Receptor
PDB id Resolution Class Description Source Keywords
1YUC 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE HUMAN NUCLEAR RECEPTOR LIVER RECEPTOR HOMOLOGUE-1, LRH-1, BO PHOSPHOLIPID AND A FRAGMENT OF HUMAN SHP HOMO SAPIENS LIVER RECEPTOR HOMOLOGUE 1; NUCLEAR RECEPTOR LIGAND BINDING LRH-1; PHOSPHOLIPID; SHP; SMALL HETERODIMER PARTNER TRANSCREGULATION
Ref.: MODULATION OF HUMAN NUCLEAR RECEPTOR LRH-1 ACTIVITY PHOSPHOLIPIDS AND SHP NAT.STRUCT.MOL.BIOL. V. 12 357 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPH A:1001;
B:1002;
Valid;
Valid;
none;
none;
submit data
709.933 C39 H68 N O8 P CCCC=...
GOL A:5001;
B:5002;
B:5003;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1YUC 1.9 Å NON-ENZYME: TRANSCRIPT_TRANSLATE HUMAN NUCLEAR RECEPTOR LIVER RECEPTOR HOMOLOGUE-1, LRH-1, BO PHOSPHOLIPID AND A FRAGMENT OF HUMAN SHP HOMO SAPIENS LIVER RECEPTOR HOMOLOGUE 1; NUCLEAR RECEPTOR LIGAND BINDING LRH-1; PHOSPHOLIPID; SHP; SMALL HETERODIMER PARTNER TRANSCREGULATION
Ref.: MODULATION OF HUMAN NUCLEAR RECEPTOR LRH-1 ACTIVITY PHOSPHOLIPIDS AND SHP NAT.STRUCT.MOL.BIOL. V. 12 357 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 1YUC - EPH C39 H68 N O8 P CCCC=CCC=C....
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 1YUC - EPH C39 H68 N O8 P CCCC=CCC=C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 1YUC - EPH C39 H68 N O8 P CCCC=CCC=C....
2 1YMT - DR9 C40 H75 O10 P CCCCCCCCC=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: EPH; Similar ligands found: 70
No: Ligand ECFP6 Tc MDL keys Tc
1 EPH 1 1
2 GP7 0.847059 1
3 L9Q 0.752941 1
4 LOP 0.752941 1
5 PEK 0.741573 1
6 ZPE 0.715909 1
7 PSC 0.673684 0.79661
8 PEH 0.647059 0.980769
9 PTY 0.647059 0.980769
10 PEF 0.647059 0.980769
11 8PE 0.647059 0.980769
12 PEV 0.647059 0.980769
13 9PE 0.639535 0.980769
14 PCW 0.634409 0.79661
15 PGW 0.595745 0.830189
16 DR9 0.589474 0.830189
17 PGV 0.589474 0.830189
18 P6L 0.583333 0.830189
19 DLP 0.58 0.728814
20 OZ2 0.57732 0.830189
21 T7X 0.563107 0.711864
22 B7N 0.555556 0.711864
23 LIO 0.537634 0.779661
24 HGX 0.537634 0.779661
25 PC7 0.537634 0.779661
26 PLD 0.537634 0.779661
27 HGP 0.537634 0.779661
28 6PL 0.537634 0.779661
29 PEE 0.532609 0.962264
30 L9R 0.53 0.728814
31 PIE 0.519608 0.666667
32 XP5 0.516129 0.779661
33 CD4 0.51087 0.807692
34 P5S 0.505263 0.888889
35 P3A 0.504854 0.796296
36 LHG 0.5 0.811321
37 PGT 0.5 0.811321
38 PCK 0.480769 0.741935
39 CN3 0.47 0.807692
40 3PH 0.466667 0.773585
41 7PH 0.466667 0.773585
42 6PH 0.466667 0.773585
43 LPP 0.466667 0.773585
44 PII 0.464646 0.694915
45 3PE 0.463918 0.867925
46 PSF 0.463158 0.888889
47 PX2 0.461538 0.754717
48 7P9 0.461538 0.773585
49 44G 0.457447 0.811321
50 PIZ 0.451923 0.694915
