Receptor
PDB id Resolution Class Description Source Keywords
1LFO 2.3 Å NON-ENZYME: TRANSPORT LIVER FATTY ACID BINDING PROTEIN-OLEATE COMPLEX RATTUS NORVEGICUS INTRACELLULAR LIPID TRANSPORT PROTEIN FATTY ACID BINDING PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF THE LIVER FATTY ACID-BINDING PROTEIN. A COMPLEX WITH TWO BOUND OLEATES. J.BIOL.CHEM. V. 272 7140 1997
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BEO A:130;
Invalid;
none;
submit data
86.089 C4 H6 O2 CC=CC...
OLA A:128;
A:129;
Valid;
Valid;
none;
none;
Kd ~ 2 uM
282.461 C18 H34 O2 CCCCC...
UNX A:131;
Invalid;
none;
submit data n/a n/a X n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1LFO 2.3 Å NON-ENZYME: TRANSPORT LIVER FATTY ACID BINDING PROTEIN-OLEATE COMPLEX RATTUS NORVEGICUS INTRACELLULAR LIPID TRANSPORT PROTEIN FATTY ACID BINDING PROTEIN
Ref.: THE CRYSTAL STRUCTURE OF THE LIVER FATTY ACID-BINDING PROTEIN. A COMPLEX WITH TWO BOUND OLEATES. J.BIOL.CHEM. V. 272 7140 1997
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1LFO Kd ~ 2 uM OLA C18 H34 O2 CCCCCCCCC=....
70% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 1LFO Kd ~ 2 uM OLA C18 H34 O2 CCCCCCCCC=....
2 3STK - PLM C16 H32 O2 CCCCCCCCCC....
3 3VG3 - PLM C16 H32 O2 CCCCCCCCCC....
4 3B2H - PLM C16 H32 O2 CCCCCCCCCC....
5 3B2K - PLM C16 H32 O2 CCCCCCCCCC....
6 3VG6 - PLM C16 H32 O2 CCCCCCCCCC....
7 3VG5 - PLM C16 H32 O2 CCCCCCCCCC....
8 3VG7 - PLM C16 H32 O2 CCCCCCCCCC....
9 3STM - PLM C16 H32 O2 CCCCCCCCCC....
10 3VG2 - PLM C16 H32 O2 CCCCCCCCCC....
11 3B2I - PLM C16 H32 O2 CCCCCCCCCC....
12 3B2L - PLM C16 H32 O2 CCCCCCCCCC....
13 3B2J - PLM C16 H32 O2 CCCCCCCCCC....
14 3VG4 - PLM C16 H32 O2 CCCCCCCCCC....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 922 families.
1 5L8O - CHD C24 H40 O5 C[C@H](CCC....
2 1LFO Kd ~ 2 uM OLA C18 H34 O2 CCCCCCCCC=....
3 3STK - PLM C16 H32 O2 CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: OLA; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 NER 1 1
2 OLA 1 1
3 ELA 1 1
4 PAM 0.939394 1
5 VCA 0.939394 1
6 MYZ 0.852941 0.954545
7 EIC 0.725 0.956522
8 STE 0.71875 0.954545
9 MYR 0.71875 0.954545
10 F23 0.71875 0.954545
11 DAO 0.71875 0.954545
12 11A 0.71875 0.954545
13 TDA 0.71875 0.954545
14 KNA 0.71875 0.954545
15 F15 0.71875 0.954545
16 DKA 0.71875 0.954545
17 DCR 0.71875 0.954545
18 PLM 0.71875 0.954545
19 OCA 0.6875 0.954545
20 ODD 0.675 0.956522
21 RCL 0.625 0.88
22 LNL 0.613636 0.869565
23 SHV 0.606061 0.909091
24 KTC 0.605263 0.84
25 3X1 0.564103 0.863636
26 ODT 0.555556 0.826087
27 T25 0.54717 0.709677
28 AZ1 0.53125 0.615385
29 6NA 0.529412 0.863636
30 10Y 0.529412 0.645161
31 10X 0.529412 0.645161
32 243 0.519231 0.846154
33 OLC 0.519231 0.617647
34 OLB 0.519231 0.617647
35 MVC 0.490566 0.617647
36 ACD 0.488889 0.956522
37 VA 0.478261 0.692308
38 3LA 0.47619 0.769231
39 78N 0.471698 0.617647
40 78M 0.471698 0.617647
41 EOD 0.468085 0.677419
42 MPG 0.45283 0.617647
43 14V 0.444444 0.714286
44 LEA 0.441176 0.772727
45 T24 0.438596 0.769231
46 BRC 0.435897 0.64
47 14U 0.431818 0.678571
48 M12 0.428571 0.833333
49 UNA 0.421053 0.636364
50 8YP 0.421053 0.636364
51 OCD 0.421053 0.636364
