Structure of PDB 1uw5 Chain A Binding Site BS01

Receptor Information
>1uw5 Chain A (length=269) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MVLLKEYRVILPVSVDEYQVGQLYSVAEASKNETGGGEGVEVLVNEPYEK
DGEKGQYTHKIYHLQSKVPTFVRMLAPEGALNIHEKAWNAYPYCRTVITN
EYMKEDFLIKIETWHKPDLGTQENVHKLEPEAWKHVEAVYIDIADRSQVL
SKDYKAEEDPAKFKSIKTGRGPLGPNWKQELVNQKDCPYMCAYKLVTVKF
KWWGLQNKVENFIHKQERRLFTNFHRQLFCWLDKWVDLTMDDIRRMEEET
KRQLDEMRQKDPVKGMTAD
Ligand information
Ligand IDPIE
InChIInChI=1S/C43H81O13P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-37(45)55-35(34-54-57(51,52)56-43-41(49)39(47)38(46)40(48)42(43)50)33-53-36(44)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,35,38-43,46-50H,3-16,19-34H2,1-2H3,(H,51,52)/p-1/b18-17+/t35-,38-,39-,40+,41-,42-,43-/m1/s1
InChIKeyPDLAMJKMOKWLAJ-OJERQSHOSA-M
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)([O-])OC1[C@@H]([C@H](C([C@H]([C@H]1O)O)O)O)O)OC(=O)CCCCCCC\C=C\CCCCCCCC
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OC1C(C(C(C(C1O)O)O)O)O)OC(=O)CCCCCCCC=CCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P]([O-])(=O)O[C@H]1[C@H](O)[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O)OC(=O)CCCCCCC\C=C\CCCCCCCC
ACDLabs 10.04O=C(OCC(OC(=O)CCCCCCC/C=C/CCCCCCCC)COP([O-])(=O)OC1C(O)C(O)C(O)C(O)C1O)CCCCCCCCCCCCCCC
CACTVS 3.341CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P]([O-])(=O)O[CH]1[CH](O)[CH](O)[CH](O)[CH](O)[CH]1O)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC43 H80 O13 P
Name1,2-DIACYL-SN-GLYCERO-3-PHOSPHOINOSITOL
ChEMBL
DrugBankDB02144
ZINC
PDB chain1uw5 Chain A Residue 1270 [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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PDB1uw5 Structure-Function Analysis of Human [Corrected] Phosphatidylinositol Transfer Protein Alpha Bound to Phosphatidylinositol.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		V26 T58 K60 Y62 I83 E85 T96 I98 I111 K194 E217 L220 F224
Binding residue
(residue number reindexed from 1)		V26 T58 K60 Y62 I83 E85 T96 I98 I111 K194 E217 L220 F224
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005548 phospholipid transporter activity
GO:0008289 lipid binding
GO:0008525 phosphatidylcholine transporter activity
GO:0008526 phosphatidylinositol transfer activity
GO:0031210 phosphatidylcholine binding
GO:0035091 phosphatidylinositol binding
GO:0120019 phosphatidylcholine transfer activity
GO:1901611 phosphatidylglycerol binding
Biological Process
GO:0006629 lipid metabolic process
GO:0006869 lipid transport
GO:0007409 axonogenesis
GO:0007601 visual perception
GO:0015914 phospholipid transport
GO:0120009 intermembrane lipid transfer
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm
GO:0005829 cytosol
GO:0070062 extracellular exosome

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:1uw5, PDBe:1uw5, PDBj:1uw5
PDBsum1uw5
PubMed14962392
UniProtQ00169|PIPNA_HUMAN Phosphatidylinositol transfer protein alpha isoform (Gene Name=PITPNA)

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