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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;
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 286 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 209 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 174 families.
1 5U9J - GER C20 H34 CC=C(/C)CC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GER; Similar ligands found: 9
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
9 GRQ 0.421053 0.722222
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5U9J; Ligand: GER; Similar sites found with APoc: 99
This union binding pocket(no: 1) in the query (biounit: 5u9j.bio2) has 14 residues
No: Leader PDB Ligand Sequence Similarity
1 4Z28 BTN None
2 4DOL PLM None
3 5Z1N PEF None
4 1OGX EQU None
5 2JAP NDP None
6 3EW2 BTN None
7 2ZAT NAP None
8 5K52 OCD 1.18343
9 2YOO K2B 1.18343
10 3F3E LEU 2.36686
11 2UXI G50 2.36686
12 1FP1 HCC 2.36686
13 5DQ8 FLF 2.36686
14 4BJ8 BTN 2.38095
15 3PE2 E1B 2.95858
16 2Q6B HR2 2.95858
17 4V24 GYR 2.95858
18 2XXP DSL 2.95858
19 4XU6 TDA 2.95858
20 1HG4 LPP 2.95858
21 5TUX ECH 2.95858
22 5UI2 EQ3 2.95858
23 1G42 CP2 3.04054
24 5CSD ACD 3.14465
25 5DKK FMN 3.44828
26 3E8T UQ8 3.5503
27 5JNN 6LM 3.5503
28 1N20 3AG 3.5503
29 2OAZ I96 3.5503
30 5T2Z 017 4.0404
31 5UWA 8ND 4.14201
32 2EV1 OLA 4.14201
33 5AZC PGT 4.14201
34 3W68 VIV 4.14201
35 4RLT FSE 4.7619
36 2V0U FMN 4.79452
37 5DJU FMN 4.82759
38 5U98 1KX 5.05051
39 3UUA 0CZ 5.32544
40 4OYA 1VE 5.32544
41 3B1M KRC 5.32544
42 1RQJ RIS 5.32544
43 2QE4 JJ3 5.32544
44 1ZGA HMK 5.32544
45 3H0A D30 5.32544
46 2FDW D3G 5.91716
47 4KBS PX2 5.91716
48 1MGP PLM 5.91716
49 4OIV XX9 6.50888
50 4S1B 2BA 6.50888
51 4UHF BUA 6.50888
52 4JNJ BTN 6.95652
53 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 7
54 5HK9 64O 7.10059
55 1SOW NAD 7.10059
56 1NX4 AKG 7.10059
57 3FYS PLM 7.10059
58 4R38 RBF 7.14286
59 5SVV FMN 7.29927
60 3S0E EOL 7.56302
61 1Y0G 8PP 7.69231
62 4PLT NAI 7.69231
63 4PLT OXM 7.69231
64 3WCA FPS 7.69231
65 2Z6C FMN 7.75194
66 3OV6 MK0 8.28402
67 1QFT HSM 8.28402
68 5EFW FMN 8.33333
69 5WL1 CUY 8.87574
70 5WL1 D3D 8.87574
71 4CDN FO1 8.87574
72 1KJM ALA GLN PHE SER ALA SER ALA SER ARG 9
73 4NTM 2K8 9.09091
74 5DJT FMN 9.83607
75 2P1C GG3 10.0592
76 4PSB GA3 10.3226
77 2CJF RP4 10.828
78 3O9Z AKG 11.2426
79 3O9Z NAD 11.2426
80 2WKQ FMN 11.8343
81 3KDU NKS 11.8343
82 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 11.8343
83 2ZCQ B65 12.426
84 4RVU NDP 12.426
85 5B4B LP5 13.0178
86 1K6M AGS 13.6095
87 4XNV BUR 13.6095
88 4RC8 STE 14.2012
89 1M13 HYF 14.2012
90 5W7R 9Z7 14.7929
91 2J07 HDF 15.3846
92 2J07 FAD 15.3846
93 5I60 67W 16.568
94 2NXW TPP 16.568
95 4WX0 HXD 17.1598
96 3CXH SMA 19.8413
97 3OKI OKI 21.4286
98 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 21.8935
99 2HFP NSI 28.5714
Pocket No.: 2; Query (leader) PDB : 5U9J; Ligand: GER; Similar sites found with APoc: 73
This union binding pocket(no: 2) in the query (biounit: 5u9j.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4XQM MAN None
2 5ICK FEZ None
3 2Z6D FMN None
4 2PD4 NAD None
5 2PD4 DCN None
6 1XE7 GUN None
7 4OMJ 2TX 1.77515
8 4WUJ FMN 2.04082
9 1EWF PC1 2.36686
10 2C0U FAD NBT 2.36686
11 2GJ3 FAD 2.5
12 2GU8 796 2.95858
13 3MKH FAD 2.95858
14 4N14 WR7 2.95858
15 3P9T TCL 2.95858
16 6GG9 FMN 3.08642
17 1UNB PN1 3.5503
18 5HCY 60D 3.5503
19 3R9V DXC 3.5503
20 1KDK DHT 3.5503
21 5OSW DIU 3.5503
22 3LN0 52B 4.14201
23 1EFY BZC 4.14201
24 3AQT RCO 4.14201
25 5Y02 MXN 4.6729
26 5K53 STE 4.73373
27 2D8L UCD 4.73373
28 2UW1 GVM 4.73373
29 1NP7 FAD 5.32544
30 2P4Y C03 5.32544
31 5I8T LAC 5.32544
32 2X32 OTP 5.32544
33 3E2M E2M 5.32544
34 1QG6 NAD 5.32544
35 1QG6 TCL 5.32544
36 3UUD EST 5.32544
37 3ET3 ET1 5.32544
38 6AD9 KK4 5.32544
39 2QZT PLM 5.40541
40 4I6G FAD 5.91716
41 1VPV PLM 5.91716
42 5FQK 6NT 5.91716
43 1OLM VTQ 5.91716
44 5W7B PA1 PO4 FTT FTT GCS FTT PO4 KDO MYR 6.50888
45 3E7O 35F 6.50888
46 2GJ5 VD3 6.79012
47 1QY1 PRZ 7.10059
48 3RI1 3RH 7.10059
49 3GZ9 D32 7.10059
50 1I06 TZL 7.10059
51 2E2R 2OH 7.69231
52 1QNF HDF 8.28402
53 1QNF FAD 8.28402
54 3OJF NDP 8.28402
55 3OJF IMJ 8.28402
56 4S28 SAH 8.28402
57 4S28 AIR 8.28402
58 4Y9J UCC 8.87574
59 3D72 FAD 9.39597
60 5W19 9TD 9.46746
61 4B1M FRU FRU 10.0592
62 4B1L FRU 10.303
63 3P7N FMN 10.6509
64 4QWT ACD 10.6509
65 6CDG PRO GLY LEU TRP LYS SER 10.7784
66 2A3I C0R 11.8343
67 2J4D FAD 13.6095
68 5UUO GSH 13.6095
69 5Z84 PGV 16.3265
70 5ZCO PGV 16.3265
71 2DYR PGV 16.3265
72 1K7L 544 28.5714
73 3T03 3T0 33.3333
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