2025-02-08_00000043
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ligand
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8RTK
X-ray structure of lysozyme obtained upon reaction with [VIVO(8-HQ)2] in sodium formate;
X-ray diffraction 1.21Å
Protein #1
129 residues (100% resolved)
Raw Sequence ...
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Canonical Sequence ...
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Non polymer #2
A1H23
InChI=1S/2C9H7NO.2O.V/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h2*1-6,11H;;;/q;;;;+2/p-2
InChI=1S/2C9H7NO.2O.V/c2*11-8-5-1-3-7-4-2-6-10-9(7)8;;;/h2*1-6,11H;;;/q;;;;+2/p-2
SMILES: C1=CC2=CC=CN=3=C2C(=C1)O[V]34(=N5=C6C(=CC=C5)C=CC=C6O4)(=O)=O
C1=CC2=CC=CN=3=C2C(=C1)O[V]34(=N5=C6C(=CC=C5)C=CC=C6O4)(=O)=O
Non polymer #3
EPE
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
InChI=1S/C8H18N2O4S/c11-7-5-9-1-3-10(4-2-9)6-8-15(12,13)14/h11H,1-8H2,(H,12,13,14)
SMILES: C1CN(CCN1CCO)CCS(=O)(=O)O
C1CN(CCN1CCO)CCS(=O)(=O)O
Non polymer #4
VVB
InChI=1S/2H2O.V/h2*1H2;/q;;+2/p-2
InChI=1S/2H2O.V/h2*1H2;/q;;+2/p-2
SMILES: O[V]O
O[V]O
Non polymer #5
VVO
InChI=1S/O.V/q;+2
InChI=1S/O.V/q;+2
SMILES: O=[V+2]
O=[V+2]
Biounit #1
monomer
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Model
Reference
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