2026-02-28_00000007|ligand|22RB

Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor; X-ray diffraction 1.75Å
Protein #1 262 residues (92% resolved)

MAAYKLVLIRHGESAWNLENRFSGWYDADLSPAGHEEAKRGGQALRDAGYEFDICFTSVQKRAIRTLWTVLDAIDQMWLPVVRTWRLNERHYGGLTGLNKAETAAKHGEAQVKIWRRSYDVPPPPMEPDHPFYSNISKDRRYADLTEDQLPSCESLKDTIARALPFWNEEIVPQIKEGKRVLIAAHGNSLRGIVKHLEGLSEEAIMELNLPTGIPIVYELDKNLKPIKPMQFLGDEETVRKAMEAVAAQGKAKKLEHHHHHH

MAAYKLVLIRHGESAWNLENRFSGWYDADLSPAGHEEAKRGGQALRDAGYEFDICFTSVQKRAIRTLWTVLDAIDQMWLPVVRTWRLNERHYGGLTGLNKAETAAKHGEAQVKIWRRSYDVPPPPMEPDHPFYSNISKDRRYADLTEDQLPSCESLKDTIARALPFWNEEIVPQIKEGKRVLIAAHGNSLRGIVKHLEGLSEEAIMELNLPTGIPIVYELDKNLKPIKPMQFLGDEETVRKAMEAVAAQGKAKKLEHHHHHH
Non polymer #2 A1E4N

InChI=1S/C24H20ClNO5S/c25-20-6-1-17(2-7-20)19-5-10-22(24(27)28)23(15-19)26-32(29,30)21-8-3-16(4-9-21)18-11-13-31-14-12-18/h1-11,15,26H,12-14H2,(H,27,28)

c1cc(ccc1c2ccc(c(c2)NS(=O)(=O)c3ccc(cc3)C4=CCOCC4)C(=O)O)Cl
Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

[Cl-]
Non polymer #4 MES

InChI=1S/C6H13NO4S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h1-6H2,(H,8,9,10)

C1COCC[NH+]1CCS(=O)(=O)[O-]
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