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Literature summary for 1.1.1.395 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)

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

Crystallization (Commentary)

Crystallization (Comment) Organism
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

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

KM Value [mM]

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

Organism

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

Purification (Commentary)

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

Substrates and Products (Substrate)

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

Synonyms

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

Turnover Number [1/s]

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

Cofactor

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

kcat/KM [mM/s]

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