Receptor
PDB id Resolution Class Description Source Keywords
1FK5 1.3 Å NON-ENZYME: TRANSPORT STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES WITH OLEIC ACID REVEALED B Y HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY ZEA MAYS PROTEIN-LIPID COMPLEX LIPID TRANSPORT
Ref.: STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY. J.MOL.BIOL. V. 308 263 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FMT A:301;
A:304;
A:310;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
46.025 C H2 O2 C(=O)...
OLA A:201;
Valid;
none;
submit data
282.461 C18 H34 O2 CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1FK5 1.3 Å NON-ENZYME: TRANSPORT STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES WITH OLEIC ACID REVEALED B Y HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY ZEA MAYS PROTEIN-LIPID COMPLEX LIPID TRANSPORT
Ref.: STRUCTURAL BASIS OF NON-SPECIFIC LIPID BINDING IN MAIZE LIPID-TRANSFER PROTEIN COMPLEXES REVEALED BY HIGH-RESOLUTION X-RAY CRYSTALLOGRAPHY. J.MOL.BIOL. V. 308 263 2001
Members (9)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 1FK1 - DAO C12 H24 O2 CCCCCCCCCC....
2 1FK2 - MYR C14 H28 O2 CCCCCCCCCC....
3 1FK3 - PAM C16 H30 O2 CCCCCCC=C/....
4 1MZM - PLM C16 H32 O2 CCCCCCCCCC....
5 1FK4 - STE C18 H36 O2 CCCCCCCCCC....
6 1FK0 - DKA C10 H20 O2 CCCCCCCCCC....
7 1FK7 - RCL C18 H34 O3 CCCCCC[C@H....
8 1FK5 - OLA C18 H34 O2 CCCCCCCCC=....
9 1FK6 - LNL C18 H30 O2 CCC=CCC=CC....
70% Homology Family (16)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 2B5S - HP6 C7 H16 CCCCCCC
2 2ALG - HP6 C7 H16 CCCCCCC
3 1UVB - PAM C16 H30 O2 CCCCCCC=C/....
4 1UVA - MYR C14 H28 O2 CCCCCCCCCC....
5 1UVC - STE C18 H36 O2 CCCCCCCCCC....
6 1FK1 - DAO C12 H24 O2 CCCCCCCCCC....
7 1FK2 - MYR C14 H28 O2 CCCCCCCCCC....
8 1FK3 - PAM C16 H30 O2 CCCCCCC=C/....
9 1MZM - PLM C16 H32 O2 CCCCCCCCCC....
10 1FK4 - STE C18 H36 O2 CCCCCCCCCC....
11 1FK0 - DKA C10 H20 O2 CCCCCCCCCC....
12 1FK7 - RCL C18 H34 O3 CCCCCC[C@H....
13 1FK5 - OLA C18 H34 O2 CCCCCCCCC=....
14 1FK6 - LNL C18 H30 O2 CCC=CCC=CC....
15 1BWO - LPC C22 H47 N O7 P CCCCCCCCCC....
16 1MID - LAP C20 H43 N O7 P CCCCCCCCCC....
50% Homology Family (17)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 2B5S - HP6 C7 H16 CCCCCCC
2 2ALG - HP6 C7 H16 CCCCCCC
3 1UVB - PAM C16 H30 O2 CCCCCCC=C/....
4 1UVA - MYR C14 H28 O2 CCCCCCCCCC....
5 1UVC - STE C18 H36 O2 CCCCCCCCCC....
6 1FK1 - DAO C12 H24 O2 CCCCCCCCCC....
7 1FK2 - MYR C14 H28 O2 CCCCCCCCCC....
8 1FK3 - PAM C16 H30 O2 CCCCCCC=C/....
9 1MZM - PLM C16 H32 O2 CCCCCCCCCC....
10 1FK4 - STE C18 H36 O2 CCCCCCCCCC....
11 1FK0 - DKA C10 H20 O2 CCCCCCCCCC....
12 1FK7 - RCL C18 H34 O3 CCCCCC[C@H....
13 1FK5 - OLA C18 H34 O2 CCCCCCCCC=....
14 1FK6 - LNL C18 H30 O2 CCC=CCC=CC....
15 1BWO - LPC C22 H47 N O7 P CCCCCCCCCC....
16 1MID - LAP C20 H43 N O7 P CCCCCCCCCC....
17 5TVI - O8N C28 H58 O 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 : 1FK5; Ligand: OLA; Similar sites found: 38
This union binding pocket(no: 1) in the query (biounit: 1fk5.bio1) has 24 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 5B0W 22B 0.004439 0.41609 None
2 1IYK MYA 0.004953 0.41405 None
3 3GZ9 D32 0.007815 0.41343 None
4 4NAT 2W5 0.008748 0.41025 None
5 4NAT ADP 0.03803 0.40688 None
6 3ZLR X0B 0.01104 0.40477 None
7 3OKI OKI 0.0131 0.40451 None
8 1M13 HYF 0.008581 0.40381 None
9 4OIV XX9 0.01352 0.40293 None
10 4Q9M FPP 0.01089 0.40057 None
11 5CSD ACD 0.01326 0.40023 None
12 5B4B LP5 0.001522 0.43315 2.15054
13 3KMZ EQO 0.003933 0.41279 2.15054
14 3T03 3T0 0.001686 0.40087 2.15054
15 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 0.001629 0.43865 4.30108
16 4X6F 3XU 0.007548 0.4141 4.30108
17 4BQS K2Q 0.02393 0.4023 4.30108
18 4C2Z MYA 0.006448 0.41711 5.37634
19 4C2Z 646 0.01614 0.41394 5.37634
20 3VRV YSD 0.01947 0.40292 5.37634
21 4UWJ MYA 0.01473 0.41839 6.45161
22 4UWJ 7L5 0.01473 0.41839 6.45161
23 5IR4 ZPE 0.01786 0.40037 6.45161
24 4C2X NHW 0.006637 0.41758 7.52688
25 4QWT ACD 0.006864 0.40115 7.52688
26 1HG4 LPP 0.003769 0.41357 9.67742
27 2XXP DSL 0.02517 0.40981 10.7527
28 3HUJ AGH 0.01823 0.40501 10.7527
29 2WSA MYA 0.04307 0.40424 10.7527
30 2WSA 646 0.04307 0.40424 10.7527
31 1GNI OLA 0.03164 0.43662 11.828
32 4ZOM 4Q3 0.02324 0.41312 12.9032
33 5LXT GDP 0.03655 0.41 12.9032
34 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 0.01282 0.40192 15.0538
35 5L2J 70E 0.006044 0.43775 18.2796
36 5L2J 6UL 0.02792 0.40534 18.2796
37 3L9R L9R 0.01104 0.40147 22.5806
38 3G9E RO7 0.004337 0.41903 23.6559
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