2025-09-27_00000261|ligand|9RZR

Hen Egg-White Lysozyme (HEWL) complexed with a Lindqvist-type hexavanadate (V6-Hex) polyoxometalate; X-ray diffraction 1.27Å

Protein #1 129 residues (100% resolved)

Raw Sequence ...

KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Canonical Sequence ...

KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL

Non polymer #2 A1JKF

InChI=1S/2C12H19N4O4.13O.6V/c21-2-3-4-10-5-16(15-14-10)6-11(20)13-12(7-17,8-18)9-19;;;;;;;;;;;;;;;;;;;/h25H,2-4,6-9H2,1H3,(H,13,20);;;;;;;;;;;;;;;;;;;/q2*+3;;;;;;;;;;;;;+2;;;;;;

InChI=1S/2C12H19N4O4.13O.6V/c2*1-2-3-4-10-5-16(15-14-10)6-11(20)13-12(7-17,8-18)9-19;;;;;;;;;;;;;;;;;;;/h2*5H,2-4,6-9H2,1H3,(H,13,20);;;;;;;;;;;;;;;;;;;/q2*+3;;;;;;;;;;;;;+2;;;;;;

SMILES: CCCCc1cn(nn1)CC(=O)NC23C[O+]4[V]567(=O)O[V]891(=O)[O+2]55%10%11[V]44(=O)(O8)O[V]558(=O)[O+]9CC9(C[O+]1[V]%10(=O)(O6)([O+]5C9)O[V]%11(=O)(O8)([O+]7C2)[O+]4C3)NC(=O)Cn1cc(nn1)CCCC

CCCCc1cn(nn1)CC(=O)NC23C[O+]4[V]567(=O)O[V]891(=O)[O+2]55%10%11[V]44(=O)(O8)O[V]558(=O)[O+]9CC9(C[O+]1[V]%10(=O)(O6)([O+]5C9)O[V]%11(=O)(O8)([O+]7C2)[O+]4C3)NC(=O)Cn1cc(nn1)CCCC

Non polymer #3 MLI

InChI=1S/C3H4O4/c4-2(5)1-3(6)7/h1H2,(H,4,5)(H,6,7)/p-2

SMILES: C(C(=O)[O-])C(=O)[O-]

C(C(=O)[O-])C(=O)[O-]

Non polymer #4 NA

InChI=1S/Na/q+1

SMILES: [Na+]

[Na+]

Biounit #1 monomer

Reference