2024-06-22_00000239|ligand|8UEC

Structure of TREK-1CG*:CAT335a; X-ray diffraction 3.00Å

Protein #1 287 residues (98% resolved)

Raw Sequence ...

SDSAINVMKWKTVSTIFLVVVLYLIIGATVFKALEQPQEISQRTTIVIQREKFLRAHPCVSDQELDELIQQIVAAINAGIIPLGASSNQVSHWDLGCSFFFAGTVITTIGFGNISPRTEGGKIFCIIYALLGIPLFGFLLAGVGDQLGTIFGKGIAKVEDTFIKWNVSQTKIRIISTIIFILFGCVLFVALPAVIFKHIEGWSALDAIYFVVITLTTIGFGDYVAGGSDIEYLDFYKPVVWFWILVGLAYFAAVLSMIGDWLRVIAKKTKEAVGEFRAHAAEWTANV

Canonical Sequence ...

Non polymer #2 16C

InChI=1S/C34H67NO3/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-33(37)32(31-36)35-34(38)30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h27,29,32-33,36-37H,3-26,28,30-31H2,1-2H3,(H,35,38)/b29-27+/t32-,33+/m0/s1

SMILES: CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C=CCCCCCCCCCCCCC)O

CCCCCCCCCCCCCCCC(=O)N[C@@H](CO)[C@@H](C=CCCCCCCCCCCCCC)O

Non polymer #3 CD

InChI=1S/Cd/q+2

SMILES: [Cd+2]

[Cd+2]

Non polymer #4 D10

InChI=1S/C10H22/c1-3-5-7-9-10-8-6-4-2/h3-10H2,1-2H3

SMILES: CCCCCCCCCC

CCCCCCCCCC

Non polymer #5 K

InChI=1S/K/q+1

SMILES: [K+]

[K+]

Non polymer #6 R16

InChI=1S/C16H34/c1-3-5-7-9-11-13-15-16-14-12-10-8-6-4-2/h3-16H2,1-2H3

SMILES: CCCCCCCCCCCCCCCC

CCCCCCCCCCCCCCCC

Non polymer #7 WUZ

InChI=1S/C19H16Cl2N2O3/c1-11-8-17(24)23(19(11)26)15-6-3-12(4-7-15)18(25)22-10-13-2-5-14(20)9-16(13)21/h2-7,9,11H,8,10H2,1H3,(H,22,25)/t11-/m1/s1

SMILES: C[C@@H]1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(cc3Cl)Cl

C[C@@H]1CC(=O)N(C1=O)c2ccc(cc2)C(=O)NCc3ccc(cc3Cl)Cl

Biounit #1 homo-dimer

Reference