51 42H 0.45098 0.830508
52 CN6 0.45 0.807692
53 PGK 0.447619 0.767857
54 PD7 0.444444 0.773585
55 CDL 0.443299 0.735849
56 IP9 0.442308 0.694915
57 PCF 0.44 0.711864
58 PC1 0.44 0.711864
59 MC3 0.44 0.711864
60 DGG 0.435185 0.767857
61 S12 0.427184 0.888889
62 PIF 0.427184 0.683333
63 M7U 0.424242 0.773585
64 44E 0.422222 0.773585
65 8ND 0.419355 0.716981
66 PDK 0.418803 0.819672
67 NKP 0.416667 0.792453
68 PIO 0.415094 0.683333
69 52N 0.415094 0.683333
70 AGA 0.401961 0.777778
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1YUC; Ligand: EPH; Similar sites found: 114
This union binding pocket(no: 1) in the query (biounit: 1yuc.bio1) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4DOL PLM 0.004333 0.42158 None
2 4RJD TFP 0.022 0.41479 None
3 3QIN P1Y 0.03613 0.40106 None
4 3W54 RNB 0.00407 0.42281 1.56863
5 3Q8G PEE 0.01629 0.40519 1.56863
6 3KO0 TFP 0.001367 0.47242 1.9802
7 5CHR 4NC 0.009235 0.43455 2.18978
8 1DQE BOM 0.006816 0.40593 2.18978
9 3LXI CAM 0.01115 0.42866 2.35294
10 1TV5 N8E 0.01669 0.42689 2.35294
11 5KLP IHP 0.01625 0.40976 2.7451
12 5HCN DAO 0.02663 0.40697 2.7451
13 1XZ3 ICF 0.008028 0.44758 2.87356
14 4WKI 3PW 0.01032 0.41548 2.97872
15 3KYQ DPV 0.01916 0.41449 3.01508
16 4NV0 MG7 0.03213 0.40267 3.13725
17 5UGW GSH 0.0004982 0.52111 3.42857
18 3HYW DCQ 0.01296 0.42457 3.52941
19 5UC9 MYR 0.01622 0.4139 3.53982
20 5KOD IAC 0.008072 0.42927 3.92157
21 4X8D AVI 0.02497 0.40983 3.92157
22 5K53 STE 0.006007 0.40831 3.92157
23 5EHR 5OD 0.01486 0.40779 3.92157
24 3AI3 SOL 0.02846 0.40545 3.92157
25 5L2J 6UL 0.001332 0.46025 4.08163
26 5L2J 70E 0.001445 0.46008 4.08163
27 1RL4 BL5 0.01201 0.40218 4.25532
28 5CX6 CDP 0.009185 0.43391 5.09804
29 5B25 4QJ 0.007574 0.4142 5.09804
30 5MOB A8S 0.00748 0.4265 5.17241
31 4DS8 A8S 0.008269 0.41618 5.4902
32 5OCA 9QZ 0.008063 0.44155 5.55556
33 5MWE TCE 0.008513 0.43293 5.71429
34 4ZGM 32M 0.02074 0.42939 5.7377
35 4OKD GLC GLC GLC 0.0228 0.41721 5.88235
36 3R9V DXC 0.02808 0.40804 5.88235
37 5V4R MGT 0.02932 0.40762 6.17284
38 2XMY CDK 0.02633 0.40118 6.27451
39 5W3Y IHP 0.02286 0.41046 7.05882
40 5CQG 55C 0.02255 0.40971 7.05882
41 3GQT UFO 0.01806 0.40367 7.45098
42 4WCX MET 0.03397 0.40422 7.84314
43 2XN5 FUN 0.01039 0.41941 8.62745
44 5N8V KZZ 0.001594 0.46509 8.69565
45 2CB8 MYA 0.03356 0.40499 9.1954
46 3TDC 0EU 0.001572 0.51248 9.41177
47 1XVB 3BR 0.0132 0.41425 9.41177
48 4INW 1EY 0.009034 0.40715 10
49 1NF8 BOG 0.01126 0.43483 13.0435
50 1AUA BOG 0.03239 0.40249 13.3333
51 3TL1 JRO 0.02529 0.40816 17.6101
52 3WBG 2AN 0.01549 0.40326 19.6078
53 3RY9 1CA 0.00009185 0.49709 21.2
54 4E2J MOF 0.00006012 0.48521 21.6
55 3GN8 DEX 0.00009845 0.48558 21.6867
56 2VWA PTY 0.01185 0.43711 21.7822