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1LFO; Ligand: OLA; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1lfo.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1LFO; Ligand: OLA; Similar sites found: 77
This union binding pocket(no: 2) in the query (biounit: 1lfo.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3L5R 47X 0.006759 0.45302 None
2 1WUB OTP 0.004605 0.4365 None
3 5ML3 DL3 0.005428 0.42798 None
4 3E2M E2M 0.01506 0.42113 None
5 3R1V AZB 0.006675 0.40805 None
6 4WN5 MVC 0.007009 0.40548 None
7 1N5S ADL 0.003289 0.40456 None
8 1I7A PHE 0.01578 0.40196 None
9 4OPC FDA 0.02029 0.43423 2.34375
10 3G5D 1N1 0.01225 0.42476 2.34375
11 4OPC PGT 0.03911 0.42212 2.34375
12 4IE6 UN9 0.005694 0.41712 2.34375
13 4MNS 2AX 0.0008353 0.47642 3.125
14 2X34 UQ8 0.02097 0.40885 3.125
15 1QIN GIP 0.003794 0.42913 3.90625
16 4RFR RHN 0.004519 0.40833 3.90625
17 3Q8G PEE 0.02096 0.41344 4.6875
18 2CM4 RCL 0.005084 0.40985 4.6875
19 4B2Z P5S 0.01943 0.40327 4.6875
20 5X1M THG 0.0008308 0.45907 5.46875
21 5X1M DHB 0.001007 0.45385 5.46875
22 5DQ8 FLF 0.003283 0.42162 5.46875
23 5N87 N66 0.01159 0.41055 5.46875
24 5MZI FAD 0.04282 0.40153 5.46875
25 5MZI FYK 0.04406 0.40153 5.46875
26 3L9R L9R 0.01425 0.40854 6.12245
27 2WA4 069 0.00328 0.43059 6.25
28 3LVW GSH 0.01122 0.4123 6.25
29 1ZB6 GST 0.009896 0.40766 6.25
30 1ZB6 DIN 0.009989 0.40615 6.25
31 2Y6Q I7T 0.02488 0.40608 7.03125
32 2Z77 HE7 0.009343 0.40161 7.03125
33 3G08 FEE 0.004074 0.44785 7.07071
34 3SCM LGN 0.01166 0.42653 7.07071
35 3E85 BSU 0.01171 0.41454 7.8125
36 3PFG TLO 0.02166 0.40389 7.8125
37 1JL0 PUT 0.004106 0.43537 8.59375
38 2YNE YNE 0.0258 0.41782 8.59375
39 2YNE NHW 0.0258 0.41782 8.59375
40 4ZSI 4R1 0.003615 0.40246 8.59375
41 3RUG DB6 0.004132 0.44248 9.375
42 2JDR GLY ARG PRO ARG THR THR SER PHE ALA GLU 0.0144 0.42208 10.1562
43 2JDR L20 0.0144 0.42208 10.1562
44 5FPX GLY SER SER HIS HIS HIS HIS HIS 0.003586 0.41265 10.6195
45 3QCQ 3Q0 0.04088 0.41325 10.9375
46 5E89 TD2 0.002846 0.40604 10.9375
47 2A1L PCW 0.000984 0.46903 11.7188
48 1T27 PCW 0.007054 0.42779 11.7188
49 3MTX PGT 0.01327 0.40439 11.7188
50 5IH1 6BQ 0.03003 0.40291 11.7188
51 5IH1 GDP 0.03063 0.40249 11.7188
52 3VHH VHH 0.03693 0.40278 13.0081
53 4PSB GA3 0.0147 0.40467 13.2812
54 1ODM ASV 0.005308 0.41404 14.8438
55 4P8K 38C 0.03541 0.40091 14.8438
56 3E8N VRA 0.006686 0.42983 16.4062
57 3E8N ATP 0.006686 0.42983 16.4062
58 3RGA LSB 0.0005518 0.43611 21.0938
59 4BJZ P3A 0.008861 0.44216 21.875
60 3M3R BCD 0.006673 0.42594 21.875
61 4WO4 JLS 0.003086 0.44261 22
62 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 0.007841 0.42268 22
63 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 0.01301 0.41876 22
64 1Z03 OCH 0.01818 0.40764 22.6562
65 3BZF VAL MET ALA PRO ARG ALA LEU LEU LEU 0.007858 0.41717 22.6804
66 4AZP A9M 0.0007268 0.4504 25.7812
67 5HZ5 65X 0.006696 0.40799 28.125
68 5HZ9 5M8 0.008389 0.40956 30.4688
69 4BVM VCA 0.006811 0.40603 31.25
70 4BVM PLM 0.006638 0.4048 31.25
71 2NNQ T4B 0.000412 0.48099 32.8125
72 5D48 L96 0.00257 0.42958 32.8125
73 5BVT PAM 0.006668 0.40293 34.375
74 1MDC PLM 0.005532 0.40999 39.8438
75 2IFB PLM 0.002209 0.42743 44.5312
76 1FDQ HXA 0.004204 0.42304 45.3125
77 4QYN RTL 0.005478 0.41017 48.4375
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