2026-08-29_00000109
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ligand
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29NX
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-TolF)(O2CCH3)3];
X-ray diffraction 1.30Å
Protein #1
129 residues (100% resolved)
Raw Sequence ...
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Canonical Sequence ...
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Non polymer #2
A1J4C
InChI=1S/C15H15N2.3C2H4O2.2Ru/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;3*1-2(3)4;;/h3-11H,1-2H3;3*2H,1H3;;/q-1;3*-2;+3;+4
InChI=1S/C15H15N2.3C2H4O2.2Ru/c1-12-3-7-14(8-4-12)16-11-17-15-9-5-13(2)6-10-15;3*1-2(3)4;;/h3-11H,1-2H3;3*2H,1H3;;/q-1;3*-2;+3;+4
SMILES: Cc1ccc(cc1)[N]2=CN([Ru]345[Ru]2(OC(O3)C)(OC(O4)C)OC(O5)C)c6ccc(cc6)C
Cc1ccc(cc1)[N]2=CN([Ru]345[Ru]2(OC(O3)C)(OC(O4)C)OC(O5)C)c6ccc(cc6)C
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #5
NO3
InChI=1S/NO3/c2-1(3)4/q-1
InChI=1S/NO3/c2-1(3)4/q-1
SMILES: [N+](=O)([O-])[O-]
[N+](=O)([O-])[O-]
Biounit #1
monomer
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