2026-03-21_00000198
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ligand
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9TAQ
De novo photoenzyme variant ABLE-E116C-TXT H49A-L42T (photoABLE1 precursor) in complex with substrate;
X-ray diffraction 1.40Å
Protein #1
126 residues (100% resolved)
Raw Sequence ...
SVKSEYAEAAAVGQEAVAVFNTMKAAFQNGDKEAVAQYLARTASLYTRAEELLNRILEKARREGNKEAVTLMNEFTATFQTGKSIFNAMVAAFKNGDDDSFESYLQALEKVTAKGCTLADQIAKAL
Canonical Sequence ...
SVKSEYAEAAAVGQEAVAVFNTMKAAFQNGDKEAVAQYLARTASLYTRAEELLNRILEKARREGNKEAVTLMNEFTATFQTGKSIFNAMVAAFKNGDDDSFESYLQALEKVTAKGCTLADQIAKAL
Non polymer #2
A1JUV
InChI=1S/C13H13NO2/c1-2-3-8-16-12-9-10-6-4-5-7-11(10)14-13(12)15/h2,4-7,9H,1,3,8H2,(H,14,15)
InChI=1S/C13H13NO2/c1-2-3-8-16-12-9-10-6-4-5-7-11(10)14-13(12)15/h2,4-7,9H,1,3,8H2,(H,14,15)
SMILES: C=CCCOC1=Cc2ccccc2NC1=O
C=CCCOC1=Cc2ccccc2NC1=O
Non polymer #3
A1JUW
InChI=1S/C17H11NO3S/c19-15-7-8-16(20)18(15)10-5-6-14-12(9-10)17(21)11-3-1-2-4-13(11)22-14/h1-6,9H,7-8H2
InChI=1S/C17H11NO3S/c19-15-7-8-16(20)18(15)10-5-6-14-12(9-10)17(21)11-3-1-2-4-13(11)22-14/h1-6,9H,7-8H2
SMILES: c1ccc2c(c1)C(=O)c3cc(ccc3S2)N4C(=O)CCC4=O
c1ccc2c(c1)C(=O)c3cc(ccc3S2)N4C(=O)CCC4=O
Non polymer #4
NA
InChI=1S/Na/q+1
InChI=1S/Na/q+1
SMILES: [Na+]
[Na+]
Biounit #1
monomer
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Biounit #2
monomer
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Biounit #3
monomer
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Biounit #4
monomer
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