Structure of PDB 6b8o Chain A Binding Site BS01

Receptor Information

>6b8o Chain A (length=109) Species: 9606 (Homo sapiens)

TTVFQGVAGQSLQVSCPYDSMKHWGRRKAWCRQLGEKGPCQRVVSTHNLW
LLSFLRRWNGSTAITDDTLGGTLTITLRNLQPHDAGLYQCQSLHGSEADT
LRKVLVEVL

Ligand information

• Ligand ID: PSF
• InChI: InChI=1S/C18H34NO10P/c1-3-5-7-9-16(20)26-11-14(29-17(21)10-8-6-4-2)12-27-30(24,25)28-13-15(19)18(22)23/h14-15H,3-13,19H2,1-2H3,(H,22,23)(H,24,25)/t14-,15+/m1/s1
• InChIKey: MIQYPPGTNIFAPO-CABCVRRESA-N
• SMILES:
  CACTVS 3.341: CCCCCC(=O)OC[C@H](CO[P@](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCC
  OpenEye OEToolkits 1.5.0: CCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCC
  CACTVS 3.341: CCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCC
  OpenEye OEToolkits 1.5.0: CCCCCC(=O)OCC(CO[P@@](=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCC
  ACDLabs 10.04: O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCC)CCCCC
• Formula: C18 H34 N O10 P
• Name: 1,2-DICAPROYL-SN-PHOSPHATIDYL-L-SERINE;
  PHOSPHATIDYLSERINE
• PDB chain: 6b8o Chain D Residue 205

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6b8o Molecular basis for the loss-of-function effects of the Alzheimer's disease-associated R47H variant of the immune receptor TREM2.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): H67 L72 F74
• Binding residue (residue number reindexed from 1): H47 L52 F54
• Annotation score: 1

External links

• PDB: RCSB:6b8o, PDBe:6b8o, PDBj:6b8o
• PDBsum: 6b8o
• PubMed: 29794134
• UniProt: Q9NZC2|TREM2_HUMAN Triggering receptor expressed on myeloid cells 2 (Gene Name=TREM2)