Receptor
PDB id Resolution Class Description Source Keywords
1YP0 1.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF THE STEROIDOGENIC FACTOR-1 LIGAND BINDING DOMAIN BOUND TO PHOSPHOLIPID AND A SHP PEPTIDE MOTIF MUS MUSCULUS LIGAND DEPENDENT NUCLEAR RECEPTOR STEROIDOGENIC FACTOR-1 NR5A1 HELICAL SANDWICH FOLD LBD FOLD TRANSCRIPTION
Ref.: CRYSTALLOGRAPHIC IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF PHOSPHOLIPIDS AS LIGANDS FOR THE ORPHAN NUCLEAR RECEPTOR STEROIDOGENIC FACTOR-1. MOL.CELL V. 17 491 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PEF A:201;
Valid;
none;
ic50 = 100 nM
691.959 C37 H74 N O8 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YP0 1.5 Å NON-ENZYME: TRANSCRIPT_TRANSLATE STRUCTURE OF THE STEROIDOGENIC FACTOR-1 LIGAND BINDING DOMAIN BOUND TO PHOSPHOLIPID AND A SHP PEPTIDE MOTIF MUS MUSCULUS LIGAND DEPENDENT NUCLEAR RECEPTOR STEROIDOGENIC FACTOR-1 NR5A1 HELICAL SANDWICH FOLD LBD FOLD TRANSCRIPTION
Ref.: CRYSTALLOGRAPHIC IDENTIFICATION AND FUNCTIONAL CHARACTERIZATION OF PHOSPHOLIPIDS AS LIGANDS FOR THE ORPHAN NUCLEAR RECEPTOR STEROIDOGENIC FACTOR-1. MOL.CELL V. 17 491 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 1YP0 ic50 = 100 nM PEF C37 H74 N O8 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 222 families.
1 1YP0 ic50 = 100 nM PEF C37 H74 N O8 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 1YP0 ic50 = 100 nM 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 : 1YP0; Ligand: PEF; Similar sites found: 109
This union binding pocket(no: 1) in the query (biounit: 1yp0.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4RJD TFP 0.02177 0.40191 None
2 2NYR SVR 0.04394 0.40428 0.83682
3 3HYW DCQ 0.004356 0.45 1.25523
4 3TL1 JRO 0.01108 0.42383 1.88679
5 2VWA PTY 0.006078 0.4504 1.9802
6 3LE7 ADE 0.01631 0.41616 2.09205
7 3RV5 DXC 0.001049 0.43251 2.24719
8 1MRH FMC 0.008024 0.43109 2.51046
9 2VDY HCY 0.0164 0.41848 2.51046
10 2QES ADE 0.01883 0.41739 2.51046
11 1XMY ROL 0.01454 0.41326 2.51046
12 3RGZ BLD 0.01132 0.4066 2.51046
13 1MO9 KPC 0.04969 0.40121 2.51046
14 3LXI CAM 0.02831 0.40344 2.92887
15 2YOO K2B 0.008808 0.40113 2.92887
16 3KYQ DPV 0.002367 0.45847 3.01508
17 5UC9 MYR 0.01085 0.41968 3.09735
18 1DTL BEP 0.00666 0.42147 3.10559
19 4QEK GLC 0.0127 0.41278 3.34728
20 5MOB A8S 0.0212 0.40102 3.44828
21 3W54 RNB 0.003961 0.42797 3.76569
22 3AQT RCO 0.01472 0.42479 3.76569
23 3ANY 2A3 0.01768 0.41041 3.76569
24 1O6U PLM 0.01438 0.40173 3.76569
25 1OW4 2AN 0.006401 0.4223 3.87597
26 4AIG FLX 0.01339 0.41086 3.9801
27 5V4R MGT 0.03112 0.4039 4.32099
28 5IR4 ZPE 0.0165 0.40191 4.36047
29 1T27 PCW 0.00891 0.41385 4.60251
30 3D78 NBB 0.006044 0.41397 5.04202
31 3KU0 ADE 0.0138 0.42452 5.43933
32 4UYG 73B 0.02491 0.40555 5.73248
33 4UBS DIF 0.008361 0.43239 5.85774
34 4JE5 PMP 0.01811 0.40439 5.85774
35 4JE5 PLP 0.01903 0.40333 5.85774
36 2Q8H TF4 0.04706 0.4 5.85774
