2025-11-08_00000341|ligand|9YDG

Crystal structure of the human DCAF1 WDR domain in complex with OICR-41074; X-ray diffraction 1.54Å

Protein #1 315 residues (95% resolved)

Raw Sequence ...

GASAFRPISVFREANEDESGFTCCAFSARERFLMLGTCTGQLKLYNVFSGQEEASYNCHNSAITHLEPSRDGSLLLTSATWSQPLSALWGMKSVFDMKHSFTEDHYVEFSKHSQDRVIGTKGDIAHIYDIQTGNKLLTLFNPDLANNYKRNCATFNPTDDLVLNDGVLWDVRSAQAIHKFDKFNMNISGVFHPNGLEVIINTEIWDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQADDEDDLMEERMKSPFGSSFRTFNATDYKPIATIDVKRNIFDLCTDTKDCYLAVIENQGSMDALNMDTVCRLYEVG

Canonical Sequence ...

Non polymer #2 A1CU7

InChI=1S/C27H24Cl2F2N4O4/c28-16-2-3-17(21(31)12-16)26-18(14-33-22(26)5-6-25(37)35-7-9-39-10-8-35)27(38)34-23(13-24(32)36)15-1-4-20(30)19(29)11-15/h1-6,11-12,14,23,33H,7-10,13H2,(H2,32,36)(H,34,38)/b6-5+/t23-/m0/s1

InChI=1S/C27H24Cl2F2N4O4/c28-16-2-3-17(21(31)12-16)26-18(14-33-22(26)5-6-25(37)35-7-9-39-10-8-35)27(38)34-23(13-24(32)36)15-1-4-20(30)19(29)11-15/h1-6,11-12,14,23,33H,7-10,13H2,(H2,32,36)(H,34,38)/b6-5+/t23-/m0/s1

SMILES: c1cc(c(cc1[C@H](CC(=O)N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)/C=C/C(=O)N4CCOCC4)Cl)F

c1cc(c(cc1[C@H](CC(=O)N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)/C=C/C(=O)N4CCOCC4)Cl)F

Non polymer #3 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)O

Non polymer #4 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Biounit #1 monomer

Biounit #2 monomer

Reference