Receptor
PDB id Resolution Class Description Source Keywords
1G2N 1.65 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF THE ULTRASPIRACLE PROTEIN USP, THE ORTHOLOG OF RXRS IN INSECTS HELIOTHIS VIRESCENS ANTIPARALLEL ALPHA-HELICAL SANDWICH STRUCTURAL PROTEOMICS IN EUROPE SPINE STRUCTURAL GENOMICS GENE REGULATION
Ref.: CRYSTAL STRUCTURE OF THE LIGAND-BINDING DOMAIN OF THE ULTRASPIRACLE PROTEIN USP, THE ORTHOLOG OF RETINOID X RECEPTORS IN INSECTS. J.BIOL.CHEM. V. 276 7465 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EPH A:4000;
Valid;
none;
submit data
709.933 C39 H68 N O8 P CCCC=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1G2N 1.65 Å NON-ENZYME: TRANSCRIPT_TRANSLATE CRYSTAL STRUCTURE OF THE LIGAND BINDING DOMAIN OF THE ULTRASPIRACLE PROTEIN USP, THE ORTHOLOG OF RXRS IN INSECTS HELIOTHIS VIRESCENS ANTIPARALLEL ALPHA-HELICAL SANDWICH STRUCTURAL PROTEOMICS IN EUROPE SPINE STRUCTURAL GENOMICS GENE REGULATION
Ref.: CRYSTAL STRUCTURE OF THE LIGAND-BINDING DOMAIN OF THE ULTRASPIRACLE PROTEIN USP, THE ORTHOLOG OF RETINOID X RECEPTORS IN INSECTS. J.BIOL.CHEM. V. 276 7465 2001
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 257 families.
1 1G2N - 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 1G2N - EPH C39 H68 N O8 P CCCC=CCC=C....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 185 families.
1 4N8R ic50 = 16.8 uM K08 C23 H24 N4 CC1=C(c2cc....
2 1HG4 - LPP C35 H69 O8 P CCCCCCCCCC....
3 1G2N - EPH C39 H68 N O8 P CCCC=CCC=C....
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 : 1G2N; Ligand: EPH; Similar sites found: 111
This union binding pocket(no: 1) in the query (biounit: 1g2n.bio1) has 25 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4QB6 GCU XYP 0.01253 0.42744 None
2 1TUV VK3 0.01983 0.41584 None
3 4BG4 ARG 0.01984 0.41397 None
4 5HZ9 5M8 0.005443 0.41196 None
5 1TW4 CHD 0.01256 0.40983 None
6 3WBG 2AN 0.005831 0.41786 1.30719
7 2ET1 GLV 0.02657 0.4062 1.49254
8 1A05 IPM 0.02393 0.40922 1.51515
9 3LGG CFE 0.006467 0.41965 1.89394
10 4M51 BEZ 0.03108 0.40683 1.89394
11 4O4Z N2O 0.01772 0.43806 1.94805
12 5AZC PGT 0.04158 0.40177 2.27273
13 1OW4 2AN 0.0206 0.40315 2.32558
14 3R7F CP 0.009398 0.43172 2.65152
15 4LAX FK5 0.03354 0.40027 2.65152
16 2J5S KTA 0.02914 0.40347 2.6616
17 5HX1 UMP 0.03596 0.40021 2.89855
18 3TDC 0EU 0.002281 0.43335 3.0303
19 3W54 RNB 0.01401 0.40382 3.0303
20 5IR4 ZPE 0.01509 0.40103 3.0303
21 5HCN DAO 0.0172 0.41547 3.06513
22 4Q0K GA3 0.007257 0.4173 3.08642
23 4V3I ASP LEU THR ARG PRO 0.014 0.421 3.11284
24 3RV5 DXC 0.001125 0.4911 3.37079
25 1BRW URA 0.01998 0.41373 3.40909
26 3LXI CAM 0.02035 0.4137 3.40909
27 1Q6I FK5 0.02517 0.40269 3.57143
28 2BP1 FLC 0.002533 0.45332 3.78788
29 1GJW GLC 0.02208 0.41385 3.78788
30 3GXO MQA 0.01633 0.41226 3.78788
31 3ANY 2A3 0.02744 0.40272 3.80228
32 3LE7 ADE 0.03462 0.40154 3.83142
33 3NJQ NJQ 0.02251 0.40935 4.14508
34 3NW7 LGV 0.009475 0.41171 4.16667
