2025-02-01_00000281|medium|9MJG

Crystal structure of HAT1 in complex with XS380871; X-ray diffraction 2.58Å

Protein #1 322 residues (99% resolved)

Raw Sequence ...

KKLAEYKCNTNTAIELKLVRFPEDLENDIRTFFPEYTHQLFGDDETAFGYKGLKILLYYIAGSLSTMFRVEYASKVDENFDCVEADDVEGKIRQIIPPGFCTNTNDFLSLLEKEVDFKPFGTLLHTYSVLSPTGGENFTFQIYKADMTCRGFREYHERLQTFLMWFIETASFIDVDDERWHYFLVFEKYNKDGATLFATVGYMTVYNYYVYPDKTRPRVSQMLILTPFQGQGHGAQLLETVHRYYTEFPTVLDITAEDPSKSYVKLRDFVLVKLCQDLPCFSREKLMQGFNEDMAIEAQQKFKINKQHARRVYEILRLLVTD

Canonical Sequence ...

Non polymer #2 A1BLX

InChI=1S/C23H21FN2O6/c1-2-32-20-10-14(8-18(23(20)29)26(30)31)16-11-21(28)25-17-7-13(9-19(27)22(16)17)12-3-5-15(24)6-4-12/h3-6,8,10,13,16,29H,2,7,9,11H2,1H3,(H,25,28)/t13-,16+/m1/s1

SMILES: CCOc1cc(cc(c1O)N(=O)=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](C3)c4ccc(cc4)F

CCOc1cc(cc(c1O)N(=O)=O)[C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](C3)c4ccc(cc4)F

Reference