2026-02-14_00000141|ligand|22TN

Phosphoglycerate mutase 1 complexed with a novel scaffold inhibitor; X-ray diffraction 2.03Å
Protein #1 262 residues (92% resolved)

MAAYKLVLIRHGESAWNLENRFSGWYDADLSPAGHEEAKRGGQALRDAGYEFDICFTSVQKRAIRTLWTVLDAIDQMWLPVVRTWRLNERHYGGLTGLNKAETAAKHGEAQVKIWRRSYDVPPPPMEPDHPFYSNISKDRRYADLTEDQLPSCESLKDTIARALPFWNEEIVPQIKEGKRVLIAAHGNSLRGIVKHLEGLSEEAIMELNLPTGIPIVYELDKNLKPIKPMQFLGDEETVRKAMEAVAAQGKAKKLEHHHHHH

MAAYKLVLIRHGESAWNLENRFSGWYDADLSPAGHEEAKRGGQALRDAGYEFDICFTSVQKRAIRTLWTVLDAIDQMWLPVVRTWRLNERHYGGLTGLNKAETAAKHGEAQVKIWRRSYDVPPPPMEPDHPFYSNISKDRRYADLTEDQLPSCESLKDTIARALPFWNEEIVPQIKEGKRVLIAAHGNSLRGIVKHLEGLSEEAIMELNLPTGIPIVYELDKNLKPIKPMQFLGDEETVRKAMEAVAAQGKAKKLEHHHHHH
Non polymer #2 A1E4Q

InChI=1S/C25H18ClN5O2S/c26-21-11-6-19(7-12-21)20-10-15-23(25-27-30-31-28-25)24(16-20)29-34(32,33)22-13-8-18(9-14-22)17-4-2-1-3-5-17/h1-16,29H,(H,27,28,30,31)

c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(ccc3c4[nH]nnn4)c5ccc(cc5)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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Reference