2025-04-12_00000213|ligand|9FMY

X-ray structure of the adduct of bis(maltolato)oxidovanadium(IV) with lysozyme upon the breakage of the maltolate ring; X-ray diffraction 1.09Å

Protein #1 128 residues (100% resolved)

Raw Sequence ...

VFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Canonical Sequence ...

VFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Non polymer #2 A1IE3

InChI=1S/C10H16N2O4.C4H5O4.4H2O.2O.2V/c11-8(7-13)3-1-2-5-12-6-4-9(14)10(15)16;5-2-1-3(6)4(7)8;;;;;;;;/h4,6-8,14H,1-3,5,11H2,(H,15,16);1-3,5H,(H,7,8);4*1H2;;;;/q;-1;;;;;;;-1;+4/p-6/b9-4-,12-6-;2-1+;;;;;;;;/t8-;3-;;;;;;;;/m01......../s1

InChI=1S/C10H16N2O4.C4H5O4.4H2O.2O.2V/c11-8(7-13)3-1-2-5-12-6-4-9(14)10(15)16;5-2-1-3(6)4(7)8;;;;;;;;/h4,6-8,14H,1-3,5,11H2,(H,15,16);1-3,5H,(H,7,8);4*1H2;;;;/q;-1;;;;;;;-1;+4/p-6/b9-4-,12-6-;2-1+;;;;;;;;/t8-;3-;;;;;;;;/m01......../s1

SMILES: C(CC/N=CC=C/1C(=[O-2][V]2(=O)(O1)([O-2]=C(C(O2)/C=C/O)O)[O])O[V](=O)([O])([O])[O])C[C@@H](C=O)N

C(CC/N=CC=C/1C(=[O-2][V]2(=O)(O1)([O-2]=C(C(O2)/C=C/O)O)[O])O[V](=O)([O])([O])[O])C[C@@H](C=O)N

Non polymer #3 A1IE4

InChI=1S/5H2O.O.V/h5*1H2;;/q;;;;;;+5/p-5

SMILES: O[V](=O)(O)(O)(O)O

O[V](=O)(O)(O)(O)O

Non polymer #4 CL

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

SMILES: [Cl-]

[Cl-]

Non polymer #5 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Non polymer #6 VVB

InChI=1S/2H2O.V/h2*1H2;/q;;+2/p-2

SMILES: O[V]O

O[V]O

Biounit #1 monomer

Reference