Receptor
PDB id Resolution Class Description Source Keywords
5U9J 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE FKBP DOMAIN OF HUMAN ARYL HYDROCARB RECEPTOR-INTERACTING PROTEIN-LIKE 1 (AIPL1) COMPLEXED WITH G ERANYL PYROPHOSHATE HOMO SAPIENS AIPL1 FKBP CHAPERONE PDE6 PHOTORECEPTOR LCA ISOPRENYLSIGNALING PROTEIN
Ref.: UNIQUE STRUCTURAL FEATURES OF THE AIPL1-FKBP DOMAIN SUPPORT PRENYL LIPID BINDING AND UNDERLIE PROTEIN MALFUNCTION IN BLINDNESS. PROC. NATL. ACAD. SCI. V. 114 E6536 2017 U.S.A.
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IPA A:302;
Invalid;
none;
submit data
60.095 C3 H8 O CC(C)...
GER A:301;
B:301;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.2;
none;
submit data
274.484 C20 H34 CC=C(...
NA A:303;
Part of Protein;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5U9J 2.1 Å NON-ENZYME: SIGNAL_HORMONE CRYSTAL STRUCTURE OF THE FKBP DOMAIN OF HUMAN ARYL HYDROCARB RECEPTOR-INTERACTING PROTEIN-LIKE 1 (AIPL1) COMPLEXED WITH G ERANYL PYROPHOSHATE HOMO SAPIENS AIPL1 FKBP CHAPERONE PDE6 PHOTORECEPTOR LCA ISOPRENYLSIGNALING PROTEIN
Ref.: UNIQUE STRUCTURAL FEATURES OF THE AIPL1-FKBP DOMAIN SUPPORT PRENYL LIPID BINDING AND UNDERLIE PROTEIN MALFUNCTION IN BLINDNESS. PROC. NATL. ACAD. SCI. V. 114 E6536 2017 U.S.A.
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 5U9J - GER C20 H34 CC=C(/C)CC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 5U9J - GER C20 H34 CC=C(/C)CC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 5U9J - GER C20 H34 CC=C(/C)CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GER; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 GER 1 1
2 FAR 1 1
3 650 0.785714 0.8125
4 SQL 0.709677 0.941176
5 FOH 0.628571 0.695652
6 64Z 0.514286 0.652174
7 CTV 0.447368 0.684211
8 28U 0.444444 0.615385
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U9J; Ligand: GER; Similar sites found: 59
This union binding pocket(no: 1) in the query (biounit: 5u9j.bio2) has 14 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5ICK FEZ 0.03166 0.41379 None
2 4Z28 BTN 0.01081 0.40856 None
3 1OGX EQU 0.01565 0.4051 None
4 4DOL PLM 0.0188 0.40506 None
5 5K52 OCD 0.02048 0.40838 1.18343
6 3F3E LEU 0.02084 0.42675 2.36686
7 5DQ8 FLF 0.0428 0.40232 2.36686
8 4BJ8 BTN 0.01956 0.40226 2.38095
9 4V24 GYR 0.01984 0.42148 2.95858
10 1HG4 LPP 0.02881 0.40787 2.95858
11 5UI2 EQ3 0.0476 0.40307 2.95858
12 1G42 CP2 0.008006 0.41743 3.04054
13 5CSD ACD 0.02043 0.42819 3.14465
14 5DKK FMN 0.001993 0.45654 3.44828
15 3E8T UQ8 0.02127 0.43867 3.5503
16 5JNN 6LM 0.02606 0.40602 3.5503
17 1N20 3AG 0.0293 0.40186 3.5503
18 2OAZ I96 0.0293 0.40031 3.5503
19 5T2Z 017 0.04358 0.40073 4.0404
20 5UWA 8ND 0.01524 0.42642 4.14201
21 2EV1 OLA 0.0164 0.415 4.14201
22 3W68 VIV 0.0313 0.40036 4.14201
23 2D8L UCD 0.007275 0.42394 4.73373
24 5K53 STE 0.01682 0.41113 4.73373
25 4RLT FSE 0.01339 0.4063 4.7619
26 5DJU FMN 0.00478 0.43914 4.82759
