6MVU K4V 3.3195
66 3LE7 ADE 3.3195
67 5KLP IHP 3.3195
68 4WX0 HXD 3.42205
69 3G4Q MCH 3.42466
70 5UC9 MYR 3.53982
71 1Q3A NGH 3.63636
72 4RW3 PLM 3.64238
73 4RW3 TDA 3.64238
74 4G86 BNT 3.73444
75 3BRE C2E 3.73444
76 3W5N RAM 3.73444
77 3TKY N7I 3.73444
78 3GON PMV 3.73444
79 3W54 RNB 3.73444
80 2X05 X05 4.14938
81 1BRW URA 4.14938
82 2A1L PCW 4.44444
83 1N8V BDD 4.46429
84 4F06 PHB 4.56432
85 5Z3I ADE 4.56432
86 3R9V DXC 4.56432
87 5WJ6 B4A 4.56432
88 5IM3 DTP 4.56432
89 3HX3 RET 4.56432
90 3NJQ NJQ 4.66321
91 5Y02 HBX 4.6729
92 5Y02 MXN 4.6729
93 3WUR O4B 4.67836
94 4WKI 3PW 4.68085
95 2BHW NEX 4.74138
96 5M37 9SZ 4.78261
97 5M36 9SZ 4.80349
98 4DD8 BAT 4.80769
99 2OWZ CIT 4.97925
100 4UBS DIF 4.97925
101 5DRB 5FJ 4.97925
102 3KYQ DPV 5.02513
103 5N1X 8HH 5.08475
104 2WDQ CBE 5.21739
105 3PMD 11A 5.22876
106 2BCG GER 5.33981
107 5HCN DAO 5.36398
108 3TDC 0EU 5.39419
109 6CGN DA 5.39419
110 2QES ADE 5.39419
111 4E70 N7I 5.41237
112 4IBF 1D5 5.42636
113 1OW4 2AN 5.42636
114 5MIL DUP 5.44554
115 2D4V FLC 5.80913
116 3LGG CFE 5.80913
117 3EYK EYK 5.81395
118 2HJ9 AI2 5.88235
119 3KO0 TFP 5.94059
120 4IN9 SER TRP PHE PRO 6.0241
121 5WL1 D3D 6.06061
122 5WL1 CUY 6.06061
123 5C9J DAO 6.06061
124 4DS8 A8S 6.2201
125 1GVE CIT 6.22407
126 3A76 SPD 6.25
127 1L0I PSR 6.41026
128 1SBR VIB 6.5
129 4MRP GSH 6.639
130 5NTW 98N 6.639
131 6ESN BWE 6.639
132 3GXO MQA 6.639
133 3DWB RDF 6.639
134 5APK 76E 6.639
135 5NTP 98E 6.72269
136 1T0S BML 6.97674
137 5IXK 6EW 7.01754
138 4DE3 DN8 7.05394
139 1NP0 NGT 7.05394
140 3KDU NKS 7.46888
141 2BP1 FLC 7.46888
142 3SP6 IL2 7.46888
143 3ET1 ET1 7.46888
144 1K7L 544 7.46888
145 2NPA MMB 7.46888
146 2P54 735 7.46888
147 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 7.88382
148 2CB8 MYA 8.04598
149 2HZL PYR 8.29876
150 3RMK BML 8.43373
151 1XZ3 ICF 8.62069
152 5MWE TCE 8.64198
153 2UW1 GVM 8.71369
154 4V3I ASP LEU THR ARG PRO 8.71369
155 2Y2B AH0 9.09091
156 5HX1 UMP 9.42029
157 6BVI EC4 9.54357
158 6BVK EAV 9.54357
159 6BVM EBV 9.54357
160 6BVL EBY 9.54357
161 1AFS TES 9.54357
162 6BVJ EAS 9.54357
163 4URX FK1 9.54357
164 1JOC ITP 9.6
165 3OGN 3OG 9.67742
166 3VVY ET 9.95851
167 3RLF MAL 9.95851
168 1I06 TZL 10
169 3KU0 ADE 10.3734
170 5LX9 OLB 10.7884
171 5LWY OLB 10.7884
172 5IUY BOG 11.2033
173 1HBK MYR 11.236
174 4DOL PLM 11.5207
175 6GMN F4E 11.5385
176 6CB2 OLC 11.6183
177 2VPY PCI 11.6183
178 4QGE 35O 12.0332
179 1MID LAP 12.0879
180 3KB9 BTM 12.8631
181 5A4W QCT 13.6792
182 2Y69 CHD 13.9535
183 4DVE BTN 14.1079
184 5Z84 CHD 14.1176
185 5ZCO CHD 14.1176
186 5W97 CHD 14.1176
187 4F4S EFO 14.4737
188 2I74 MAN MAN MAN MAN 14.9378
189 4AIG FLX 15.7676
190 5N8V KZZ 20.2899
191 4OGQ 7PH 20.6897
192 4OGQ UMQ 20.6897
193 4OGQ 2WD 20.6897
194 4LSJ LSJ 22.8216
195 3BQD DAY 22.8216
196 3N7S 3N7 22.9167
197 1NHZ 486 23.2365
198 5UFS 1TA 23.6515
199 5MWY YNU 24.0664
200 2A3I C0R 24.0664
201 5HCV 60R 24.0664
202 3RY9 1CA 24.0664
203 5L7G 6QE 24.4813
204 4UDB CV7 24.4813
