Structure of PDB 1n89 Chain A Binding Site BS01

Receptor Information

>1n89 Chain A (length=67) Species: 4567 (Triticum turgidum subsp. durum)

ACQASQLAVCASAILSGAKPSGECCGNLRAQQGCFCQYAKDPTYGQYIRS
PHARDTLTSCGLAVPHC

Ligand information

• Ligand ID: PGM
• InChI: InChI=1S/C22H45O9P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(26)29-17-21(25)19-31-32(27,28)30-18-20(24)16-23/h20-21,23-25H,2-19H2,1H3,(H,27,28)/p-1/t20-,21-/m0/s1
• InChIKey: BVJSKAUUFXBDOB-SFTDATJTSA-M
• SMILES:
  OpenEye OEToolkits 1.7.5: CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)([O-])OCC(CO)O)O
  CACTVS 3.385: CCCCCCCCCCCCCCCC(=O)OC[C@H](O)CO[P]([O-])(=O)OC[C@@H](O)CO
  OpenEye OEToolkits 1.7.5: CCCCCCCCCCCCCCCC(=O)OC[C@@H](COP(=O)([O-])OC[C@H](CO)O)O
  ACDLabs 10.04: O=C(OCC(O)COP([O-])(=O)OCC(O)CO)CCCCCCCCCCCCCCC
  CACTVS 3.385: CCCCCCCCCCCCCCCC(=O)OC[CH](O)CO[P]([O-])(=O)OC[CH](O)CO
• Formula: C22 H44 O9 P
• Name: 1-MYRISTOYL-2-HYDROXY-SN-GLYCERO-3-[PHOSPHO-RAC-(1-GLYCEROL)];
  LYSOPHOSPHATIDYLGLYCEROL
• DrugBank: DB03438
• PDB chain: 1n89 Chain A Residue 68

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1n89 Refined solution structure of a liganded type 2 wheat nonspecific lipid transfer protein.
• Resolution: N/A
• Binding residue (original residue number in PDB): L7 F35 Y44 Y47 I48 R54 L57 P65 H66
• Binding residue (residue number reindexed from 1): L7 F35 Y44 Y47 I48 R54 L57 P65 H66
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0008289 lipid binding

Biological Process

• GO:0006869 lipid transport
• GO:0071555 cell wall organization

Cellular Component

• GO:0005576 extracellular region

External links

• PDB: RCSB:1n89, PDBe:1n89, PDBj:1n89
• PDBsum: 1n89
• PubMed: 12525478
• UniProt: P82900|NLT2G_WHEAT Non-specific lipid-transfer protein 2G