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 199 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 65 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 43 families.
1 4JRB - PGT C40 H79 O10 P CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PGT; Similar ligands found: 97
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 PGW 0.867647 0.977778
6 DR9 0.855072 0.977778
7 PGV 0.855072 0.977778
8 PGK 0.842857 0.93617
9 P6L 0.842857 0.977778
10 OZ2 0.830986 0.977778
11 DGG 0.808219 0.93617
12 CN3 0.771429 0.954545
13 PEH 0.746269 0.826923
14 PTY 0.746269 0.826923
15 PEF 0.746269 0.826923
16 PEV 0.746269 0.826923
17 8PE 0.746269 0.826923
18 CN6 0.742857 0.954545
19 P5S 0.73913 0.843137
20 PEE 0.735294 0.811321
21 9PE 0.735294 0.826923
22 LIO 0.714286 0.701754
23 HGP 0.714286 0.701754
24 PLD 0.714286 0.701754
25 6PL 0.714286 0.701754
26 HGX 0.714286 0.701754
27 PC7 0.714286 0.701754
28 7PH 0.703125 0.911111
29 LPP 0.703125 0.911111
30 3PH 0.703125 0.911111
31 6PH 0.703125 0.911111
32 7P9 0.692308 0.911111
33 PX2 0.692308 0.888889
34 AGA 0.666667 0.955556
35 XP5 0.661972 0.701754
36 LOP 0.657895 0.811321
37 L9Q 0.657895 0.811321
38 PII 0.648649 0.84
39 CDL 0.647887 0.866667
40 PD7 0.646154 0.911111
41 PSF 0.633803 0.843137
42 TGL 0.633333 0.659091
43 PCW 0.632911 0.689655
44 ZPE 0.620253 0.811321
45 PCK 0.617284 0.666667
46 M7U 0.616438 0.911111
47 PIF 0.61039 0.823529
48 P3A 0.609756 0.934783
49 PIZ 0.6 0.803922
50 GP7 0.595238 0.811321
51 L2C 0.59375 0.704545
52 DGA 0.59375 0.704545
53 DDR 0.59375 0.704545
54 44E 0.590909 0.911111
55 PEK 0.590361 0.811321
56 PIO 0.5875 0.823529
57 IP9 0.5875 0.803922
58 52N 0.5875 0.823529
59 PSC 0.581395 0.689655
60 B7N 0.578313 0.823529
61 3PE 0.565789 0.75
62 MC3 0.551282 0.660714
63 PC1 0.551282 0.660714
64 PCF 0.551282 0.660714
65 GYM 0.539683 0.727273
66 PDK 0.537634 0.716667
67 LBR 0.535211 0.652174
68 LP3 0.526316 0.736842
69 LPC 0.526316 0.736842
70 LAP 0.526316 0.736842
71 PGM 0.520548 0.933333
72 PIE 0.517241 0.769231
73 T7X 0.516484 0.823529
74 NKN 0.507246 0.911111
75 EPH 0.5 0.811321
76 2JT 0.5 0.666667
77 G2A 0.5 0.666667
78 L9R 0.494253 0.649123
79 S12 0.493976 0.807692
80 SQD 0.482759 0.640625
81 CN5 0.481013 0.933333
82 OLB 0.472222 0.711111
83 OLC 0.472222 0.711111
84 42H 0.470588 0.724138
85 DGD 0.467391 0.618182
86 1O2 0.456522 0.6
87 MVC 0.452055 0.711111
88 3TF 0.451613 0.6
89 NKP 0.448718 0.891304
90 PCJ 0.44186 0.607143
91 78N 0.438356 0.711111
92 78M 0.438356 0.711111
93 DLP 0.43617 0.649123
94 1L2 0.42 0.6
95 DB4 0.402439 0.764706
96 GGD 0.4 0.607143
97 PBU 0.4 0.764706
