2025-10-11_00000189|ligand|9RQ6

Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry E09; X-ray diffraction 1.12Å
Protein #1 145 residues (94% resolved)

MLSGLNHLTLAVSQLAPSVAFYQQLLGMTLHARWDSGAYLSCGDLWLCLSLDPQRRVTPPEESDYTHYAFSISEADFASFAARLEAAGVAVWKLNRSEGASHYFLDPDGHKLELHVGSLAQRLAACREQPYKGMVFFEQHHHHHH

MLSGLNHLTLAVSQLAPSVAFYQQLLGMTLHARWDSGAYLSCGDLWLCLSLDPQRRVTPPEESDYTHYAFSISEADFASFAARLEAAGVAVWKLNRSEGASHYFLDPDGHKLELHVGSLAQRLAACREQPYKGMVFFEQHHHHHH
Non polymer #2 A1JH8

InChI=1S/C11H14O4/c1-13-9-5-4-8(6-11(12)15-3)10(7-9)14-2/h4-5,7H,6H2,1-3H3

COc1ccc(c(c1)OC)CC(=O)OC
Non polymer #3 DMS

InChI=1S/C2H6OS/c1-4(2)3/h1-2H3

CS(=O)C
Non polymer #4 EDO

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

C(CO)O
Non polymer #5 MN

InChI=1S/Mn/q+2

[Mn+2]
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Reference