27 3UUA 0CZ 0.004703 0.43126 5.32544
28 4OYA 1VE 0.03812 0.42869 5.32544
29 3B1M KRC 0.01143 0.42149 5.32544
30 1RQJ RIS 0.02629 0.40727 5.32544
31 3H0A D30 0.03941 0.40062 5.32544
32 1MGP PLM 0.03488 0.40214 5.91716
33 4OIV XX9 0.01136 0.44214 6.50888
34 4S1B 2BA 0.03094 0.40353 6.50888
35 4UHF BUA 0.01885 0.40306 6.50888
36 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 0.02734 0.41281 7
37 5HK9 64O 0.01504 0.41532 7.10059
38 3FYS PLM 0.03386 0.40005 7.10059
39 4R38 RBF 0.005833 0.43472 7.14286
40 3S0E EOL 0.006658 0.42371 7.56302
41 1Y0G 8PP 0.04087 0.41422 7.69231
42 3WCA FPS 0.03364 0.40429 7.69231
43 3OV6 MK0 0.0278 0.41243 8.28402
44 5EFW FMN 0.001973 0.45677 8.33333
45 4CDN FO1 0.04285 0.41782 8.87574
46 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 0.04571 0.40077 9
47 5DJT FMN 0.002225 0.45412 9.83607
48 4PSB GA3 0.03954 0.40748 10.3226
49 2WKQ FMN 0.001551 0.46208 11.8343
50 3KDU NKS 0.03384 0.42286 11.8343
51 2ZCQ B65 0.03406 0.4195 12.426
52 5B4B LP5 0.03485 0.40596 13.0178
53 1M13 HYF 0.04902 0.40024 14.2012
54 2J07 FAD 0.008437 0.45824 15.3846
55 2J07 HDF 0.008437 0.45824 15.3846
56 5BWX 4W4 0.03447 0.41748 16.568
57 3UMV FAD 0.01229 0.42747 17.1598
58 3CXH SMA 0.03359 0.40432 19.8413
59 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 0.04929 0.40706 21.8935
Pocket No.: 2; Query (leader) PDB : 5U9J; Ligand: GER; Similar sites found: 38
This union binding pocket(no: 2) in the query (biounit: 5u9j.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2Z6D FMN 0.0009004 0.46801 None
2 1TT8 PHB 0.00885 0.4288 None
3 2PD4 DCN 0.04392 0.40321 None
4 2PD4 NAD 0.04466 0.40282 None
5 3T50 FMN 0.0006065 0.41019 1.5625
6 4OMJ 2TX 0.03244 0.40711 1.77515
7 1EWF PC1 0.01105 0.43919 2.36686
8 2C0U FAD NBT 0.01797 0.42494 2.36686
9 2GU8 796 0.03373 0.42264 2.95858
10 3P9T TCL 0.01135 0.40294 2.95858
11 5HCY 60D 0.02815 0.41919 3.5503
12 1NP7 FAD 0.006382 0.43893 5.32544
13 2P4Y C03 0.02421 0.42843 5.32544
14 1QG6 TCL 0.03785 0.41387 5.32544
15 1QG6 NAD 0.03785 0.41387 5.32544
16 2X32 OTP 0.03921 0.41383 5.32544
17 5I8T LAC 0.004638 0.41311 5.32544
18 3E2M E2M 0.02121 0.41071 5.32544
19 3UUD EST 0.01166 0.40693 5.32544
20 3ET3 ET1 0.01894 0.40418 5.32544
21 2FDW D3G 0.00372 0.44643 5.91716
22 4I6G FAD 0.005212 0.44053 5.91716
23 1VPV PLM 0.02595 0.40484 5.91716
24 1OLM VTQ 0.02673 0.40135 5.91716
25 4QXR 1YE 0.02214 0.41805 6.50888
26 3E7O 35F 0.03027 0.40642 6.50888
27 1QY1 PRZ 0.004095 0.43923 7.10059
28 3RI1 3RH 0.01453 0.41778 7.10059
29 5SVV FMN 0.003183 0.44284 7.29927
30 3OJF NDP 0.01402 0.42962 8.28402
31 3OJF IMJ 0.01874 0.42873 8.28402
32 3D72 FAD 0.001662 0.47187 9.39597
33 4QWT ACD 0.02248 0.40805 10.6509
34 2A3I C0R 0.01828 0.40662 11.8343
35 2J4D FAD 0.003105 0.45501 13.6095
36 2DYR PGV 0.03833 0.40736 16.3265
37 1K7L 544 0.0159 0.41578 28.5714
38 3T03 3T0 0.01363 0.40571 33.3333
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