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4JRB; Ligand: PGT; Similar sites found: 208
This union binding pocket(no: 1) in the query (biounit: 4jrb.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1UO5 PIH 0.0006853 0.50221 None
2 4F4S EFO 0.0008088 0.43681 None
3 3PJU C2E 0.002478 0.42317 1.20482
4 4B16 NAG 0.002148 0.46488 1.50376
5 3IOI 1GW 0.00676 0.41264 1.67785
6 1GJW MAL 0.0008213 0.4247 1.68269
7 1GJW GLC 0.006111 0.41884 1.68269
8 1ZFJ IMP 0.01604 0.4084 1.68269
9 1E2S CSN 0.00138 0.40302 1.68269
10 1Q0H NDP 0.01249 0.41636 1.72414
11 1Q0H FOM 0.01142 0.41636 1.72414
12 1Z42 HBA 0.008589 0.44291 1.77515
13 1Z44 NPO 0.01427 0.43147 1.77515
14 1I0Z OXM 0.006794 0.431 1.8018
15 1O68 KIV 0.006278 0.40105 1.81818
16 1E7S NAP 0.005196 0.41724 1.86916
17 3UST FAD 0.0003896 0.41368 1.87266
18 2NLI LAC 0.0142 0.41554 1.90217
19 2NLI FMN 0.0142 0.41554 1.90217
20 1YHM AHD 0.002385 0.42386 1.9337
21 3ZS7 ATP 0.005151 0.40438 2
22 3SCH TB6 0.003287 0.42423 2.0202
23 2F5T MAL 0.003701 0.40433 2.14592
24 2Q09 DI6 0.00303 0.40841 2.16346
25 3L24 GOA 0.02596 0.40245 2.16346
26 2B4Q NAP 0.002584 0.42679 2.17391
27 2HFK E4H 0.005012 0.40499 2.19436
28 1C0I FAD 0.01862 0.40735 2.20386
29 1C0I BE2 0.01862 0.40735 2.20386
30 2Q37 3AL 0.004437 0.41263 2.20994
31 2GDZ NAD 0.001029 0.44273 2.24719
32 3U1T MLI 0.0133 0.40363 2.26537
33 4NTD FAD 0.009613 0.41303 2.35294
34 4KCF AKM 0.003201 0.41404 2.42291
35 1KBJ FMN 0.004274 0.41236 2.42718
36 3U4C NDP 0.008274 0.40531 2.4911
37 2GJ3 FAD 0.003857 0.40921 2.5
38 4KQI RBZ 0.008094 0.40826 2.52809
39 4KQI NIO 0.008094 0.40826 2.52809
40 2BZ1 TAU 0.00597 0.45183 2.55102
41 1JA9 NDP 0.01155 0.43016 2.55474
42 2VAR AMP 0.003568 0.40073 2.55591
43 4MWV BCZ 0.01223 0.4077 2.57732
44 2ZWS PLM 0.001686 0.48127 2.64423
45 2Q8H TF4 0.000759 0.47739 2.7027
46 1V35 NAI 0.01573 0.407 2.73556
47 4INB 1F6 0.001014 0.42758 2.73973
48 4CMF PXG 0.01646 0.41279 2.79503
49 2H6B 3C4 0.0273 0.40615 2.8
50 4HZO COA 0.004228 0.40796 2.83019
51 1TDF FAD 0.01037 0.41897 2.8481
52 1TDF NAP 0.04086 0.4067 2.8481
53 1YBH FAD 0.03303 0.41676 2.88462
54 1X54 4AD 0.00409 0.41155 2.88462
55 2YIV YIV 0.01944 0.4021 2.88462
56 1R89 CTP 0.003517 0.40098 2.88462
57 3TO7 COA 0.0003413 0.47277 2.89855
58 3WBF NAP 0.005132 0.41356 2.95082
59 1NZY BCA 0.006399 0.40839 2.97398
60 4LWA Q13 0.002768 0.43642 3.0303
61 1H2B NAJ 0.009463 0.40792 3.06407
62 1BGQ RDC 0.004799 0.41189 3.11111
63 3V1U NAD 0.001935 0.42582 3.125
64 4W6Z ETF 0.004914 0.43011 3.17003
65 3U5S FAD 0.003935 0.40711 3.1746
66 1WUR 8DG 0.0007607 0.43628 3.18182
67 2EWM NAD 0.001042 0.44394 3.21285
68 3SQG COM 0.0289 0.40707 3.22581
