2026-01-10_00000477
|
ligand
|
9Y4Q
Crystal structure of the human DCAF1 WDR domain in complex with OICR-40102;
X-ray diffraction 1.48Å
Protein #1
315 residues (95% resolved)
Raw Sequence ...
GASAFRPISVFREANEDESGFTCCAFSARERFLMLGTCTGQLKLYNVFSGQEEASYNCHNSAITHLEPSRDGSLLLTSATWSQPLSALWGMKSVFDMKHSFTEDHYVEFSKHSQDRVIGTKGDIAHIYDIQTGNKLLTLFNPDLANNYKRNCATFNPTDDLVLNDGVLWDVRSAQAIHKFDKFNMNISGVFHPNGLEVIINTEIWDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQADDEDDLMEERMKSPFGSSFRTFNATDYKPIATIDVKRNIFDLCTDTKDCYLAVIENQGSMDALNMDTVCRLYEVG
Canonical Sequence ...
GASAFRPISVFREANEDESGFTCCAFSARERFLMLGTCTGQLKLYNVFSGQEEASYNCHNSAITHLEPSRDGSLLLTSATWSQPLSALWGMKSVFDMKHSFTEDHYVEFSKHSQDRVIGTKGDIAHIYDIQTGNKLLTLFNPDLANNYKRNCATFNPTDDLVLNDGVLWDVRSAQAIHKFDKFNMNISGVFHPNGLEVIINTEIWDLRTFHLLHTVPALDQCRVVFNHTGTVMYGAMLQADDEDDLMEERMKSPFGSSFRTFNATDYKPIATIDVKRNIFDLCTDTKDCYLAVIENQGSMDALNMDTVCRLYEVG
Non polymer #2
A1CR9
InChI=1S/C24H17Cl2F2N5O2/c25-14-2-3-15(19(28)6-14)22-16(10-32-23(22)13-8-30-11-31-9-13)24(35)33-20(7-21(29)34)12-1-4-18(27)17(26)5-12/h1-6,8-11,20,32H,7H2,(H2,29,34)(H,33,35)/t20-/m0/s1
InChI=1S/C24H17Cl2F2N5O2/c25-14-2-3-15(19(28)6-14)22-16(10-32-23(22)13-8-30-11-31-9-13)24(35)33-20(7-21(29)34)12-1-4-18(27)17(26)5-12/h1-6,8-11,20,32H,7H2,(H2,29,34)(H,33,35)/t20-/m0/s1
SMILES: c1cc(c(cc1[C@H](CC(=O)N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)c4cncnc4)Cl)F
c1cc(c(cc1[C@H](CC(=O)N)NC(=O)c2c[nH]c(c2c3ccc(cc3F)Cl)c4cncnc4)Cl)F
Biounit #1
homo-dimer
Download coordinates
Tube
Model
Reference
100%