205 5UC1 486 24.7748
206 2Q1H AS4 26.1411
207 2AX9 BHM 26.556
208 4S15 4D8 26.556
209 3V49 PK0 26.556
210 3IPQ 965 31.1203
211 4DM8 REA 32.2097
212 6FX0 E9T 32.7801
213 4OIV XX9 32.7801
214 5OKL PAM 33.3333
215 5KOD IAC 33.3333
216 1SR7 MOF 33.61
217 4OAR 2S0 33.61
218 3KMR EQN 34.4398
219 1M13 HYF 34.4398
220 5K13 6Q7 34.4398
221 3KMZ EQO 34.4398
222 5LGA 6VH 34.8548
223 5E7V M7E 34.8548
224 4Q0A 4OA 34.8548
225 3KFC 61X 36.0996
226 5L2R MLA 36.0996
227 3FUR Z12 36.5145
228 5TWO 7MV 36.5145
229 3G9E RO7 36.9295
230 2PRG BRL 36.9295
231 3VRV YSD 39.834
232 5U97 PIT 41.6667
233 2I0G I0G 46.888
234 3OLL EST 46.888
235 2YJD YJD 46.888
236 1U3R 338 46.888
237 1YYE 196 46.888
238 4J26 EST 46.888
239 4J24 EST 46.888
240 1RDT L79 47.3029
241 3FAL REA 47.3029
242 3FAL LO2 47.3029
243 1RDT 570 47.3029
244 6A5Y 9CR 47.8992
245 4MG9 27K 48.5477
246 3UU7 2OH 48.5477
247 3UUA 0CZ 48.5477
248 4MG7 27H 48.5477
249 4MGB XDH 48.5477
250 4TUZ 36J 48.5477
251 4MG8 27J 48.5477
252 3UUD EST 48.5477
253 4MGD 27N 48.5477
254 4MGA 27L 48.5477
255 4TV1 36M 48.5477
256 3H0A 9RA 49.1228
257 2R40 EPH 49.3776
258 5DXE EST 49.3776
259 5DXG EST 49.3776
260 1KUK PCA LYS TRP 50
261 4FBL SPD 50
262 5KDX GAL TNR 50
Pocket No.: 2; Query (leader) PDB : 1ZDT; Ligand: PEF; Similar sites found with APoc: 45
This union binding pocket(no: 2) in the query (biounit: 1zdt.bio3) has 28 residues
No: Leader PDB Ligand Sequence Similarity
1 4RJD TFP None
2 5I8F ML1 None
3 3E3U NVC 1.01523
4 1ON3 DXX 1.65975
5 1QV1 CZH 2.05128
6 1R55 097 2.33645
7 4LA7 A1O 2.90456
8 1NOW IFG 2.90456
9 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 2.94118
10 1TZD ADP 3.3195
11 1TV5 A26 3.3195
12 1DS6 GDP 3.33333
13 5L8N 6RQ 3.90625
14 3HP9 CF1 4.14938
15 1WW5 SGA BGC 4.375
16 5HZ9 5M8 4.44444
17 2HFK E4H 4.56432
18 4XDA RIB 4.56432
19 4P3H 25G 4.66321
20 1WUB OTP 5.39419
21 1DZK PRZ 5.73248
22 4BVM PLM 6.01504
23 4BVM VCA 6.01504
24 1T9D 1MM 6.22407
25 4OB6 S2T 6.22407
26 4DHL 0K7 6.22407
27 3UXL CFI 6.639
28 4WVO 3UZ 7.18232
29 3WBG 2AN 7.18954
30 2Z4T LBT 7.46888
31 1XVB 3BR 7.46888
32 4ZGM 32M 8.19672
33 5DO8 BGC 8.29876
34 3D78 NBB 8.40336
35 3BJC WAN 8.71369
36 2CDC XYS 9.54357
37 1ZOY UQ1 9.54357
38 2D5X L35 10.7884
39 4ZJS 4P0 14.5228
40 5WS9 ATP 14.9378
41 5EFW FMN 15
42 3BEJ MUF 32.3651
43 3G5N PB2 41.6667
44 5FPN KYD 41.6667
45 2R40 20E 49.3776
Pocket No.: 3; Query (leader) PDB : 1ZDT; Ligand: PEF; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1zdt.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1ZDT; Ligand: PEF; Similar sites found with APoc: 10
This union binding pocket(no: 4) in the query (biounit: 1zdt.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
1 3RET SAL None
2 2VVM PRO 2.48963
3 4RQL SNE 2.48963
4 4J25 OGA 4.80349
5 5EEH P9P 6.91489
6 4JYM KKN 7.05394
7 5EK3 5PK 8.29876
8 5V4R MGT 12.8631
9 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 24.4813
10 5A86 D7E 34.4398
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