2026-08-29_00000100
|
ligand
|
29LJ
X-ray structure of the adduct formed upon reaction of Lysozyme with [Ru2Cl(D-p-CNPhF)(O2CCH3)3];
X-ray diffraction 1.13Å
Protein #1
129 residues (100% resolved)
Raw Sequence ...
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Canonical Sequence ...
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Non polymer #2
A1IHW
InChI=1S/C15H9N4.2C2H4O2.2H2O.2Ru/c16-9-12-1-5-14(6-2-12)18-11-19-15-7-3-13(10-17)4-8-15;2*1-2(3)4;;;;/h1-8,11H;2*1H3,(H,3,4);2*1H2;;/q-1;;;;;;+3/p-2
InChI=1S/C15H9N4.2C2H4O2.2H2O.2Ru/c16-9-12-1-5-14(6-2-12)18-11-19-15-7-3-13(10-17)4-8-15;2*1-2(3)4;;;;/h1-8,11H;2*1H3,(H,3,4);2*1H2;;/q-1;;;;;;+3/p-2
SMILES: CC1=O[Ru]23([N](=CN([Ru]2(O1)(OC(=O3)C)[OH2])c4ccc(cc4)C#N)c5ccc(cc5)C#N)[OH2]
CC1=O[Ru]23([N](=CN([Ru]2(O1)(OC(=O3)C)[OH2])c4ccc(cc4)C#N)c5ccc(cc5)C#N)[OH2]
Non polymer #3
ACT
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
SMILES: CC(=O)[O-]
CC(=O)[O-]
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
Download coordinates
Tube
Model
Reference
100%