Structure of PDB 3aos Chain A Binding Site BS01

Receptor Information

>3aos Chain A (length=221) Species: 7091 (Bombyx mori)

ALLKPCKLGDMQCLSSATEQFLEKTSKGIPQYDIWPIDPLVVTSLDVIAP
SDAGIVIRFKNLNITGLKNQQISDFQMDTKAKTVLLKTKADLHIVGDIVI
ELTEQSKSFTGLYTADTNVIGAVRYGYNLKNDDNGVQHFEVQPETFTCES
IGEPKITLSSDLSSALEKDSGNNSLEPDMEPLKTLRQAAICKIAEACYIS
VVHNIRASAKILPASSFFENL

Ligand information

• Ligand ID: JH2
• InChI: InChI=1S/C17H28O3/c1-6-17(4)15(20-17)11-10-13(2)8-7-9-14(3)12-16(18)19-5/h8,12,15H,6-7,9-11H2,1-5H3/b13-8+,14-12+/t15-,17+/m1/s1
• InChIKey: CPVQJXZBSGXTGJ-TZDLBHCHSA-N
• SMILES:
  CACTVS 3.370: CC[C]1(C)O[CH]1CCC(C)=CCCC(C)=CC(=O)OC
  OpenEye OEToolkits 1.7.0: CC[C@]1([C@H](O1)CC/C(=C/CC/C(=C/C(=O)OC)/C)/C)C
  ACDLabs 12.01: O=C(OC)\C=C(/C)CC\C=C(/C)CCC1OC1(CC)C
  CACTVS 3.370: CC[C@]1(C)O[C@@H]1CC/C(C)=C/CC/C(C)=C/C(=O)OC
  OpenEye OEToolkits 1.7.0: CCC1(C(O1)CCC(=CCCC(=CC(=O)OC)C)C)C
• Formula: C17 H28 O3
• Name: methyl (2E,6E)-9-[(2R,3S)-3-ethyl-3-methyloxiran-2-yl]-3,7-dimethylnona-2,6-dienoate;
  JH II, Juvenile hormone II
• PDB chain: 3aos Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3aos Structural mechanism of JH delivery in hemolymph by JHBP of silkworm, Bombyx mori
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): L17 F24 Y128 F142 F220 F221
• Binding residue (residue number reindexed from 1): L14 F21 Y125 F139 F217 F218
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding

External links

• PDB: RCSB:3aos, PDBe:3aos, PDBj:3aos
• PDBsum: 3aos
• PubMed: 22355650
• UniProt: Q9U556