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BioLiP

Structure of PDB 1bwo Chain B Binding Site BS01

Receptor Information
>1bwo Chain B (length=90) Species: 4565 (Triticum aestivum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IDCGHVDSLVRPCLSYVQGGPGPSGQCCDGVKNLHNQARSQSDRQSACNC
LKGIARGIHNLNEDNARSIPPKCGVNLPYTISLNIDCSRV
Ligand information
Ligand IDLPC
InChIInChI=1S/C22H46NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-22(25)28-19-21(24)20-30-31(26,27)29-18-17-23(2,3)4/h21,24H,5-20H2,1-4H3/p+1/t21-/m1/s1
InChIKeyVXUOFDJKYGDUJI-OAQYLSRUSA-O
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC[N+](C)(C)C)O
CACTVS 3.341CCCCCCCCCCCCCC(=O)OC[C@@H](O)CO[P@@](O)(=O)OCC[N+](C)(C)C
OpenEye OEToolkits 1.5.0CCCCCCCCCCCCCC(=O)OC[C@H](CO[P@](=O)(O)OCC[N+](C)(C)C)O
CACTVS 3.341CCCCCCCCCCCCCC(=O)OC[CH](O)CO[P](O)(=O)OCC[N+](C)(C)C
ACDLabs 10.04O=C(OCC(O)COP(=O)(OCC[N+](C)(C)C)O)CCCCCCCCCCCCC
FormulaC22 H47 N O7 P
Name[1-MYRISTOYL-GLYCEROL-3-YL]PHOSPHONYLCHOLINE
ChEMBL
DrugBank
ZINCZINC000015297567
PDB chain1bwo Chain B Residue 91 [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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PDB1bwo The crystal structure of a wheat nonspecific lipid transfer protein (ns-LTP1) complexed with two molecules of phospholipid at 2.1 A resolution.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H35 R44 N76 Y79 S82 V90
Binding residue
(residue number reindexed from 1)		H35 R44 N76 Y79 S82 V90
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006869 lipid transport

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Molecular Function
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Biological Process
External links
PDB RCSB:1bwo, PDBe:1bwo, PDBj:1bwo
PDBsum1bwo
PubMed10491104
UniProtP24296|NLTP1_WHEAT Non-specific lipid-transfer protein (Fragment)

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