-->
Receptor
PDB id Resolution Class Description Source Keywords
4JRB 2.41 Å NON-ENZYME: IMMUNE STRUCTURE OF COCKROACH ALLERGEN BLA G 1 TANDEM REPEAT AS A E AEQUOREA VICTORIA, BLATTELLA GERMANICAORGANISM_COMMON: JELLYFISH, GERMAN COCKROACH ALLERGEN ASTHMA NEW FOLD PROPOSED LIPID BINDING PROTEIN BINDING PROTEIN
Ref.: THE NOVEL STRUCTURE OF THE COCKROACH ALLERGEN BLA G IMPLICATIONS FOR ALLERGENICITY AND EXPOSURE ASSESSM J.ALLERGY CLIN.IMMUNOL. V. 132 1420 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
D12 A:1304;
A:1309;
A:1308;
A:1305;
A:1306;
A:1307;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
submit data
170.335 C12 H26 CCCCC...
CL A:1302;
A:1301;
Invalid;
Invalid;
none;
none;
submit data
35.453 Cl [Cl-]
PGT A:1303;
Valid;
none;
submit data
751.023 C40 H79 O10 P CCCCC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JRB 2.41 Å NON-ENZYME: IMMUNE STRUCTURE OF COCKROACH ALLERGEN BLA G 1 TANDEM REPEAT AS A E AEQUOREA VICTORIA, BLATTELLA GERMANICAORGANISM_COMMON: JELLYFISH, GERMAN COCKROACH ALLERGEN ASTHMA NEW FOLD PROPOSED LIPID BINDING PROTEIN BINDING PROTEIN
Ref.: THE NOVEL STRUCTURE OF THE COCKROACH ALLERGEN BLA G IMPLICATIONS FOR ALLERGENICITY AND EXPOSURE ASSESSM J.ALLERGY CLIN.IMMUNOL. V. 132 1420 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 208 families.
1 4JRB - PGT C40 H79 O10 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 62 families.
1 4JRB - PGT C40 H79 O10 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 42 families.
1 4JRB - PGT C40 H79 O10 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGT; Similar ligands found: 107
No: Ligand ECFP6 Tc MDL keys Tc
1 PGT 1 1
2 LHG 1 1
3 CD4 0.870968 0.954545
4 44G 0.868852 1
5 D3D 0.867647 0.977778
6 PGW 0.867647 0.977778
7 DR9 0.855072 0.977778
8 PGV 0.855072 0.977778
9 PGK 0.842857 0.93617
10 P6L 0.842857 0.977778
11 OZ2 0.830986 0.977778
12 DGG 0.808219 0.93617
13 CN3 0.771429 0.954545
14 PTY 0.746269 0.826923
15 PEV 0.746269 0.826923
16 PEH 0.746269 0.826923
17 8PE 0.746269 0.826923
18 PEF 0.746269 0.826923
19 CN6 0.742857 0.954545
20 P5S 0.73913 0.843137
21 PEE 0.735294 0.811321
22 9PE 0.735294 0.826923
23 HGX 0.714286 0.701754
24 PC7 0.714286 0.701754
25 LIO 0.714286 0.701754
26 PLD 0.714286 0.701754
27 HGP 0.714286 0.701754
28 6PL 0.714286 0.701754
29 3PH 0.703125 0.911111
30 7PH 0.703125 0.911111
31 LPP 0.703125 0.911111
32 6PH 0.703125 0.911111
33 F57 0.703125 0.911111
34 PX8 0.692308 0.888889
35 7P9 0.692308 0.911111
36 PX2 0.692308 0.888889
37 AGA 0.666667 0.955556
38 XP5 0.661972 0.701754
39 LOP 0.657895 0.811321
40 L9Q 0.657895 0.811321
41 6OU 0.657895 0.811321
42 PII 0.648649 0.84
43 CDL 0.647887 0.866667
44 PD7 0.646154 0.911111
45 P50 0.64557 0.807692
46 PSF 0.633803 0.843137
47 TGL 0.633333 0.659091
48 PCW 0.632911 0.689655
49 ZPE 0.620253 0.811321
50 PCK 0.617284 0.666667
51 M7U 0.616438 0.911111
52 D21 0.616438 0.891304
53 PIF 0.61039 0.823529
54 P3A 0.609756 0.934783
55 PIZ 0.6 0.803922
56 GP7 0.595238 0.811321
57 FAW 0.59375 0.704545
58 L2C 0.59375 0.704545
59 DGA 0.59375 0.704545
60 DDR 0.59375 0.704545
61 44E 0.590909 0.911111
62 PEK 0.590361 0.811321
63 IP9 0.5875 0.803922
64 52N 0.5875 0.823529
65 PIO 0.5875 0.823529
66 PSC 0.581395 0.689655
67 B7N 0.578313 0.823529
68 3PE 0.565789 0.75
69 MC3 0.551282 0.660714
70 PCF 0.551282 0.660714
71 PC1 0.551282 0.660714
72 GYM 0.539683 0.727273
73 1QW 0.539683 0.727273
74 PDK 0.537634 0.716667
75 LBR 0.535211 0.652174
76 LPC 0.526316 0.736842
77 LAP 0.526316 0.736842
78 LP3 0.526316 0.736842
79 PGM 0.520548 0.933333
80 PIE 0.517241 0.769231
81 T7X 0.516484 0.823529
82 NKO 0.507246 0.911111
83 NKN 0.507246 0.911111
84 2JT 0.5 0.666667
85 G2A 0.5 0.666667
86 EPH 0.5 0.811321
87 POV 0.494253 0.649123
88 L9R 0.494253 0.649123
89 S12 0.493976 0.807692
90 SQD 0.482759 0.640625
91 CN5 0.481013 0.933333
92 OLB 0.472222 0.711111
93 OLC 0.472222 0.711111
94 42H 0.470588 0.724138
95 DGD 0.467391 0.618182
96 1O2 0.456522 0.6
97 MVC 0.452055 0.711111
98 3TF 0.451613 0.6
99 NKP 0.448718 0.891304
100 PCJ 0.44186 0.607143
101 78N 0.438356 0.711111
102 78M 0.438356 0.711111
103 DLP 0.43617 0.649123
104 1L2 0.42 0.6
105 DB4 0.402439 0.764706
106 PBU 0.4 0.764706
107 GGD 0.4 0.607143
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JRB; Ligand: PGT; Similar sites found with APoc: 3
This union binding pocket(no: 1) in the query (biounit: 4jrb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
1 4FR3 0V4 3.4188
2 3KO0 TFP 14.8515
3 4OGQ UMQ 26.4706
APoc FAQ
Feedback