Structure of PDB 6iwo Chain A Binding Site BS01

Receptor Information
>6iwo Chain A (length=92) Species: 4111 () [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVTCGQVDANLAPCVPFLTQGGEPGAACCSGVKTLNGNAQSPDDRKTACN
CIKAAANRYPNLKDDAAQSLPSKCGISLNVPISRTINCDTIS
Ligand information
Ligand IDMYR
InChIInChI=1S/C14H28O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14(15)16/h2-13H2,1H3,(H,15,16)
InChIKeyTUNFSRHWOTWDNC-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCC(O)=O
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCC(=O)O
ACDLabs 12.01O=C(O)CCCCCCCCCCCCC
FormulaC14 H28 O2
NameMYRISTIC ACID
ChEMBLCHEMBL111077
DrugBankDB08231
ZINCZINC000001530417
PDB chain6iwo Chain A Residue 102 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6iwo Structural insights into the lipid transfer mechanism of a non-specific lipid transfer protein.
Resolution2.35 Å
Binding residue
(original residue number in PDB)		Q40 R45 S77 L78 N79
Binding residue
(residue number reindexed from 1)		Q40 R45 S77 L78 N79
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006869 lipid transport
Cellular Component
GO:0016020 membrane

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Cellular Component
External links
PDB RCSB:6iwo, PDBe:6iwo, PDBj:6iwo
PDBsum6iwo
PubMed31793077
UniProtA0A247D6Y2

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