2025-11-08_00000342
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ligand
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9YE4
Crystal structure of the human DCAF1 WDR domain in complex with OICR-41110;
X-ray diffraction 1.74Å
Protein #1
315 residues (95% resolved)
Raw Sequence ...
GASAFRPISVFREANEDESGFTCCAFSARERFLMLGTCTGQLKLYNVFSGQEEASYNCHNSAITHLEPSRDGSLLLTSATWSQPLSALWGMKSVFDMKHSFTEDHYVEFSKHSQDRVIGTKGDIAHIYDIQTGNKLLTLFNPDLANNYKRNCATFNPTDDLVLNDGVLWDVRSAQAIHKFDKFNMNISGVFHPNGLEVIINTEIWDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQADDEDDLMEERMKSPFGSSFRTFNATDYKPIATIDVKRNIFDLCTDTKDCYLAVIENQGSMDALNMDTVCRLYEVG
Canonical Sequence ...
GASAFRPISVFREANEDESGFTCCAFSARERFLMLGTCTGQLKLYNVFSGQEEASYNCHNSAITHLEPSRDGSLLLTSATWSQPLSALWGMKSVFDMKHSFTEDHYVEFSKHSQDRVIGTKGDIAHIYDIQTGNKLLTLFNPDLANNYKRNCATFNPTDDLVLNDGVLWDVRSAQAIHKFDKFNMNISGVFHPNGLEVIINTEIWDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQADDEDDLMEERMKSPFGSSFRTFNATDYKPIATIDVKRNIFDLCTDTKDCYLAVIENQGSMDALNMDTVCRLYEVG
Non polymer #2
A1CVQ
InChI=1S/C28H24Cl2F2N4O2/c29-18-5-6-19(23(32)15-18)27-20(16-34-25(27)8-9-26(37)36-12-2-1-3-13-36)28(38)35-24(10-11-33)17-4-7-22(31)21(30)14-17/h4-9,14-16,24,34H,1-3,10,12-13H2,(H,35,38)/b9-8+/t24-/m0/s1
InChI=1S/C28H24Cl2F2N4O2/c29-18-5-6-19(23(32)15-18)27-20(16-34-25(27)8-9-26(37)36-12-2-1-3-13-36)28(38)35-24(10-11-33)17-4-7-22(31)21(30)14-17/h4-9,14-16,24,34H,1-3,10,12-13H2,(H,35,38)/b9-8+/t24-/m0/s1
SMILES: c1cc(c(cc1[C@H](CC#N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)/C=C/C(=O)N4CCCCC4)Cl)F
c1cc(c(cc1[C@H](CC#N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)/C=C/C(=O)N4CCCCC4)Cl)F
Non polymer #3
EDO
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2
SMILES: C(CO)O
C(CO)O
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
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