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 225 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 67 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 45 families.
1 4JRB - PGT C40 H79 O10 P CCCCCCCCCC....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: PGT; Similar ligands found: 121
No: Ligand ECFP6 Tc MDL keys Tc
1 LHG 1 1
2 PGT 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 PGV 0.855072 0.977778
8 DR9 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 PEF 0.746269 0.826923
15 8PE 0.746269 0.826923
16 PEV 0.746269 0.826923
17 3PE 0.746269 0.826923
18 PEH 0.746269 0.826923
19 PTY 0.746269 0.826923
20 CN6 0.742857 0.954545
21 P5S 0.73913 0.843137
22 PEE 0.735294 0.811321
23 9PE 0.735294 0.826923
24 8SP 0.724638 0.843137
25 HGX 0.714286 0.701754
26 HGP 0.714286 0.701754
27 PX4 0.714286 0.701754
28 LIO 0.714286 0.701754
29 PC7 0.714286 0.701754
30 PLD 0.714286 0.701754
31 6PL 0.714286 0.701754
32 PG8 0.710145 0.955556
33 3PH 0.703125 0.911111
34 F57 0.703125 0.911111
35 LPP 0.703125 0.911111
36 7PH 0.703125 0.911111
37 6PH 0.703125 0.911111
38 7P9 0.692308 0.911111
39 PX8 0.692308 0.888889
40 PX2 0.692308 0.888889
41 PA8 0.676923 0.888889
42 AGA 0.666667 0.955556
43 XP5 0.661972 0.701754
44 LOP 0.657895 0.811321
45 6OU 0.657895 0.811321
46 L9Q 0.657895 0.811321
47 RXY 0.649351 0.811321
48 PII 0.648649 0.84
49 CDL 0.647887 0.866667
50 PD7 0.646154 0.911111
51 P50 0.64557 0.807692
52 PSF 0.633803 0.843137
53 TGL 0.633333 0.659091
54 PCW 0.632911 0.689655
55 ZPE 0.620253 0.811321
56 PCK 0.617284 0.666667
57 D21 0.616438 0.891304
58 M7U 0.616438 0.911111
59 HXG 0.611111 0.701754
60 PIF 0.61039 0.823529
61 P3A 0.609756 0.934783
62 PIZ 0.6 0.803922
63 GP7 0.595238 0.811321
64 L2C 0.59375 0.704545
65 DDR 0.59375 0.704545
66 1EM 0.59375 0.704545
67 DGA 0.59375 0.704545
68 FAW 0.59375 0.704545
69 44E 0.590909 0.911111
70 PEK 0.590361 0.811321
71 IP9 0.5875 0.803922
72 PIO 0.5875 0.823529
73 52N 0.5875 0.823529
74 PSC 0.581395 0.689655
75 B7N 0.578313 0.823529
76 PC1 0.551282 0.660714
77 MC3 0.551282 0.660714
78 PCF 0.551282 0.660714
79 LPX 0.547945 0.807692
80 1QW 0.539683 0.727273
81 EKG 0.539683 0.727273
82 GYM 0.539683 0.727273
83 PDK 0.537634 0.716667
84 LBR 0.535211 0.652174
85 LP3 0.526316 0.736842
86 K6G 0.526316 0.736842
87 LAP 0.526316 0.736842
88 LPC 0.526316 0.736842
89 PGM 0.520548 0.933333
90 PIE 0.517241 0.769231
91 T7X 0.516484 0.823529
92 NKO 0.507246 0.911111
93 NKN 0.507246 0.911111
94 EPH 0.5 0.811321
95 G2A 0.5 0.666667
96 2JT 0.5 0.666667
97 LBN 0.494253 0.649123
98 L9R 0.494253 0.649123
99 POV 0.494253 0.649123
100 S12 0.493976 0.807692
101 SQD 0.482759 0.640625
102 CN5 0.481013 0.933333
103 OLC 0.472222 0.711111
104 OLB 0.472222 0.711111
105 42H 0.470588 0.724138
106 BQ9 0.469136 0.688889
107 DGD 0.467391 0.618182
108 1O2 0.456522 0.6
109 MVC 0.452055 0.711111
110 3TF 0.451613 0.6
111 NKP 0.448718 0.891304
112 PCJ 0.44186 0.607143
113 78M 0.438356 0.711111
114 78N 0.438356 0.711111
115 DLP 0.43617 0.649123
116 1WV 0.424658 0.711111
117 1L2 0.42 0.6
118 I35 0.402439 0.745098
119 DB4 0.402439 0.764706
120 GGD 0.4 0.607143
121 PBU 0.4 0.764706
Similar Ligands (3D)
Ligand no: 1; Ligand: PGT; 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 : 4JRB; Ligand: PGT; 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: 4jrb.bio1) has 17 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback