Structure of PDB 2a2g Chain C Binding Site BS01

Receptor Information
>2a2g Chain C (length=158) Species: 10116 (Rattus norvegicus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EEASSTRGNLDVAKLNGDWFSIVVASNKREKIEENGSMRVFMQHIDVLEN
SLGFKFRIKENGECRELYLVAYKTPEDGEYFVEYDGGNTFTILKTDYDRY
VMFHLINFKNGETFQLMVLYGRTKDLSSDIKEKFAKLCEAHGITRDNIID
LTKTDRCL
Ligand information
Ligand IDLEO
InChIInChI=1S/C10H16O/c1-7(2)8-4-5-10(3)9(6-8)11-10/h8-9H,1,4-6H2,2-3H3/t8-,9-,10+/m1/s1
InChIKeyCCEFMUBVSUDRLG-BBBLOLIVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(=C)[C@@H]1CC[C@]2([C@@H](C1)O2)C
OpenEye OEToolkits 1.5.0CC(=C)C1CCC2(C(C1)O2)C
CACTVS 3.341CC(=C)[CH]1CC[C]2(C)O[CH]2C1
CACTVS 3.341CC(=C)[C@@H]1CC[C@]2(C)O[C@@H]2C1
ACDLabs 10.04O1C2(C)CCC(/C(=C)C)CC12
FormulaC10 H16 O
NameD-LIMONENE 1,2-EPOXIDE
ChEMBL
DrugBank
ZINCZINC000004097365
PDB chain2a2g Chain C Residue 203 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB2a2g The structures of alpha 2u-globulin and its complex with a hyaline droplet inducer.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		F54 L105 Y120
Binding residue
(residue number reindexed from 1)		F54 L105 Y120
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0036094 small molecule binding

View graph for
Molecular Function
External links
PDB RCSB:2a2g, PDBe:2a2g, PDBj:2a2g
PDBsum2a2g
PubMed10089305
UniProtP02761|MUP_RAT Major urinary protein

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