Structure of PDB 6vyn Chain E Binding Site BS02

Receptor Information

>6vyn Chain E (length=80) Species: 10090 (Mus musculus)

NDLCQECEDIVHLLTKMTKEDAFQEAIRKFLEQECDILPLKLLVPRCRQV
LDVYLPLVIDYFQSQINPKAICNHVGLCPR

Ligand information

• Ligand ID: RXY
• InChI: InChI=1S/C39H74NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h14,16-18,37H,3-13,15,19-36,40H2,1-2H3,(H,43,44)/b16-14-,18-17-/t37-/m1/s1
• InChIKey: RAMNOXDFBNFSFC-AVWHJSSGSA-N
• SMILES:
  CACTVS 3.385: CCCCCCCCC=CCCCCCCCC(=O)O[CH](COC(=O)CCCCCCCC=CCCCCCC)CO[P](O)(=O)OCCN
  OpenEye OEToolkits 2.0.7: CCCCCCCCC=CCCCCCCCC(=O)OC(COC(=O)CCCCCCCC=CCCCCCC)COP(=O)(O)OCCN
  OpenEye OEToolkits 2.0.7: CCCCCCCC/C=C\CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C\CCCCCC)COP(=O)(O)OCCN
  CACTVS 3.385: CCCCCCCC\C=C/CCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC\C=C/CCCCCC)CO[P](O)(=O)OCCN
  ACDLabs 12.01: CCCCCCCC\C=C/CCCCCCCC(=O)OC(COP(=O)(O)OCCN)COC(=O)CCCCCCC[C@H]=CCCCCCC
• Formula: C39 H74 N O8 P
• Name: (7Z,19R,22R)-25-amino-22-hydroxy-16,22-dioxo-17,21,23-trioxa-22lambda~5~-phosphapentacos-7-en-19-yl (9Z)-octadec-9-enoate
• ZINC: ZINC000085581141
• PDB chain: 6vyn Chain E Residue 101

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6vyn Mechanism of Lamellar Body Formation by Lung Surfactant Protein B.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): P44 Y59
• Binding residue (residue number reindexed from 1): P39 Y54
• Annotation score: 1

Gene Ontology

Biological Process

• GO:0006629 lipid metabolic process

External links

• PDB: RCSB:6vyn, PDBe:6vyn, PDBj:6vyn
• PDBsum: 6vyn
• PubMed: 33242393
• UniProt: P50405|PSPB_MOUSE Pulmonary surfactant-associated protein B (Gene Name=Sftpb)