Structure of PDB 1ln2 Chain B Binding Site BS01

Receptor Information
>1ln2 Chain B (length=203) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
FSEEQFWEACAELQQPALAGADWQLLVETSGISIYRLLDKKTGLYEYKVF
GVLEDCSPTLLADIYMDSDYRKQWDQYVKELYEQECNGETVVYWEVKYPF
PMSNRDYVYLRQRRDLDMEGRKIHVILARSTSMPQLGERSGVIRVKQYKQ
SLAIESDGKKGSKVFMYYFDNPGGQIPSWLINWAAKNGVPNFLKDMARAC
QNY
Ligand information
Ligand IDDLP
InChIInChI=1S/C44H80NO8P/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-34-36-43(46)50-40-42(41-52-54(48,49)51-39-38-45(3,4)5)53-44(47)37-35-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2/h14-17,20-23,42H,6-13,18-19,24-41H2,1-5H3/b16-14-,17-15-,22-20-,23-21-/t42-/m1/s1
InChIKeyFVXDQWZBHIXIEJ-LNDKUQBDSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCC\C=C/C\C=C/CCCCCCCC(=O)OC[C@H](CO[P@@](=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C\C=C/CCCCC
CACTVS 3.341CCCCCC=CCC=CCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC\C=C/C\C=C/CCCCC)COP([O-])(=O)OCC[N+](C)(C)C)CCCCCCC\C=C/C\C=C/CCCCC
OpenEye OEToolkits 1.5.0CCCCCC=CCC=CCCCCCCCC(=O)OCC(COP(=O)([O-])OCC[N+](C)(C)C)OC(=O)CCCCCCCC=CCC=CCCCCC
CACTVS 3.341CCCCC/C=C\C\C=C/CCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)OCC[N+](C)(C)C)OC(=O)CCCCCCC\C=C/C/C=C\CCCCC
FormulaC44 H80 N O8 P
Name1,2-DILINOLEOYL-SN-GLYCERO-3-PHOSPHOCHOLINE;
DI-LINOLEOYL-3-SN-PHOSPHATIDYLCHOLINE
ChEMBL
DrugBankDB04372
ZINC
PDB chain1ln2 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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PDB1ln2 Structure of human phosphatidylcholine transfer protein in complex with its ligand.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		V34 I41 Y54 Y72 R78 Y84 W101 Y114 Y155 Q157 L159 Y175 A192 V196 F199
Binding residue
(residue number reindexed from 1)		V27 I34 Y47 Y65 R71 Y77 W94 Y107 Y148 Q150 L152 Y168 A185 V189 F192
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0008289 lipid binding
GO:0008525 phosphatidylcholine transporter activity
GO:0031210 phosphatidylcholine binding
Biological Process
GO:0006869 lipid transport
GO:0015914 phospholipid transport
GO:0120163 negative regulation of cold-induced thermogenesis
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1ln2, PDBe:1ln2, PDBj:1ln2
PDBsum1ln2
PubMed12055623
UniProtQ9UKL6|PPCT_HUMAN Phosphatidylcholine transfer protein (Gene Name=PCTP)

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