Structure of PDB 3bdq Chain B Binding Site BS01

Receptor Information
>3bdq Chain B (length=110) Species: 7159 (Aedes aegypti) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SPGIRMSVETIIERIKARVGAVDPNGPRKVLGVFQLNIKTASGVEQWIVD
LKQLKVDQGVFASPDVTVTVGLEDMLAISGKTLTVGDALKQGKIELSGDA
DLAAKLAEVI
Ligand information
Ligand IDPLM
InChIInChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChIKeyIPCSVZSSVZVIGE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)O
ACDLabs 10.04O=C(O)CCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(O)=O
FormulaC16 H32 O2
NamePALMITIC ACID
ChEMBLCHEMBL82293
DrugBankDB03796
ZINCZINC000006072466
PDB chain3bdq Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3bdq Three-dimensional structure/function analysis of SCP-2-like2 reveals differences among SCP-2 family members.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R23 K24 V25 V63 L101
Binding residue
(residue number reindexed from 1)		R28 K29 V30 V68 L106
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:3bdq, PDBe:3bdq, PDBj:3bdq
PDBsum3bdq
PubMed18084051
UniProtQ0GY13

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