2024-11-23_00000317|ligand|9FYW

X-ray structure of the adduct formed upon reaction of RNase A with [Ru2Cl(D-p-CNPhF)(O2CCH3)3]; X-ray diffraction 1.40Å

Protein #1 150 residues (83% resolved)

Raw Sequence ...

MALKSLVLLSLLVLVLLLVRVQPSLGKETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV

Canonical Sequence ...

MALKSLVLLSLLVLVLLLVRVQPSLGKETAAAKFERQHMDSSTSAASSSNYCNQMMKSRNLTKDRCKPVNTFVHESLADVQAVCSQKNVACKNGQTNCYQSYSTMSITDCRETGSSKYPNCAYKTTQANKHIIVACEGNPYVPVHFDASV

Non polymer #2 A1IHW

InChI=1S/C15H10N4.2C2H4O2.2H2O.2Ru/c16-9-12-1-5-14(6-2-12)18-11-19-15-7-3-13(10-17)4-8-15;21-2(3)4;;;;/h1-8H,11H2;22H,1H3;21H2;;/q3-2;;;2*+4/p-2

InChI=1S/C15H10N4.2C2H4O2.2H2O.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;;;;/h1-8H,11H2;2*2H,1H3;2*1H2;;/q3*-2;;;2*+4/p-2

SMILES: CC1O[Ru]23(N(CN([Ru]2(O1)(OC(O3)C)O)c4ccc(cc4)C#N)c5ccc(cc5)C#N)O

CC1O[Ru]23(N(CN([Ru]2(O1)(OC(O3)C)O)c4ccc(cc4)C#N)c5ccc(cc5)C#N)O

Biounit #1 monomer

Biounit #2 monomer

Reference