Structure of PDB 6lmt Chain F Binding Site BS01

Receptor Information

>6lmt Chain F (length=254) Species: 8090 (Oryzias latipes)

MFQFLQSNQESFMNGICGIMALASAQMYSSFEFSCPCMPEYNYTYGIGLL
IIPPIWFFLLGFVLNNNVSVLAEEWKRPTGRRTKDPSVLRYMLCSITQRS
LIAPAVWVSVTLMDGKSFLCAFSINLDIEKFGNASLVIGMTETEKLKFLA
RIPCKDLFEDNEVRVAATRYIKCISQACGWMFLLMMTFTAFLIRAIRPCF
TQAAFLKTKYWSHYIDIERKMFDETCKEHAKSFAKVCIHQYFENISGEMQ
NFHR

Ligand information

• Ligand ID: Y01
• InChI: InChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
• InChIKey: WLNARFZDISHUGS-MIXBDBMTSA-N
• SMILES:
  CACTVS 3.352: CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
  OpenEye OEToolkits 1.6.1: CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
  OpenEye OEToolkits 1.6.1: CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
  CACTVS 3.352: CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
• Formula: C31 H50 O4
• Name: CHOLESTEROL HEMISUCCINATE
• ZINC: ZINC000058638837
• PDB chain: 6lmt Chain E Residue 402

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6lmt Cryo-EM structures of calcium homeostasis modulator channels in diverse oligomeric assemblies.
• Resolution: 2.66 Å
• Binding residue (original residue number in PDB): M19 A111 V112 S115 M119
• Binding residue (residue number reindexed from 1): M13 A105 V106 S109 M113
• Annotation score: 1

External links

• PDB: RCSB:6lmt, PDBe:6lmt, PDBj:6lmt
• PDBsum: 6lmt
• PubMed: 32832629
• UniProt: H2MCM1|CAHM1_ORYLA Calcium homeostasis modulator 1 (Gene Name=CALHM1)