69 2BGM NAJ 0.01114 0.42446 3.23741
70 2ALG HP6 0.00257 0.41417 3.26087
71 2ALG DAO 0.00257 0.41417 3.26087
72 4RJK PYR 0.002131 0.47582 3.3275
73 2DKH FAD 0.007849 0.41121 3.36538
74 2DKH 3HB 0.01434 0.40681 3.36538
75 2PT9 S4M 0.000562 0.44679 3.42679
76 1TUV VK3 0.01171 0.41944 3.50877
77 1J5P NAD 0.001918 0.42907 3.55731
78 2OHV NHL 0.002926 0.409 3.78788
79 4OYA 1VE 0.007856 0.44994 3.84615
80 2JGS BTN 0.004597 0.40919 3.84615
81 1D6H COA 0.0112 0.41498 3.87597
82 1I7L ATP 0.003509 0.4125 3.8835
83 1IUP ALQ 0.008365 0.40643 3.90071
84 1R37 NAD 0.002539 0.43227 4.03458
85 4GQB 0XU 0.007337 0.42938 4.06977
86 4M51 BEZ 0.01127 0.41324 4.08654
87 1H9G COA MYR 0.00173 0.4293 4.11523
88 3VHZ SOG 0.02924 0.40869 4.19847
89 1H8G CHT 0.01412 0.43172 4.21053
90 4O8A 2OP 0.002231 0.45458 4.32692
91 1TIW TFB 0.001212 0.45011 4.32692
92 1TIW FAD 0.001212 0.45011 4.32692
93 2V5E SCR 0.03085 0.4056 4.5
94 2YYJ FAD 0.04547 0.40853 4.56731
95 2YYJ 4HP 0.04547 0.40853 4.56731
96 2WQP WQP 0.001076 0.4374 4.58453
97 3R35 4CO 0.0008593 0.44729 4.63576
98 4P3H 25G 0.003791 0.43567 4.66321
99 3ZPG 5GP 0.002353 0.45345 4.71204
100 3BHO B4P 0.005355 0.44463 4.80769
101 1H16 PYR 0.003287 0.43827 4.80769
102 4GYW UDP 0.001965 0.43424 4.80769
103 1H16 DTL 0.01742 0.41098 4.80769
104 3O03 NAP 0.00304 0.41968 4.811
105 1SOW NAD 0.005783 0.41537 4.87805
106 3RO7 TDR 0.03859 0.41664 4.90566
107 1XE7 GUN 0.009377 0.42416 4.92611
108 4LSJ LSJ 0.000548 0.43976 5.03876
109 3WE0 FAD 0.003639 0.43548 5.04808
110 2AMV BIN 0.006901 0.42895 5.04808
111 2C7G ODP 0.01773 0.4143 5.04808
112 3GWT 066 0.003624 0.42226 5.09915
113 1C1L GAL BGC 0.003545 0.42945 5.10949
114 3RFV NAI 0.002925 0.42183 5.24345
115 2QCX PF1 0.001767 0.42928 5.32319
116 4M5P MLA 0.005387 0.4445 5.40541
117 1NVU GTP 0.008301 0.42857 5.42169
118 2C31 TZD 0.04664 0.40461 5.52885
119 2C31 ADP 0.04543 0.40461 5.52885
120 4HA6 FAD 0.002336 0.44355 5.76923
121 3F3E LEU 0.008138 0.41499 5.76923
122 2YCJ C2F 0.002568 0.40374 5.90406
123 2BLE 5GP 0.006835 0.43509 5.99455
124 8CAT NDP 0.004977 0.40321 6.00962
125 1AUA BOG 0.004231 0.40794 6.08108
126 1R6W 164 0.0007116 0.40591 6.21118
127 2D37 NAD 0.00209 0.42759 6.25
128 2D37 FMN 0.0021 0.426 6.25
129 1UW1 ADP 0.008173 0.40158 6.25
130 1XHL NDP 0.004522 0.41967 6.39731
131 1ECM TSA 0.002725 0.4102 6.42202
132 1N9L FMN 0.0002233 0.40932 6.42202
133 3NKS ACJ 0.0006171 0.40933 6.49038
134 2YBQ UP2 0.001043 0.45044 6.50685
135 3MAG 3MA 0.00319 0.45611 6.51466
136 1PR9 NAP 0.001158 0.44481 6.55738
137 3D3W NAP 0.001482 0.43781 6.55738
138 1OAA OAA 0.01746 0.40686 6.56371
139 2VJJ RAM GLC GAL NAG NAG GLC 0.008351 0.42501 6.73077
