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...
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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 257 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 222 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 185 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: 85
No: Ligand ECFP6 Tc MDL keys Tc
1 PEV 1 1
2 PEF 1 1
3 8PE 1 1
4 PTY 1 1
5 PEH 1 1
6 9PE 0.983051 1
7 L9Q 0.865672 0.980769
8 LOP 0.865672 0.980769
9 ZPE 0.814286 0.980769
10 HGX 0.80303 0.793103
11 PLD 0.80303 0.793103
12 LIO 0.80303 0.793103
13 HGP 0.80303 0.793103
14 6PL 0.80303 0.793103
15 PC7 0.80303 0.793103
16 PEE 0.8 0.980769
17 GP7 0.773333 0.980769
18 PEK 0.77027 0.980769
19 CD4 0.769231 0.823529
20 P5S 0.75 0.90566
21 LHG 0.746269 0.826923
22 XP5 0.746269 0.793103
23 PGT 0.746269 0.826923
24 3PH 0.714286 0.788462
25 LPP 0.714286 0.788462
26 6PH 0.714286 0.788462
27 7PH 0.714286 0.788462
28 PCW 0.706667 0.779661
29 PX2 0.703125 0.769231
30 7P9 0.703125 0.788462
31 PCK 0.688312 0.754098
32 CN3 0.684932 0.823529
33 PGW 0.657895 0.811321
34 CN6 0.657534 0.823529
35 PII 0.657534 0.706897
36 PD7 0.65625 0.788462
37 PGV 0.649351 0.811321
38 DR9 0.649351 0.811321
39 EPH 0.647059 0.980769
40 PSC 0.646341 0.779661
41 PSF 0.642857 0.90566
42 P6L 0.641026 0.811321
43 PGK 0.641026 0.781818
44 44G 0.637681 0.826923
45 8ND 0.636364 0.730769
46 CDL 0.633803 0.75
47 OZ2 0.632911 0.811321
48 M7U 0.625 0.788462
49 PIF 0.618421 0.694915
50 DGG 0.617284 0.781818
51 3PE 0.616438 0.884615
52 PIZ 0.607595 0.706897
53 MC3 0.6 0.724138
54 44E 0.6 0.788462
55 PC1 0.6 0.724138
56 PCF 0.6 0.724138
57 52N 0.594937 0.694915
58 IP9 0.594937 0.706897
59 PIO 0.594937 0.694915
60 B7N 0.585366 0.694915
61 PDK 0.577778 0.833333
62 AGA 0.565789 0.792453
63 DGA 0.553846 0.607843
64 DDR 0.553846 0.607843
65 L2C 0.553846 0.607843
66 PIE 0.541176 0.65
67 T7X 0.539326 0.694915
68 L9R 0.535714 0.711864
69 LAP 0.533333 0.827586
70 LP3 0.533333 0.827586
71 LPC 0.533333 0.827586
72 P3A 0.523256 0.777778
73 NKN 0.492754 0.788462
74 42H 0.47619 0.813559
75 DLP 0.472527 0.711864
76 CN5 0.468354 0.843137
77 S12 0.447059 0.87037
78 PC5 0.443038 0.645161
79 NKP 0.435897 0.773585
80 3PC 0.421687 0.706897
81 GEL 0.421687 0.942308
82 PCJ 0.413793 0.672414
83 PGM 0.410256 0.773585
84 DB4 0.407407 0.644068
85 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: 122
This union binding pocket(no: 1) in the query (biounit: 1zdt.bio3) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5XNA SHV 0.003589 0.46225 None
2 3TL1 JRO 0.007734 0.43806 None
3 4RJD TFP 0.006777 0.43492 None
4 1H0A I3P 0.01735 0.42245 None
5 3E3U NVC 0.0179 0.40307 1.01523
6 5F5N 5VD 0.004244 0.43722 1.7301
7 1QV1 CZH 0.003363 0.4002 2.05128
8 1VJ7 GPX 0.003246 0.45587 2.07469
9 1A05 IPM 0.01963 0.41977 2.07469
10 1NC2 DOE 0.01865 0.41801 2.07469
11 5OCA 9QZ 0.02553 0.40143 2.07469
12 3RV5 DXC 0.00002978 0.52364 2.24719