57 5HZ9 5M8 0.006 0.41519 22.2222
58 3BQD DAY 0.00003418 0.47064 22.3529
59 5XNA SHV 0.006783 0.43324 22.4638
60 4P6X HCY 0.0002351 0.43615 23.5294
61 4P6W MOF 0.0003457 0.45364 23.8095
62 3KDU NKS 0.002248 0.43883 25.098
63 3ET1 ET1 0.0008057 0.4115 25.098
64 3FUR Z12 0.01449 0.40191 27.0588
65 1M2Z BOG 0.001296 0.51337 27.8431
66 1M2Z DEX 0.0001156 0.48256 27.8431
67 4LSJ LSJ 0.000009571 0.49162 28.2353
68 5G5W R8C 0.0001627 0.44755 29.0196
69 1NHZ 486 0.0004841 0.43234 29.0196
70 1SR7 MOF 0.0001029 0.47753 29.8039
71 4OAR 2S0 0.0001213 0.44613 29.8039
72 5APK 76E 0.001849 0.40341 30.1961
73 5IXK 6EW 0.001735 0.43167 31.5789
74 2AX9 BHM 0.0001058 0.48832 31.7647
75 3V49 PK0 0.0004485 0.44143 31.7647
76 4ZOM 4Q3 0.00008935 0.51851 32
77 3RET SAL 0.01479 0.40421 32.6733
78 4DK7 0KS 0.001571 0.43741 32.7935
79 3KFC 61X 0.001147 0.43575 33.5968
80 4S15 4D8 0.004198 0.41172 33.7255
81 1M13 HYF 0.003087 0.41664 34.902
82 3IPQ 965 0.0005351 0.41061 34.902
83 5E7V M7E 0.00151 0.42662 35.2941
84 3L0E G58 0.001246 0.42696 36.3636
85 3KMZ EQO 0.001649 0.42204 36.8627
86 3KMR EQN 0.004822 0.41588 36.8627
87 3VRV YSD 0.002228 0.439 37.6471
88 5K13 6Q7 0.003393 0.41565 38.2114
89 2I0G I0G 0.0000111 0.54134 38.8235
90 1YYE 196 0.000001579 0.48349 38.8235
91 4TUZ 36J 0.0000002685 0.63671 40
92 4MG8 27J 0.0000005742 0.61223 40
93 5DXE EST 0.000001186 0.59739 40
94 5HYR EST 0.000001437 0.59346 40
95 5DX3 EST 0.000002168 0.59296 40
96 5DXG EST 0.000003443 0.58327 40
97 4MGD 27N 0.000006584 0.56231 40
98 4MG7 27H 0.000000261 0.5282 40
99 4MGB XDH 0.0000003571 0.5235 40
100 4MGA 27L 0.000561 0.49627 40
101 4MG9 27K 0.00003104 0.41253 40
102 5ICK FEZ 0.001158 0.44326 40.1747
103 3UU7 2OH 0.000008631 0.58867 40.6375
104 3UUA 0CZ 0.00002708 0.54719 40.6375
105 4TV1 36M 0.0003197 0.50711 40.6375
106 3UUD EST 0.000000896 0.49225 40.6375
107 3OLL EST 0.0000002797 0.51779 41.6667
108 2R40 EPH 0.000001508 0.51616 44.3137
109 4DM8 REA 0.001086 0.41771 45.4902
110 2PJL 047 0.006223 0.40446 46.5587
111 1U3R 338 0.0000003097 0.60855 48.1328
112 4J26 EST 0.000002844 0.58727 48.3333
113 2YJD YJD 0.00000459 0.56254 48.3333
114 4J24 EST 0.00000513 0.46198 48.3333
115 2Q1H AS4 0.00004448 0.45705 50
Pocket No.: 2; Query (leader) PDB : 1YUC; Ligand: EPH; Similar sites found: 46
This union binding pocket(no: 2) in the query (biounit: 1yuc.bio2) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4KPM BEN 0.01123 0.40492 None
2 1QY8 RDI 0.009181 0.41326 1.17647
3 4RQL SNE 0.01905 0.41311 1.96078
4 4RW3 PLM 0.03763 0.42758 2.35294
5 4RW3 SHV 0.04932 0.41524 2.35294
6 1J78 OLA 0.01155 0.4039 2.35294
7 4FE3 U5P 0.02062 0.40012 2.35294
8 3K3K A8S 0.002931 0.42495 2.36967
9 2FDW D3G 0.02211 0.40978 2.7451