35 3O01 DXC 0.01498 0.44988 4.54545
36 5B25 4QJ 0.01299 0.40184 4.92424
37 3PMD 11A 0.02264 0.40111 5.88235
38 5J32 IPM 0.001698 0.4706 6.06061
39 3CHT 4NB 0.02946 0.40578 6.43939
40 5UC9 MYR 0.008602 0.42638 7.57576
41 3KYQ DPV 0.01571 0.41752 9.04523
42 3BJC WAN 0.02905 0.40354 10.6061
43 4D4U FUC NDG GAL FUC 0.01637 0.41405 11.3636
44 3KB9 BTM 0.007953 0.41166 11.7424
45 4RJD TFP 0.02861 0.40015 12.1212
46 1L0I PSR 0.03631 0.40683 12.8205
47 1N13 AG2 0.02684 0.40861 13.2743
48 2QQC AG2 0.02749 0.408 13.3929
49 1DTL BEP 0.005451 0.4273 14.2857
50 2HFK E4H 0.03221 0.40119 18.5606
51 5NTW 98N 0.006877 0.40377 27.6515
52 4ZOM 4Q3 0.004451 0.44408 28.0303
53 5IXK 6EW 0.00166 0.4308 28.0303
54 5APK 76E 0.004939 0.40706 28.0303
55 3ET1 ET1 0.003321 0.4214 28.7879
56 3KDU NKS 0.008236 0.417 28.7879
57 3SP6 IL2 0.006665 0.40808 28.7879
58 4DK7 0KS 0.001492 0.43668 29.9242
59 1M13 HYF 0.004369 0.41334 30.6818
60 3IPQ 965 0.0004129 0.41113 30.6818
61 5E7V M7E 0.001026 0.43688 31.8182
62 5LGA 6VH 0.001646 0.43508 31.8182
63 5ICK FEZ 0.002872 0.42418 32.3144
64 4LSJ LSJ 0.0004518 0.43363 32.5581
65 5L7G 6QE 0.00002708 0.48714 32.5758
66 4UDB CV7 0.0002037 0.45142 32.5758
67 3VRV YSD 0.001566 0.44892 32.5758
68 5GIC DLC 0.001022 0.43696 32.5758
69 5TWO 7MV 0.004503 0.41212 32.5758
70 2Q1H AS4 0.0004069 0.42434 32.8
71 3KFC 61X 0.0004994 0.40907 32.8063
72 4P6X HCY 0.0009805 0.41702 32.9412
73 5G5W R8C 0.0004977 0.42428 32.9545
74 1NHZ 486 0.004697 0.41133 32.9545
75 5HCV 60R 0.0009125 0.44198 33.0739
76 1SR7 MOF 0.002244 0.4255 33.2046
77 4OAR 2S0 0.00001653 0.51692 33.3333
78 2A3I C0R 0.000426 0.45203 33.5968
79 4P6W MOF 0.001138 0.43037 33.7302
80 1M2Z DEX 0.0005339 0.452 33.8521
81 3RY9 1CA 0.0001844 0.48151 34
82 3BQD DAY 0.001927 0.40972 34.1176
83 3L0E G58 0.001321 0.40675 34.3874
84 4E2J MOF 0.0006084 0.44162 35.2
85 2PJL 047 0.002453 0.41996 35.2227
86 3GN8 DEX 0.001445 0.43339 35.3414
87 5UFS 1TA 0.001002 0.43266 35.4839
88 1YYE 196 0.00001371 0.54512 35.6061
89 1U3R 338 0.000004833 0.55246 35.9848
90 3OLL EST 0.00001144 0.54207 35.9848
91 4J26 EST 0.00007687 0.5162 35.9848
92 4J24 EST 0.00009133 0.51261 35.9848
93 2I0G I0G 0.0002172 0.48887 35.9848
94 2YJD YJD 0.0002952 0.47733 35.9848
95 3KMR EQN 0.00621 0.40944 36.7424
96 4DM8 REA 0.005009 0.40374 37.1212
97 5K13 6Q7 0.002863 0.40255 39.4309
98 5DXE EST 0.00004012 0.44169 40.9962
99 5DXG EST 0.00003716 0.43457 40.9962
100 5DX3 EST 0.00004301 0.43337 41.3793
101 5HYR EST 0.00004576 0.439 41.4729
102 4MG7 27H 0.000001941 0.57023 41.9608
103 4MGB XDH 0.000003503 0.55873 41.9608
104 4MG9 27K 0.00006433 0.54129 41.9608
105 4MG8 27J 0.00002426 0.53349 41.9608
106 4MGA 27L 0.001352 0.48209 41.9608
107 4MGD 27N 0.0005505 0.46989 41.9608
108 4TUZ 36J 0.00001195 0.45105 41.9608
109 3UU7 2OH 0.00003955 0.55222 42.6295
110 3UUD EST 0.00003701 0.52488 42.6295
111 3UUA 0CZ 0.001734 0.45622 42.6295
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