37 3KO0 TFP 0.0004911 0.49188 5.94059
38 4DS8 A8S 0.006549 0.41775 6.2201
39 2Z7I 742 0.03413 0.40296 6.27615
40 1RL4 BL5 0.009681 0.40927 6.91489
41 5IXK 6EW 0.001615 0.43488 7.01754
42 4ZOM 4Q3 0.002638 0.45783 7.11111
43 3KDU NKS 0.003 0.43961 7.53138
44 1I0B PEL 0.02225 0.41791 7.94979
45 1J78 VDY 0.01509 0.41245 7.94979
46 1QVJ RP5 0.02523 0.40678 8.3682
47 5NTW 98N 0.002029 0.42928 8.78661
48 5APJ 76E 0.006178 0.40733 8.78661
49 5APK 76E 0.007306 0.40287 8.78661
50 2A1L PCW 0.007533 0.41803 9.62343
51 5OCA 9QZ 0.005265 0.46205 15.873
52 4E2J MOF 0.0001021 0.4716 23.8494
53 3GN8 DEX 0.0001761 0.47071 23.8494
54 4LSJ LSJ 0.00002697 0.48978 24.2678
55 1M2Z DEX 0.0001083 0.47974 24.2678
56 3BQD DAY 0.00004872 0.47939 24.2678
57 5G5W R8C 0.0002346 0.46424 24.2678
58 4P6X HCY 0.000197 0.45019 24.2678
59 4P6W MOF 0.0003503 0.44959 24.2678
60 1NHZ 486 0.0005503 0.44152 24.2678
61 3RY9 1CA 0.0002648 0.47248 24.6862
62 2Q1H AS4 0.0001163 0.45495 25.1046
63 5HCV 60R 0.00006907 0.4881 29.2887
64 2A3I C0R 0.00006167 0.47591 29.2887
65 5L7G 6QE 0.000003971 0.52955 29.7071
66 4UDB CV7 0.00001252 0.49387 29.7071
67 4DM8 REA 0.001002 0.43083 31.3808
68 4DK7 0KS 0.002431 0.42561 31.3808
69 3IPQ 965 0.0003044 0.41376 32.636
70 3KFC 61X 0.001371 0.4393 33.0544
71 4OAR 2S0 0.00005889 0.47091 33.4728
72 1SR7 MOF 0.0002601 0.46881 33.4728
73 5ICK FEZ 0.004333 0.41463 34.9345
74 3KMZ EQO 0.0009888 0.438 35.1464
75 3KMR EQN 0.003094 0.42103 35.1464
76 5K13 6Q7 0.002136 0.41336 35.1464
77 3VRV YSD 0.0008095 0.46521 35.5649
78 5GIC DLC 0.006286 0.40701 35.5649
79 4OIV XX9 0.01301 0.40366 35.8407
80 3L0E G58 0.0005064 0.45021 35.9684
81 1M13 HYF 0.002657 0.42563 35.9833
82 2AX9 BHM 0.0002024 0.48439 37.2385
83 5LGA 6VH 0.0016 0.43899 37.2385
84 3V49 PK0 0.001352 0.42902 37.2385
85 5E7V M7E 0.004549 0.41297 37.2385
86 4J26 EST 0.000007622 0.56205 45.1883
87 3OLL EST 0.000002542 0.50064 45.1883
88 2YJD YJD 0.000008013 0.48199 45.1883
89 4J24 EST 0.0000176 0.45755 45.1883
90 3FAL LO2 0.001651 0.43448 46.8619
91 4MGB XDH 0.0000008342 0.52993 47.6987
92 4MGD 27N 0.00004208 0.52011 47.6987
93 3UUA 0CZ 0.0002122 0.4991 47.6987
94 5HYR EST 0.000009543 0.47322 47.6987
95 1U3R 338 0.000002318 0.51016 48.1172
96 1YYE 196 0.00001258 0.46906 48.1172
97 5DX3 EST 0.000008703 0.46725 48.1172
98 2I0G I0G 0.00001445 0.54616 48.5356
99 4MG8 27J 0.000004458 0.5656 48.954
100 3UU7 2OH 0.00004404 0.54765 48.954
101 4MG7 27H 0.000001279 0.52195 48.954
102 4TUZ 36J 0.000002597 0.48794 48.954
103 3UUD EST 0.00000887 0.47516 48.954
104 5DXE EST 0.000008553 0.47484 48.954
105 5DXG EST 0.000008846 0.46576 48.954
106 4MGA 27L 0.007784 0.42753 48.954
107 4MG9 27K 0.00008602 0.41114 48.954
108 2R40 EPH 0.000006638 0.4819 49.3724
109 2PJL 047 0.001616 0.42582 49.3724
110 1XIU REA 0.00005534 0.50283 50
111 1ZOY UQ1 0.0135 0.4219 50
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