2025-10-11_00000198|ligand|9RQH

Fragment screening of FosAKP, cryo structure in complex with fragment F2X-entry H12; X-ray diffraction 1.15Å
Protein #1 145 residues (94% resolved)

MLSGLNHLTLAVSQLAPSVAFYQQLLGMTLHARWDSGAYLSCGDLWLCLSLDPQRRVTPPEESDYTHYAFSISEADFASFAARLEAAGVAVWKLNRSEGASHYFLDPDGHKLELHVGSLAQRLAACREQPYKGMVFFEQHHHHHH

MLSGLNHLTLAVSQLAPSVAFYQQLLGMTLHARWDSGAYLSCGDLWLCLSLDPQRRVTPPEESDYTHYAFSISEADFASFAARLEAAGVAVWKLNRSEGASHYFLDPDGHKLELHVGSLAQRLAACREQPYKGMVFFEQHHHHHH
Non polymer #2 DMS

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

CS(=O)C
Non polymer #3 EDO

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

C(CO)O
Non polymer #4 MN

InChI=1S/Mn/q+2

[Mn+2]
Non polymer #5 SZA

InChI=1S/C12H12N2OS/c15-12(10-3-6-13-7-4-10)14-8-5-11-2-1-9-16-11/h1-4,6-7,9H,5,8H2,(H,14,15)

c1cc(sc1)CCNC(=O)c2ccncc2
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Reference