2024-02-24_00000072|ligand|8IFU

HcCCR in NaCl; Electron microscopy 2.37Å

Protein #1 265 residues (98% resolved)

Raw Sequence ...

MPFCGGRPEDGWHHGSIHDMDYPLLGAMAAICSVFIGGSGAWMLYRLDLGLGYSCKPHHSGYAPEANSFSALSCLVSGTIYAAKTFDFFDGGGTPFSFNWYWYLDYVFTCPLILLDVLYTLEIPHKLRFVFAVIITLWCGVAAFVTPSAFRFGYYAVGCVWFVPFSFSLLRHVKQRYQVYPPKCQKILFWACTIFFGFWPLFPILFLFSWLGTGHIDQQAFTIIHAFLDLFCKTVFGLIMTFFRLELEEHTEVLGLPLNEPKGKH

Canonical Sequence ...

Non polymer #2 L9Q

InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1

InChI=1S/C41H80NO8P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(43)47-37-39(38-49-51(45,46)48-36-35-42)50-41(44)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h18,20,39H,3-17,19,21-38,42H2,1-2H3,(H,45,46)/b20-18-/t39-/m0/s1

SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC

CCCCCCCCCCCCCCCCCC(=O)OC[C@@H](CO[P@@](=O)(O)OCCN)OC(=O)CCCCCCC/C=CCCCCCCCC

Non polymer #3 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Non polymer #4 RET

InChI=1S/C20H28O/c1-16(8-6-9-17(2)13-15-21)11-12-19-18(3)10-7-14-20(19,4)5/h6,8-9,11-13,15H,7,10,14H2,1-5H3/b9-6+,12-11+,16-8+,17-13+

SMILES: CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C

CC1=C(C(CCC1)(C)C)/C=C/C(=C/C=C/C(=C/C=O)/C)/C

Biounit #1 homo-trimer

Reference