2026-04-25_00000303
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ligand
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9XS9
Crystal structure of a cupin protein (tm1459, R39K/H52A/H54A/H92A/C106E mutant) in ruthenium(p-cymene) bound form;
X-ray diffraction 1.09Å
Protein #1
118 residues (100% resolved)
Raw Sequence ...
GPSGMILKRAYDVTPQKISTDKVRGVRKRVLIGLKDAPNFVMKLFTVEPGGLIDRASAPWEHEIFVLKGKLTVLKEQGEETVEEGFYIFVEPNEIAGFRNDTDSEVEFLELIPKEGGE
Canonical Sequence ...
GPSGMILKRAYDVTPQKISTDKVRGVRKRVLIGLKDAPNFVMKLFTVEPGGLIDRASAPWEHEIFVLKGKLTVLKEQGEETVEEGFYIFVEPNEIAGFRNDTDSEVEFLELIPKEGGE
Non polymer #2
MML
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
InChI=1S/C10H14/c1-8(2)10-6-4-9(3)5-7-10/h4-8H,1-3H3
SMILES: Cc1ccc(cc1)C(C)C
Cc1ccc(cc1)C(C)C
Non polymer #3
RU
InChI=1S/Ru/q+3
InChI=1S/Ru/q+3
SMILES: [Ru+3]
[Ru+3]
Biounit #1
homo-dimer
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Model
Reference
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