2025-11-15_00000200|medium|9OER

HalA with lysine, Fe(II), chloride, and a peroxyhemiketal intermediate; X-ray diffraction 1.72Å
Protein #1 258 residues (98% resolved)

MNVEQIDENLAKFLAERYTPESVAQLADRFHRFGFVKFDAANRLVPDELQTAVREECDLLIEQHKERRNLLLSTTGNTPRRMSVVKSEEIEKSELISTLSRSEVLLGFLAGITREEIIPEVSSDERYLITHQEFKSDTHGWHWGDYSFALIWALRMPPIEHGGMLQAVPHTHWDKSNPRINQTLCEREINTHGLESGDLYLLRTDTTLHRTVPLSEDSTRTILNMTWAAKRDLEKDLVGNDRWWENPEAEAARAVDNA

MNVEQIDENLAKFLAERYTPESVAQLADRFHRFGFVKFDAANRLVPDELQTAVREECDLLIEQHKERRNLLLSTTGNTPRRMSVVKSEEIEKSELISTLSRSEVLLGFLAGITREEIIPEVSSDERYLITHQEFKSDTHGWHWGDYSFALIWALRMPPIEHGGMLQAVPHTHWDKSNPRINQTLCEREINTHGLESGDLYLLRTDTTLHRTVPLSEDSTRTILNMTWAAKRDLEKDLVGNDRWWENPEAEAARAVDNA
Non polymer #2 A1CA1

InChI=1S/C5H8O7/c6-3(7)1-2-5(10,12-11)4(8)9/h10-11H,1-2H2,(H,6,7)(H,8,9)/t5-/m0/s1

C(C[C@](C(=O)O)(O)OO)C(=O)O
Non polymer #3 AKG

InChI=1S/C5H6O5/c6-3(5(9)10)1-2-4(7)8/h1-2H2,(H,7,8)(H,9,10)

C(CC(=O)O)C(=O)C(=O)O
Non polymer #4 CL

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

[Cl-]
Non polymer #5 FE2

InChI=1S/Fe/q+2

[Fe+2]
Non polymer #6 LYS

InChI=1S/C6H14N2O2/c7-4-2-1-3-5(8)6(9)10/h5H,1-4,7-8H2,(H,9,10)/p+1/t5-/m0/s1

C(CC[NH3+])C[C@@H](C(=O)O)N
Non polymer #7 SIN

InChI=1S/C4H6O4/c5-3(6)1-2-4(7)8/h1-2H2,(H,5,6)(H,7,8)

C(CC(=O)O)C(=O)O
Non polymer #8 YL0

InChI=1S/C6H13ClN2O2/c7-4(1-2-8)3-5(9)6(10)11/h4-5H,1-3,8-9H2,(H,10,11)/t4-,5+/m1/s1

C(CN)[C@H](C[C@@H](C(=O)O)N)Cl
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Reference