140 1OLS TDP 0.01566 0.4097 6.75
141 4EXO PYR 0.003678 0.43599 6.84932
142 1LTH NAD 0.01881 0.41588 6.89655
143 3TKA CTN 0.0007392 0.5162 6.91643
144 4O1M NAD 0.0048 0.41606 6.98413
145 3MBG FAD 0.003287 0.41682 7.19424
146 3BL6 FMC 0.002244 0.41251 7.3913
147 1U7Z PMT 0.01459 0.40028 7.52212
148 1M5B BN1 0.01077 0.4251 7.60456
149 1Y75 NAG 0.001887 0.4164 7.62712
150 1I2B UPG 0.02124 0.4109 7.67327
151 1I2B USQ 0.02124 0.4109 7.67327
152 1I2B NAD 0.02124 0.4109 7.67327
153 3RF4 FUN 0.002572 0.41663 7.75862
154 4JCA CIT 0.02251 0.41267 7.78443
155 2OWZ CIT 0.009362 0.40457 7.83133
156 3ICC NAP 0.001292 0.44156 7.84314
157 1Y1A GSH 0.04192 0.41338 8.19672
158 1DLJ UGA 0.002177 0.45033 8.20895
159 1DLJ NAI 0.006599 0.42978 8.20895
160 3GF2 SAL 0.016 0.40609 8.21918
161 1NU4 MLA 0.03418 0.40329 8.24742
162 2ZJF BSU 0.001532 0.41453 8.28729
163 1V7R CIT 0.008936 0.43326 8.60215
164 2NX1 RP5 0.005036 0.4125 8.61423
165 2NX1 PEP 0.007218 0.40632 8.61423
166 4IVG ANP 0.02869 0.4024 8.65385
167 4KCT PYR 0.0005132 0.43835 8.89423
168 4R33 TRP 0.003537 0.42522 8.89423
169 4R33 SAH 0.003537 0.42522 8.89423
170 2XDQ MGX 0.0105 0.42175 8.89423
171 1V2X SAM 0.00413 0.40447 9.27835
172 3ZUY TCH 0.0003466 0.43877 9.90712
173 1QJC PNS 0.02517 0.40665 10.1266
174 2GSD NAD 0.005211 0.42075 10.199
175 3TCT 3MI 0.01223 0.41984 10.2362
176 1SS4 CIT 0.000134 0.53308 10.4575
177 1SS4 GSH 0.001126 0.49751 10.4575
178 1T0S BML 0.002226 0.44617 10.4651
179 4AF5 CIT 0.004959 0.41651 10.5263
180 2OFE NAG 0.001285 0.44182 10.5634
181 2OFD NGA 0.003213 0.42465 10.5634
182 2YC5 6BC 0.003635 0.42712 10.9649
183 2YLD CMO 0.007172 0.40958 11.0236
184 3DDC GNP 0.006737 0.40463 11.0429
185 1Y2W NAG 0.003553 0.42277 11.2676
186 1BTN I3P 0.009772 0.44285 11.3208
187 4N7C AEF 0.002146 0.43923 11.3636
188 1XX4 BAM 0.0006902 0.4794 11.4943
189 1PEA ACM 0.004471 0.43202 11.6883
190 2E1A MSE 0.004537 0.4016 12
191 4C0C WVH 0.01936 0.4058 12.2056
192 2F01 BTQ 0.01816 0.41966 12.5984
193 1T26 GBD 0.03886 0.41609 12.7329
194 1T26 NAI 0.03886 0.41609 12.7329
195 1FIQ FAD 0.002435 0.43301 12.8571
196 1FIQ SAL 0.004216 0.4209 12.8571
197 1FIQ MTE 0.003955 0.41942 12.8571
198 3BY8 MLT 0.007286 0.4154 13.3803
199 1XVV CCQ 0.009281 0.41466 13.4804
200 3SJ0 DXC 0.01048 0.4083 14.0845
201 3FS8 ACO 0.02991 0.41782 14.652
202 4G28 0W8 0.004158 0.40307 15.4362
203 2VDJ HSE 0.009694 0.4163 15.6146
204 1JGS SAL 0.001327 0.48684 17.3913
205 1EYQ NAR 0.001395 0.42149 20.7207
206 3QDY CBS 0.004035 0.42693 27.972
207 3QDY A2G GAL 0.02036 0.40116 27.972
208 1UO4 PIH 0.006804 0.43932 29.4118
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