2024-04-27_00000116
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ligand
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8QCU
Lysozyme covalently bound to fac-[Re(CO)3-imidazole] complex, incubated for 38 weeks.;
X-ray diffraction 1.15Å
Protein #1
129 residues (100% resolved)
Raw Sequence ...
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Canonical Sequence ...
KVFGRCELAAAMKRHGLDNYRGYSLGNWVCAAKFESNFNTQATNRNTDGSTDYGILQINSRWWCNDGRTPGSRNLCNIPCSALLSSDITASVNCAKKIVSDGNGMNAWVAWRNRCKGTDVQAWIRGCRL
Non polymer #2
BR
InChI=1S/BrH/h1H/p-1
InChI=1S/BrH/h1H/p-1
SMILES: [Br-]
[Br-]
Non polymer #3
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #4
IMD
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
InChI=1S/C3H4N2/c1-2-5-3-4-1/h1-3H,(H,4,5)/p+1
SMILES: c1c[nH+]c[nH]1
c1c[nH+]c[nH]1
Non polymer #5
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Non polymer #6
RE
InChI=1S/Re
InChI=1S/Re
SMILES: [Re]
[Re]
Non polymer #7
REI
InChI=1S/C3H4N2.3CO.H2O.Re/c1-2-5-3-4-1;3*1-2;;/h1-3H,(H,4,5);;;;1H2;/q;;;;;+1
InChI=1S/C3H4N2.3CO.H2O.Re/c1-2-5-3-4-1;3*1-2;;/h1-3H,(H,4,5);;;;1H2;/q;;;;;+1
SMILES: C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2]
C1=C[N](=CN1)[Re+](C#O)(C#O)(C#O)[OH2]
Non polymer #8
VHL
InChI=1S/2C3H3N2.3CO.Re/c2*1-2-5-3-4-1;3*1-2;/h2*1-3H;;;;/q2*-1;;;;+3
InChI=1S/2C3H3N2.3CO.Re/c2*1-2-5-3-4-1;3*1-2;/h2*1-3H;;;;/q2*-1;;;;+3
SMILES: c1cn(cn1)[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])n2ccnc2
c1cn(cn1)[Re+]([C-]#[O+])([C-]#[O+])([C-]#[O+])n2ccnc2
Biounit #1
monomer
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