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Literature summary extracted from

  • Bhowmik, S.; Jones, D.H.; Chiu, H.P.; Park, I.H.; Chiu, H.J.; Axelrod, H.L.; Farr, C.L.; Tien, H.J.; Agarwalla, S.; Lesley, S.A.
    Structural and functional characterization of BaiA, an enzyme involved in secondary bile acid synthesis in human gut microbe (2014), Proteins, 82, 216-229.
    View publication on PubMedView publication on EuropePMC

Cloned(Commentary)

EC Number Cloned (Comment) Organism
1.1.1.395 expressed in Escherichia coli [Clostridium] scindens

Crystallization (Commentary)

EC Number Crystallization (Comment) Organism
1.1.1.395 apoenzyme isoform BaiA2 and in complex with NAD+, sitting nano-drop vapor diffusion method, using 30% (w/v) polyethylene glycol 4000, 0.1M Tris-HCl pH 8.5, and 0.2 M sodium acetate [Clostridium] scindens

Protein Variants

EC Number Protein Variants Comment Organism
1.1.1.395 E42A the mutation improves specificity toward NADP+ by 10fold compared to the wild type enzyme [Clostridium] scindens

KM Value [mM]

EC Number KM Value [mM] KM Value Maximum [mM] Substrate Comment Organism Structure
1.1.1.395 0.0011
-
 3-oxochenodeoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.0013
-
 3-oxolithocholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.0015
-
 3-oxodeoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.0018
-
 3-oxocholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.0033
-
 3-oxochenodeoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.0056
-
 3-oxodeoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.0067
-
 NAD+ wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.0083
-
 3-oxolithocholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.0091
-
 3-oxocholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.015
-
 NADP+ mutant E42A of isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.016
-
 deoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.017
-
 NAD+ mutant E42A of isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.017
-
 NAD+ wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.017
-
 deoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.018
-
 lithocholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.022
-
 lithocholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.023
-
 chenodeoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.032
-
 choloyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.053
-
 chenodeoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.084
-
 NADP+ wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.106
-
 choloyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.201
-
 taurocholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.205
-
 glycocholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.329
-
 taurocholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.334
-
 chenodeoxycholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.383
-
 glycocholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.555
-
 chenodeoxycholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.802
-
 cholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.883
-
 NADP+ wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 1.158
-
 cholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens

Organism

EC Number Organism UniProt Comment Textmining
1.1.1.395 [Clostridium] scindens P19337
-
-
1.1.1.395 [Clostridium] scindens VPI 12708 P19337
-
-

Purification (Commentary)

EC Number Purification (Comment) Organism
1.1.1.395 Ni-NTA column chromatography [Clostridium] scindens

Substrates and Products (Substrate)

EC Number Substrates Comment Substrates Organism Products Comment (Products) Rev. Reac.
1.1.1.395 3-oxochenodeoxycholoyl-CoA + NAD+
-
 [Clostridium] scindens ? + NADH + H+
-
 ?
1.1.1.395 3-oxochenodeoxycholoyl-CoA + NAD+
-
 [Clostridium] scindens VPI 12708 ? + NADH + H+
-
 ?
1.1.1.395 3-oxocholoyl CoA + NAD+
-
 [Clostridium] scindens ? + NADH + H+
-
 ?
1.1.1.395 3-oxocholoyl CoA + NAD+
-
 [Clostridium] scindens VPI 12708 ? + NADH + H+
-
 ?
1.1.1.395 3-oxodeoxycholoyl-CoA + NAD+
-
 [Clostridium] scindens ? + NADH + H+
-
 ?
1.1.1.395 3-oxodeoxycholoyl-CoA + NAD+
-
 [Clostridium] scindens VPI 12708 ? + NADH + H+
-
 ?
1.1.1.395 3-oxolithocholoyl-CoA + NAD+
-
 [Clostridium] scindens ? + NADH + H+
-
 ?
1.1.1.395 3-oxolithocholoyl-CoA + NAD+
-
 [Clostridium] scindens VPI 12708 ? + NADH + H+
-
 ?
1.1.1.395 chenodeoxycholic acid + NAD+
-
 [Clostridium] scindens 7-alpha-hydroxy-3-oxo-5beta-cholanate + NADH + H+
-
 ?
1.1.1.395 chenodeoxycholic acid + NAD+
-
 [Clostridium] scindens VPI 12708 7-alpha-hydroxy-3-oxo-5beta-cholanate + NADH + H+
-
 ?
1.1.1.395 chenodeoxycholoyl-CoA + NADP+
-
 [Clostridium] scindens 3-oxochenodeoxycholoyl-CoA + NADPH + H+
-
 ?
1.1.1.395 chenodeoxycholyl CoA + NAD+
-
 [Clostridium] scindens 3-oxo-chenodeoxycholy-CoA + NADH + H+
-
 ?
1.1.1.395 cholic acid + NAD+
-
 [Clostridium] scindens 3-oxocholic acid + NADH + H+
-
 ?
1.1.1.395 choloyl-CoA + NAD+
-
 [Clostridium] scindens 3-oxocholoyl-CoA + NADH + H+
-
 ?
1.1.1.395 deoxycholoyl-CoA + NAD+
-
 [Clostridium] scindens 3-oxodeoxycholoyl-CoA + NADH + H+
-
 ?
1.1.1.395 glycocholic acid + NAD+
-
 [Clostridium] scindens N-[7alpha,12-alpha-3,24-dioxo-5beta-cholan-24-yl]glycine + NADH + H+
-
 ?
1.1.1.395 lithocholoyl-CoA + NAD+
-
 [Clostridium] scindens 3-oxolithocholoyl-CoA + NADH + H+
-
 ?
1.1.1.395 taurocholic acid + NAD+
-
 [Clostridium] scindens 3-oxotaurocholic acid + NADH + H+
-
 ?