13 1R55 097 0.02799 0.40448 2.33645
14 4X8D AVI 0.006264 0.42866 2.90456
15 2NNJ 225 0.03052 0.40253 2.90456
16 4LA7 A1O 0.005021 0.40245 2.90456
17 4A7W GTP 0.03261 0.41231 2.91667
18 1TV5 N8E 0.02196 0.42646 3.3195
19 1TZD ADP 0.01611 0.42199 3.3195
20 1TV5 A26 0.01592 0.41302 3.3195
21 3LE7 ADE 0.03598 0.40247 3.3195
22 3G4Q MCH 0.02287 0.40143 3.42466
23 5UC9 MYR 0.01026 0.42694 3.53982
24 4RW3 PLM 0.0312 0.43295 3.64238
25 4RW3 TDA 0.02997 0.41556 3.64238
26 3BRE C2E 0.006061 0.44775 3.73444
27 5L8N 6RQ 0.03422 0.402 3.90625
28 2X05 X05 0.01557 0.40963 4.14938
29 3HP9 CF1 0.03865 0.40881 4.14938
30 5HZ9 5M8 0.004233 0.42145 4.44444
31 2HFK E4H 0.02553 0.41066 4.56432
32 4DD8 BAT 0.03174 0.40563 4.80769
33 4UBS DIF 0.03271 0.40535 4.97925
34 3KYQ DPV 0.002097 0.46783 5.02513
35 5N1X 8HH 0.00004149 0.57642 5.08475
36 2QES ADE 0.02224 0.42069 5.39419
37 3TDC 0EU 0.03409 0.4012 5.39419
38 1DZK PRZ 0.002595 0.43885 5.73248
39 4BVM PLM 0.004979 0.41161 6.01504
40 4BVM VCA 0.005943 0.40525 6.01504
41 4IN9 SER TRP PHE PRO 0.01716 0.4207 6.0241
42 5L2J 6UL 0.008227 0.41952 6.12245
43 5L2J 70E 0.0088 0.41952 6.12245
44 4DHL 0K7 0.03628 0.40093 6.22407
45 4MRP GSH 0.01801 0.43727 6.639
46 5NTW 98N 0.0005787 0.41967 6.639
47 5APJ 76E 0.001984 0.41575 6.639
48 5IXK 6EW 0.001522 0.43739 7.01754
49 4ZOM 4Q3 0.005579 0.4313 7.11111
50 4WVO 3UZ 0.001097 0.42281 7.18232
51 3WBG 2AN 0.007894 0.41632 7.18954
52 3KDU NKS 0.0003003 0.46961 7.46888
53 3SP6 IL2 0.0004503 0.46486 7.46888
54 1K7L 544 0.0005275 0.43858 7.46888
55 2Z4T LBT 0.006714 0.43479 7.46888
56 2NPA MMB 0.001916 0.4294 7.46888
57 2P54 735 0.001514 0.42039 7.46888
58 3ET1 ET1 0.0005542 0.40928 7.46888
59 2CB8 MYA 0.0175 0.42313 8.04598
60 4V3I ASP LEU THR ARG PRO 0.03864 0.40608 8.71369
61 5HX1 UMP 0.04066 0.40137 9.42029
62 1ZOY UQ1 0.04182 0.40014 9.54357
63 3OGN 3OG 0.01753 0.40011 9.67742
64 3VVY ET 0.005107 0.40215 9.95851
65 1I06 TZL 0.01288 0.42638 10
66 3KU0 ADE 0.01872 0.42228 10.3734
67 3KB9 BTM 0.005344 0.42422 12.8631
68 2Y69 CHD 0.01141 0.42762 13.9535
69 5EFW FMN 0.01046 0.40388 15
70 4LSJ LSJ 0.00001475 0.47077 22.8216
71 3BQD DAY 0.00003756 0.45503 22.8216
72 3N7S 3N7 0.02607 0.41836 22.9167
73 5UFS 1TA 0.00004129 0.49592 23.6515
74 2A3I C0R 0.00002511 0.51001 24.0664
75 3RY9 1CA 0.00008054 0.50346 24.0664
76 5HCV 60R 0.00005604 0.50003 24.0664
77 4UDB CV7 0.000006506 0.51926 24.4813
78 5L7G 6QE 0.000001024 0.51896 24.4813
79 2Q1H AS4 0.0001387 0.48765 26.1411
80 4S15 4D8 0.001265 0.43712 26.556
81 5GIC DLC 0.002028 0.41537 31.9502
82 4DM8 REA 0.0002029 0.43657 32.2097
83 3BEJ MUF 0.003061 0.41737 32.3651
84 5KOD IAC 0.01015 0.42375 33.3333
85 1SR7 MOF 0.000271 0.45294 33.61
86 4OAR 2S0 0.00009876 0.4405 33.61
87 3KMR EQN 0.001808 0.43794 34.4398
88 1M13 HYF 0.001218 0.42698 34.4398
89 3KMZ EQO 0.002256 0.41059 34.4398
90 5K13 6Q7 0.0009407 0.40949 34.4398
91 5A86 D7E 0.02259 0.40929 34.4398
92 5E7V M7E 0.0005693 0.43712 34.8548
93 3KFC 61X 0.0004952 0.44396 36.0996
