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 220 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 186 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 157 families.
1 1TUK - PGM C22 H44 O9 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGM; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 PGM 1 1
2 NKO 0.672414 0.888889
3 NKN 0.672414 0.888889
4 1QW 0.666667 0.744186
5 GYM 0.666667 0.744186
6 CDL 0.641791 0.886364
7 AGA 0.637681 0.977273
8 P3A 0.623377 0.955556
9 NKP 0.58209 0.869565
10 OLB 0.571429 0.727273
11 OLC 0.571429 0.727273
12 LPC 0.557143 0.719298
13 LP3 0.557143 0.719298
14 LAP 0.557143 0.719298
15 MVC 0.546875 0.727273
16 78M 0.53125 0.727273
17 78N 0.53125 0.727273
18 PGT 0.520548 0.933333
19 LHG 0.520548 0.933333
20 S12 0.5 0.788462
21 42H 0.493671 0.706897
22 PX2 0.492754 0.866667
23 PX8 0.492754 0.866667
24 1EM 0.484375 0.681818
25 FAW 0.484375 0.681818
26 DGA 0.484375 0.681818
27 DDR 0.484375 0.681818
28 L2C 0.484375 0.681818
29 PA8 0.478261 0.866667
30 3PE 0.473684 0.764706
31 CD4 0.472973 0.888889
32 PGW 0.463415 0.913043
33 D3D 0.463415 0.913043
34 PCF 0.461538 0.672727
35 MC3 0.461538 0.672727
36 PC1 0.461538 0.672727
37 PGV 0.457831 0.913043
38 DR9 0.457831 0.913043
39 F57 0.457143 0.847826
40 3PH 0.457143 0.847826
41 LPP 0.457143 0.847826
42 6PH 0.457143 0.847826
43 7PH 0.457143 0.847826
44 PGK 0.452381 0.875
45 P6L 0.452381 0.913043
46 7P9 0.450704 0.847826
47 OZ2 0.447059 0.913043
48 TGL 0.444444 0.636364
49 CN6 0.4375 0.888889
50 DGG 0.436782 0.875
51 LBR 0.43662 0.666667
52 PVC 0.434783 0.680851
53 CN5 0.428571 0.869565
54 CN3 0.426829 0.888889
55 44G 0.426667 0.933333
56 1AG 0.414286 0.727273
57 L9R 0.413793 0.660714
58 POV 0.413793 0.660714
59 P5S 0.4125 0.788462
60 PEV 0.410256 0.773585
61 8PE 0.410256 0.773585
62 PTY 0.410256 0.773585
63 PEH 0.410256 0.773585
64 PEF 0.410256 0.773585
65 G2A 0.409836 0.681818
66 2JT 0.409836 0.681818
67 PD7 0.408451 0.847826
68 9PE 0.405063 0.773585
69 D21 0.405063 0.829787
70 PEE 0.405063 0.792453
71 M7U 0.405063 0.847826
72 PIE 0.404494 0.784314
73 BQ9 0.4 0.666667
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
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