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Literature summary for 3.8.1.5 extracted from

  • Oakley, A.J.; Klvana, M.; Otyepka, M.; Nagata, Y.; Wilce, M.C.J.; Damborsky, J.
    Crystal structure of haloalkane dehalogenase LinB from Sphingomonas paucimobilis UT26 at 0.95 A resolution: dynamics of catalytic residues (2004), Biochemistry, 43, 870-878.
    View publication on PubMed

Crystallization (Commentary)

Crystallization (Comment) Organism
12 mg/ml purified recombinant His-tagged enzyme, effective crystallization conditions are not same as for the nontagged enzyme, hanging drop vapour diffusion method, 200 mM MgCl2, 100 mM Tris-HCl, pH 8.5, 20% w/v PEG 4000, equal volumes of 0.001 ml of protein and well solution are mixed on siliconized cover slips, 3 days, crystals are used for seeding, another 3 days, X-ray diffraction structure determination and analysis at 0.95 A resolution, molecular dynamics simulation Sphingomonas paucimobilis
side-chain of catalytic nucleophile N108 displays a high degree of disorder Sphingomonas paucimobilis

Molecular Weight [Da]

Molecular Weight [Da] Molecular Weight Maximum [Da] Comment Organism
33000
-
x * 33000 Sphingomonas paucimobilis

Organism

Organism UniProt Comment Textmining
Sphingomonas paucimobilis
-
-
-
Sphingomonas paucimobilis
-
enzyme LinB
-
Sphingomonas paucimobilis UT26
-
-
-
Sphingomonas paucimobilis UT26
-
enzyme LinB
-

Reaction

Reaction Comment Organism Reaction ID
1-haloalkane + H2O = a primary alcohol + halide catalytic nucleophile Asp108, which is the most disordered catalytic residue, catalytic base His272, structure-based reaction mechanism, active site structure, overview Sphingomonas paucimobilis
1-haloalkane + H2O = a primary alcohol + halide H272 singly protonated at Ndelta1 and D108 in conformation A give the most exothermic reactionwith DeltaH of -22 kcal/mol Sphingomonas paucimobilis

Substrates and Products (Substrate)

Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1-chloro-2,2-dimethylpropane + H2O
-
Sphingomonas paucimobilis 2,2-dimethylpropan-1-ol + chloride
-
?
1-chloro-2,2-dimethylpropane + H2O
-
Sphingomonas paucimobilis UT26 2,2-dimethylpropan-1-ol + chloride
-
?

Subunits

Subunits Comment Organism
? x * 33000 Sphingomonas paucimobilis
More 2 enzyme conformations A and B Sphingomonas paucimobilis

Synonyms

Synonyms Comment Organism
LinB
-
Sphingomonas paucimobilis