10 5BVT PAM 0.007684 0.40663 2.98507
11 2QES ADE 0.0299 0.41101 3.13725
12 1XM4 PIL 0.0179 0.40666 3.13725
13 1VJ7 GPX 0.02546 0.40198 3.13725
14 3B6C SDN 0.02553 0.41066 3.4188
15 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 0.03714 0.4141 3.52941
16 5A5D 5LC 0.0288 0.40789 4.31373
17 1QVJ RP5 0.0362 0.40363 5.09804
18 3UP3 XCA 0.004113 0.40891 5.34979
19 1KPG 16A 0.01297 0.40289 5.88235
20 5CX8 RP3 0.01854 0.41494 6.27451
21 5C9J STE 0.008694 0.40427 6.66667
22 3L9R L9R 0.00274 0.41912 7.14286
23 3L9R L9Q 0.002483 0.41725 7.14286
24 4XNV BUR 0.02375 0.41016 7.45098
25 4YMU ARG 0.0274 0.41275 7.5
26 3KU0 ADE 0.0278 0.41107 7.56972
27 5IR4 ZPE 0.009847 0.40147 7.84314
28 2XEM SSV 0.02603 0.40226 8
29 4AIA ADK 0.02242 0.41754 8.51064
30 5A07 GDP 0.02869 0.40013 9.80392
31 3VVY ET 0.002816 0.40967 11.8557
32 3G08 FEE 0.01226 0.40577 15.1515
33 3SCM LGN 0.007914 0.41466 15.9184
34 1DTL BEP 0.01469 0.41087 17.3913
35 1K7L 544 0.001532 0.42018 25.098
36 2NPA MMB 0.003158 0.4201 25.098
37 3SP6 IL2 0.0005221 0.40905 25.098
38 2P54 735 0.00308 0.40813 25.098
39 3FEI CTM 0.004524 0.4072 25.098
40 5TWO 7MV 0.0009379 0.44658 27.0588
41 3G9E RO7 0.002786 0.41524 27.0588
42 5A86 D7E 0.00793 0.43268 34.902
43 4Q0A 4OA 0.003383 0.4258 35.2941
44 5LGA 6VH 0.0006868 0.40063 35.2941
45 5GIC DLC 0.002875 0.40939 38.4
46 3RUU 37G 0.001714 0.41065 40.1747
Pocket No.: 3; Query (leader) PDB : 1YUC; Ligand: EPH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1yuc.bio4) has 29 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1YUC; Ligand: EPH; Similar sites found: 18
This union binding pocket(no: 4) in the query (biounit: 1yuc.bio4) has 31 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1QW9 KHP 0.01643 0.40872 2.7451
2 1XMU ROF 0.01458 0.41125 3.13725
3 5VRH OLB 0.04373 0.40468 3.52941
4 2X3J ATP 0.01027 0.40507 3.92157
5 1QFT HSM 0.01652 0.40518 4
6 5U98 1KX 0.01275 0.40123 4.0404
7 5J32 IPM 0.02695 0.41379 4.31373
8 5EE7 5MV 0.0286 0.41079 4.31373
9 5K52 OCD 0.009965 0.40266 4.70588
10 4WVO 3UZ 0.001406 0.42309 5.4902
11 5LX9 OLB 0.0113 0.4166 6.27451
12 4F4S EFO 0.04119 0.40322 7.89474
13 4XCP PLM 0.02034 0.41842 8.23529
14 4LA7 A1O 0.002024 0.42283 10.3627
15 5LWY OLB 0.005312 0.43245 14.9533
16 4YSX E23 0.03403 0.4077 15.4255
17 5JM8 ATP 0.01124 0.40037 18.0392
18 1H0A I3P 0.04514 0.40011 18.9873
Pocket No.: 5; Query (leader) PDB : 1YUC; Ligand: EPH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 1yuc.bio3) has 26 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 1YUC; Ligand: EPH; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 1yuc.bio3) has 28 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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