Receptor
PDB id Resolution Class Description Source Keywords
1TUK 1.12 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF LIGANDED TYPE 2 NON SPECIFIC LIPID TRAN PROTEIN FROM WHEAT TRITICUM AESTIVUM NS-LTP2 LIPID TRANSFER PROTEIN LIPID TRANSPORT
Ref.: STRUCTURE OF A LIGANDED TYPE 2 NON-SPECIFIC LIPID-T PROTEIN FROM WHEAT AND THE MOLECULAR BASIS OF LIPID ACTA CRYSTALLOGR.,SECT.D V. 61 397 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
IOD A:101;
A:102;
Invalid;
Invalid;
none;
none;
submit data
126.904 I [I-]
PGM A:103;
A:104;
Valid;
Valid;
none;
none;
submit data
483.553 C22 H44 O9 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1TUK 1.12 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF LIGANDED TYPE 2 NON SPECIFIC LIPID TRAN PROTEIN FROM WHEAT TRITICUM AESTIVUM NS-LTP2 LIPID TRANSFER PROTEIN LIPID TRANSPORT
Ref.: STRUCTURE OF A LIGANDED TYPE 2 NON-SPECIFIC LIPID-T PROTEIN FROM WHEAT AND THE MOLECULAR BASIS OF LIPID ACTA CRYSTALLOGR.,SECT.D V. 61 397 2005
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 1TUK - PGM C22 H44 O9 P CCCCCCCCCC....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 1TUK - PGM C22 H44 O9 P CCCCCCCCCC....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 1TUK - PGM C22 H44 O9 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PGM; Similar ligands found: 80
No: Ligand ECFP6 Tc MDL keys Tc
1 PGM 1 1
2 PG8 0.681818 0.977273
3 NKN 0.672414 0.888889
4 NKO 0.672414 0.888889
5 GYM 0.666667 0.744186
6 EKG 0.666667 0.744186
7 1QW 0.666667 0.744186
8 CDL 0.641791 0.886364
9 AGA 0.637681 0.977273
10 P3A 0.623377 0.955556
11 NKP 0.58209 0.869565
12 LPX 0.58209 0.788462
13 OLC 0.571429 0.727273
14 OLB 0.571429 0.727273
15 LAP 0.557143 0.719298
16 K6G 0.557143 0.719298
17 LPC 0.557143 0.719298
18 LP3 0.557143 0.719298
19 MVC 0.546875 0.727273
20 78N 0.53125 0.727273
21 78M 0.53125 0.727273
22 PGT 0.520548 0.933333
23 LHG 0.520548 0.933333
24 1WV 0.515625 0.727273
25 S12 0.5 0.788462
26 42H 0.493671 0.706897
27 PX2 0.492754 0.866667
28 PX8 0.492754 0.866667
29 L2C 0.484375 0.681818
30 DGA 0.484375 0.681818
31 1EM 0.484375 0.681818
32 DDR 0.484375 0.681818
33 FAW 0.484375 0.681818
34 PA8 0.478261 0.866667
35 CD4 0.472973 0.888889
36 PGW 0.463415 0.913043
37 D3D 0.463415 0.913043
38 PC1 0.461538 0.672727
39 MC3 0.461538 0.672727
40 PCF 0.461538 0.672727
41 PGV 0.457831 0.913043
42 DR9 0.457831 0.913043
43 F57 0.457143 0.847826
44 7PH 0.457143 0.847826
45 LPP 0.457143 0.847826
46 6PH 0.457143 0.847826
47 3PH 0.457143 0.847826
48 PGK 0.452381 0.875
49 P6L 0.452381 0.913043
50 7P9 0.450704 0.847826
51 OZ2 0.447059 0.913043
52 TGL 0.444444 0.636364
53 CN6 0.4375 0.888889
54 DGG 0.436782 0.875
55 LBR 0.43662 0.666667
56 PVC 0.434783 0.680851
57 CN5 0.428571 0.869565
58 CN3 0.426829 0.888889
59 44G 0.426667 0.933333
60 1AG 0.414286 0.727273
61 LBN 0.413793 0.660714
62 L9R 0.413793 0.660714
63 POV 0.413793 0.660714
64 P5S 0.4125 0.788462
65 3PE 0.410256 0.773585
66 8PE 0.410256 0.773585
67 PEF 0.410256 0.773585
68 PEH 0.410256 0.773585
69 PEV 0.410256 0.773585
70 PTY 0.410256 0.773585
71 G2A 0.409836 0.681818
72 2JT 0.409836 0.681818
73 PD7 0.408451 0.847826
74 M7U 0.405063 0.847826
75 D21 0.405063 0.829787
76 PEE 0.405063 0.792453
77 9PE 0.405063 0.773585
78 PIE 0.404494 0.784314
79 8SP 0.4 0.788462
80 BQ9 0.4 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: PGM; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TUK; Ligand: PGM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1tuk.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1TUK; Ligand: PGM; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1tuk.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback