Receptor
PDB id Resolution Class Description Source Keywords
5V13 1.84 Å NON-ENZYME: BINDING MOSQUITO JUVENILE HORMONE-BINDING PROTEIN AEDES AEGYPTI ODORANT-BINDING PROTEIN AEDES ANOPHELES CULEX D7 HORMONPROTEIN
Ref.: A MOSQUITO HEMOLYMPH ODORANT-BINDING PROTEIN FAMILY SPECIFICALLY BINDS JUVENILE HORMONE. J. BIOL. CHEM. V. 292 15329 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
JH3 B:301;
A:301;
C:301;
Valid;
Valid;
Valid;
none;
none;
none;
Kd = 23.3 nM
266.376 C16 H26 O3 C/C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5V13 1.84 Å NON-ENZYME: BINDING MOSQUITO JUVENILE HORMONE-BINDING PROTEIN AEDES AEGYPTI ODORANT-BINDING PROTEIN AEDES ANOPHELES CULEX D7 HORMONPROTEIN
Ref.: A MOSQUITO HEMOLYMPH ODORANT-BINDING PROTEIN FAMILY SPECIFICALLY BINDS JUVENILE HORMONE. J. BIOL. CHEM. V. 292 15329 2017
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 5V13 Kd = 23.3 nM JH3 C16 H26 O3 C/C(=CCC/C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 5V13 Kd = 23.3 nM JH3 C16 H26 O3 C/C(=CCC/C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 5V13 Kd = 23.3 nM JH3 C16 H26 O3 C/C(=CCC/C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: JH3; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 JH3 1 1
2 2TX 0.553571 0.8
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5V13; Ligand: JH3; Similar sites found: 45
This union binding pocket(no: 1) in the query (biounit: 5v13.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4TV1 36M 0.007826 0.42633 None
2 2QLX RM4 0.01523 0.41552 None
3 3AQT RCO 0.00525 0.44129 1.22449
4 1J78 OLA 0.01722 0.40188 2.08333
5 3HP9 CF1 0.0164 0.41231 2.28216
6 4LH7 NMN 0.01896 0.40788 2.43056
7 3OID TCL 0.02312 0.40228 2.71318
8 3O01 DXC 0.0003459 0.51704 2.77778
9 3G58 988 0.00918 0.41367 2.77778
10 2WH8 II2 0.01218 0.41199 2.77778
11 5H06 MAL 0.03138 0.40038 2.77778
12 3ZQE DXC 0.02091 0.4129 3.125
13 2Z9I GLY ALA THR VAL 0.02515 0.40885 3.125
14 5KD8 TNR 0.02237 0.40301 3.125
15 3BPX SAL 0.02062 0.40958 3.37838
16 4ARE FLC 0.006183 0.43806 3.47222
17 5E70 RCD 0.03218 0.40433 3.47222
18 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.02278 0.40442 3.91304
19 3KP6 SAL 0.02953 0.41082 3.97351
20 4ZGM 32M 0.02591 0.41243 4.09836
21 1XMY ROL 0.008792 0.41901 4.16667
22 1XM4 PIL 0.01158 0.40477 4.16667
23 5C1M OLC 0.004664 0.45102 4.8
24 4MRP GSH 0.03236 0.41505 4.86111
25 1ZPD CIT 0.0009729 0.48249 5.20833
26 3RV5 DXC 0.003179 0.40974 5.61798
27 1MT1 AG2 0.02107 0.40435 6.19469
28 2QEH SRO 0.005974 0.42734 6.2069
29 4WH9 3M8 0.002821 0.46103 6.55738
30 3TL1 JRO 0.003244 0.44579 6.91824
31 3KO0 TFP 0.01216 0.4151 6.93069
32 2UW1 GVM 0.008194 0.42471 7.63889
33 5KOD IAC 0.01718 0.40871 8.68056
34 1RVX NAG 0.0002471 0.40489 9.375
35 3TDC 0EU 0.001772 0.46798 9.72222
36 4R29 SAM 0.005992 0.42263 10.7143
37 5UGW GSH 0.00004825 0.51064 10.8571
38 5V4R MGT 0.03078 0.40148 11.7284
39 2VWA PTY 0.02037 0.41386 11.8812
40 3N7S 3N7 0.01603 0.42373 13.0435
41 5TVI MYR 0.003847 0.4474 14.1304
42 5MWE TCE 0.02348 0.40193 14.8148
43 5XNA SHV 0.01442 0.41864 28.2609
44 3NHT U46 0.0000001757 0.54158 35.0694
45 3DZT EAH 0.00000008238 0.58562 37.5
Pocket No.: 2; Query (leader) PDB : 5V13; Ligand: JH3; 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: 5v13.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5V13; Ligand: JH3; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5v13.bio1) has 21 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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