2024-01-13_00000171
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ligand
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8OE2
Structure of hyperstable haloalkane dehalogenase variant DhaA223;
X-ray diffraction 1.51Å
Protein #1
299 residues (98% resolved)
Raw Sequence ...
MSEIGTGFPFDPHYVEVLGSRMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYRFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIAFMEFIRPIPTWDEWPEFARELFQAFRTPDVGRELIIDYNAFIEIILPKFVVRPLTEEEMDHYREPFLKPEWREPLWRFPNELPINGEPADIWALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNLKTVFIGPGLHYLQEDNPDLIGSEIARWLPALHHHHHH
Canonical Sequence ...
MSEIGTGFPFDPHYVEVLGSRMHYVDVGPRDGTPVLFLHGNPTSSYLWRNIIPHVAPSHRCIAPDLIGMGKSDKPDLDYRFDDHVRYLDAFIEALGLEEVVLVIHDWGSALGFHWAKRNPERVKGIAFMEFIRPIPTWDEWPEFARELFQAFRTPDVGRELIIDYNAFIEIILPKFVVRPLTEEEMDHYREPFLKPEWREPLWRFPNELPINGEPADIWALVEAYMNWLHQSPVPKLLFWGTPGVLIPPAEAARLAESLPNLKTVFIGPGLHYLQEDNPDLIGSEIARWLPALHHHHHH
Non polymer #2
CL
InChI=1S/ClH/h1H/p-1
InChI=1S/ClH/h1H/p-1
SMILES: [Cl-]
[Cl-]
Non polymer #3
PG4
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2
SMILES: C(COCCOCCOCCO)O
C(COCCOCCOCCO)O
Non polymer #4
TRS
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
InChI=1S/C4H11NO3/c5-4(1-6,2-7)3-8/h6-8H,1-3,5H2/p+1
SMILES: C(C(CO)(CO)[NH3+])O
C(C(CO)(CO)[NH3+])O
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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Biounit #5
monomer
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Biounit #6
monomer
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