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 199 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 166 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 141 families.
1 1TUK - PGM C22 H44 O9 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGM; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 PGM 1 1
2 NKN 0.672414 0.888889
3 GYM 0.666667 0.744186
4 CDL 0.641791 0.886364
5 AGA 0.637681 0.977273
6 P3A 0.623377 0.955556
7 NKP 0.58209 0.869565
8 OLB 0.571429 0.727273
9 OLC 0.571429 0.727273
10 LAP 0.557143 0.719298
11 LPC 0.557143 0.719298
12 LP3 0.557143 0.719298
13 MVC 0.546875 0.727273
14 78M 0.53125 0.727273
15 78N 0.53125 0.727273
16 LHG 0.520548 0.933333
17 PGT 0.520548 0.933333
18 S12 0.5 0.788462
19 42H 0.493671 0.706897
20 PX2 0.492754 0.866667
21 L2C 0.484375 0.681818
22 DDR 0.484375 0.681818
23 DGA 0.484375 0.681818
24 3PE 0.473684 0.764706
25 CD4 0.472973 0.888889
26 PGW 0.463415 0.913043
27 MC3 0.461538 0.672727
28 PCF 0.461538 0.672727
29 PC1 0.461538 0.672727
30 DR9 0.457831 0.913043
31 PGV 0.457831 0.913043
32 3PH 0.457143 0.847826
33 LPP 0.457143 0.847826
34 6PH 0.457143 0.847826
35 7PH 0.457143 0.847826
36 PGK 0.452381 0.875
37 P6L 0.452381 0.913043
38 7P9 0.450704 0.847826
39 OZ2 0.447059 0.913043
40 TGL 0.444444 0.636364
41 CN6 0.4375 0.888889
42 DGG 0.436782 0.875
43 LBR 0.43662 0.666667
44 PVC 0.434783 0.680851
45 CN5 0.428571 0.869565
46 CN3 0.426829 0.888889
47 44G 0.426667 0.933333
48 1AG 0.414286 0.727273
49 L9R 0.413793 0.660714
50 P5S 0.4125 0.788462
51 PEH 0.410256 0.773585
52 8PE 0.410256 0.773585
53 PTY 0.410256 0.773585
54 PEF 0.410256 0.773585
55 PEV 0.410256 0.773585
56 2JT 0.409836 0.681818
57 G2A 0.409836 0.681818
58 PD7 0.408451 0.847826
59 9PE 0.405063 0.773585
60 M7U 0.405063 0.847826
61 PEE 0.405063 0.792453
62 PIE 0.404494 0.784314
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1TUK; Ligand: PGM; Similar sites found: 9
This union binding pocket(no: 1) in the query (biounit: 1tuk.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4HIA FMN 0.002003 0.46768 None
2 2Z6C FMN 0.005064 0.42616 None
3 1YRX FMN 0.01084 0.40417 None
4 4R38 RBF 0.01853 0.40063 None
5 3RI1 3RH 0.02428 0.40245 10.4478
6 5SVV FMN 0.01684 0.40265 11.9403
7 3L9R L9Q 0.005073 0.44583 14.9254
8 4OAS 2SW 0.01576 0.41711 26.8657
9 2VHW NAI 0.04312 0.40105 38.806
Pocket No.: 2; Query (leader) PDB : 1TUK; Ligand: PGM; Similar sites found: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
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