2026-08-29_00000104|ligand|29MR

X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2(D-p-FPhF)(O2CCH3)2(O2CO)]; X-ray diffraction 1.42Å

Protein #1 129 residues (100% resolved)

Raw Sequence ...

KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Canonical Sequence ...

KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Non polymer #2 A1IQW

InChI=1S/C13H9F2N2.2C2H4O2.CH2O3.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;21-2(3)4;2-1(3)4;;/h1-9H;21H3,(H,3,4);(H2,2,3,4);;/q-1;;;;+1;+4/p-4

InChI=1S/C13H9F2N2.2C2H4O2.CH2O3.2Ru/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13;2*1-2(3)4;2-1(3)4;;/h1-9H;2*1H3,(H,3,4);(H2,2,3,4);;/q-1;;;;+1;+4/p-4

SMILES: CC1=O[Ru+2]234N(C=[N-]([Ru+2]2([O-]1)([O-]C(=O)O3)O=C([O-]4)C)c5ccc(cc5)F)c6ccc(cc6)F

CC1=O[Ru+2]234N(C=[N-]([Ru+2]2([O-]1)([O-]C(=O)O3)O=C([O-]4)C)c5ccc(cc5)F)c6ccc(cc6)F

Non polymer #3 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Non polymer #4 NO3

InChI=1S/NO3/c2-1(3)4/q-1

SMILES: [N+](=O)([O-])[O-]

[N+](=O)([O-])[O-]

Biounit #1 monomer

Reference