94 5TWO 7MV 0.0008051 0.44948 36.5145
95 3FUR Z12 0.001453 0.43893 36.5145
96 2PRG BRL 0.002917 0.43248 36.9295
97 3G9E RO7 0.005926 0.40206 36.9295
98 3VRV YSD 0.00129 0.44303 39.834
99 1U3R 338 0.00000243 0.57266 46.888
100 2YJD YJD 0.00001981 0.53733 46.888
101 3OLL EST 0.000001197 0.48573 46.888
102 1YYE 196 0.000007267 0.45365 46.888
103 4J26 EST 0.000007341 0.44594 46.888
104 4J24 EST 0.0000163 0.43823 46.888
105 1RDT L79 0.00008806 0.49145 47.3029
106 1RDT 570 0.0003884 0.44744 47.3029
107 3FAL LO2 0.0004463 0.44432 47.3029
108 4MGB XDH 0.0000001706 0.62516 48.5477
109 4TUZ 36J 0.0000007568 0.61967 48.5477
110 4MG7 27H 0.0000003171 0.61291 48.5477
111 4MG8 27J 0.000001761 0.59381 48.5477
112 3UUD EST 0.000003809 0.57787 48.5477
113 4MGD 27N 0.000006049 0.56832 48.5477
114 3UU7 2OH 0.00004146 0.55716 48.5477
115 4MG9 27K 0.00006656 0.54638 48.5477
116 3UUA 0CZ 0.0001152 0.51986 48.5477
117 4MGA 27L 0.005895 0.43966 48.5477
118 3H0A 9RA 0.00004333 0.44782 49.1228
119 5DXE EST 0.000005131 0.57172 49.3776
120 5DXG EST 0.000007997 0.56985 49.3776
121 2R40 EPH 0.000002867 0.51647 49.3776
122 2R40 20E 0.005391 0.4012 49.3776
123 4FBL SPD 0.02742 0.40494 50
Pocket No.: 2; Query (leader) PDB : 1ZDT; Ligand: PEF; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1zdt.bio3) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1ZDT; Ligand: PEF; Similar sites found: 26
This union binding pocket(no: 3) in the query (biounit: 1zdt.bio1) has 27 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1RL4 BL5 0.02546 0.40839 1.59574
2 4QEK GLC 0.01336 0.42225 1.65975
3 2VWA PTY 0.0105 0.44228 1.9802
4 1NC4 DOF 0.01184 0.42398 2.07469
5 5UGW GSH 0.0001719 0.53899 2.28571
6 5EHR 5OD 0.01199 0.41378 2.48963
7 1NF8 BOG 0.01523 0.4337 2.89855
8 2GJ5 VD3 0.004857 0.41168 3.08642
9 5KLP IHP 0.02101 0.4056 3.3195
10 4WX0 HXD 0.01106 0.40807 3.42205
11 2A1L PCW 0.008964 0.40658 4.44444
12 3R9V DXC 0.01739 0.41107 4.56432
13 4WKI 3PW 0.01432 0.41002 4.68085
14 5HCN DAO 0.02836 0.40691 5.36398
15 4RL0 3S0 0.01143 0.42311 5.78512
16 4DS8 A8S 0.009326 0.4152 6.2201
17 5AWV GHP 3MY 3FG GHP GHP OMY 3FG NAG MAN 0.04629 0.40863 7.88382
18 2Y2B AH0 0.03637 0.40154 9.09091
19 4DOL PLM 0.008487 0.40987 11.5207
20 1NHZ 486 0.00048 0.42774 23.2365
21 2AX9 BHM 0.0008898 0.4457 26.556
22 3V49 PK0 0.003395 0.40243 26.556
23 3IPQ 965 0.000154 0.43699 31.1203
24 2PJL 047 0.001014 0.41053 41.4938
25 2I0G I0G 0.00003338 0.5161 46.888
26 1XIU REA 0.00004599 0.44363 48.2609
27 5KDX GAL TNR 0.04531 0.40034 50
Pocket No.: 4; Query (leader) PDB : 1ZDT; Ligand: PEF; Similar sites found: 5
This union binding pocket(no: 4) in the query (biounit: 1zdt.bio2) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RQL SNE 0.01427 0.41674 2.48963
2 3GXO MQA 0.02127 0.40788 6.639
3 5IR4 ZPE 0.00763 0.41125 7.05394
4 3D78 NBB 0.01512 0.41079 8.40336
5 5V4R MGT 0.02834 0.41205 12.8631
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