Synonyms

EC Number Synonyms Comment Organism
1.1.1.395 3alpha-hydroxy bile acid-CoA-ester 3-dehydrogenase
-
 [Clostridium] scindens
1.1.1.395 baiA1 isoform [Clostridium] scindens
1.1.1.395 baiA2 isoform [Clostridium] scindens

Turnover Number [1/s]

EC Number Turnover Number Minimum [1/s] Turnover Number Maximum [1/s] Substrate Comment Organism Structure
1.1.1.395 0.025
-
 NADP+ wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.05
-
 NADP+ mutantE42A of isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.055
-
 chenodeoxycholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.089
-
 NAD+ wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.09
-
 cholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.11
-
 NADP+ wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.12
-
 3-oxolithocholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.14
-
 3-oxocholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.145
-
 glycocholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.15
-
 taurocholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.15
-
 3-oxodeoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.16
-
 deoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.17
-
 choloyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.17
-
 3-oxochenodeoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.18
-
 lithocholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.2
-
 chenodeoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.25
-
 chenodeoxycholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.27
-
 cholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.3
-
 NAD+ wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.32
-
 NAD+ mutant E42A of isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.4
-
 taurocholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.4
-
 3-oxochenodeoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.42
-
 glycocholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.55
-
 3-oxocholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.7
-
 3-oxolithocholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.73
-
 lithocholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.73
-
 3-oxodeoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.82
-
 chenodeoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.87
-
 deoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 1.23
-
 choloyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens

Cofactor

EC Number Cofactor Comment Organism Structure
1.1.1.395 NAD+ preferred cofactor [Clostridium] scindens

kcat/KM [mM/s]

EC Number kcat/KM Value [1/mMs-1] kcat/KM Value Maximum [1/mMs-1] Substrate Comment Organism Structure
1.1.1.395 0.12
-
 cholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.13
-
 NADP+ wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.17
-
 chenodeoxycholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.23
-
 cholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.3
-
 NADP+ wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.45
-
 chenodeoxycholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.72
-
 glycocholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 0.73
-
 taurocholic acid wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 1
-
 taurocholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 1
-
 glycocholic acid wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 3.3
-
 NADP+ mutantE42A of isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 5.22
-
 choloyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 8.7
-
 chenodeoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 9.32
-
 deoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 10.18
-
 lithocholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 11.6
-
 choloyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 13.17
-
 NAD+ wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 15.4
-
 chenodeoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 17.7
-
 NAD+ wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 18.5
-
 NAD+ mutant E42A of isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 33.3
-
 lithocholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 54.2
-
 deoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 60.4
-
 3-oxocholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 76.85
-
 3-oxocholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 84.3
-
 3-oxolithocholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 93.58
-
 3-oxolithocholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 101.7
-
 3-oxodeoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 120.5
-
 3-oxochenodeoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 131
-
 3-oxodeoxycholoyl-CoA wild type enzyme isoform BaiA1, at pH 8.7 and 37°C [Clostridium] scindens
1.1.1.395 151.5
-
 3-oxochenodeoxycholoyl-CoA wild type enzyme isoform BaiA2, at pH 8.7 and 37°C [Clostridium] scindens