BRENDA - Enzyme Database

Structure and functional characterization of a bile acid 7alpha dehydratase BaiE in secondary bile acid synthesis

Bhowmik, S.; Chiu, H.P.; Jones, D.H.; Chiu, H.J.; Miller, M.D.; Xu, Q.; Farr, C.L.; Ridlon, J.M.; Wells, J.E.; Elsliger, M.A.; Wilson, I.A.; Hylemon, P.B.; Lesley, S.A.; Proteins 84, 316-331 (2016)

Data extracted from this reference:

Crystallization (Commentary)
EC Number
Crystallization
Organism
4.2.1.106
-
Clostridium hiranonis
4.2.1.106
-
Clostridium hylemonae
4.2.1.106
;
Clostridium scindens
Engineering
EC Number
Amino acid exchange
Commentary
Organism
4.2.1.106
D106N
inactive mutant
Clostridium scindens
4.2.1.106
D35N
inactive mutant
Clostridium scindens
4.2.1.106
H83N
inactive mutant
Clostridium scindens
4.2.1.106
R146Q
inactive mutant
Clostridium scindens
4.2.1.106
Y126F
strongly reduced activity compared to wild type
Clostridium scindens
4.2.1.106
Y30F
inactive mutant
Clostridium scindens
4.2.1.106
Y54A
inactive mutant
Clostridium scindens
4.2.1.106
Y54F
reduced activity compared to wild type
Clostridium scindens
KM Value [mM]
EC Number
KM Value [mM]
KM Value Maximum [mM]
Substrate
Commentary
Organism
Structure
4.2.1.106
1.2
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
4
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
4.2.1.106
9.9
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
4.2.1.106
11
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
11.4
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
21
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
25
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
4.2.1.106
208
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
Natural Substrates/ Products (Substrates)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium hiranonis
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium hylemonae
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium scindens
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium hylemonae DSM 15053
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium scindens ATCC 35704
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium scindens VPI 12708
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium hiranonis DSM 13275
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
Organism
EC Number
Organism
Primary Accession No. (UniProt)
Commentary
Textmining
4.2.1.106
Clostridium hiranonis
Q9RB47
-
-
4.2.1.106
Clostridium hiranonis DSM 13275
Q9RB47
-
-
4.2.1.106
Clostridium hylemonae
B4YSU1
-
-
4.2.1.106
Clostridium hylemonae DSM 15053
B4YSU1
-
-
4.2.1.106
Clostridium scindens
B0NI18
-
-
4.2.1.106
Clostridium scindens
P19412
-
-
4.2.1.106
Clostridium scindens ATCC 35704
B0NI18
-
-
4.2.1.106
Clostridium scindens VPI 12708
P19412
-
-
Substrates and Products (Substrate)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium hiranonis
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium hylemonae
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium scindens
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium hylemonae DSM 15053
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium scindens ATCC 35704
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium scindens VPI 12708
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium hiranonis DSM 13275
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium hiranonis
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium hylemonae
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium scindens
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium hylemonae DSM 15053
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium scindens ATCC 35704
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium scindens VPI 12708
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium hiranonis DSM 13275
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
Turnover Number [1/s]
EC Number
Turnover Number Minimum [1/s]
Turnover Number Maximum [1/s]
Substrate
Commentary
Organism
Structure
4.2.1.106
4.4
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
4.2.1.106
12.6
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
15
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
18
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
18.6
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
22.2
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
4.2.1.106
24
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
4.2.1.106
98
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
Crystallization (Commentary) (protein specific)
EC Number
Crystallization
Organism
4.2.1.106
-
Clostridium hiranonis
4.2.1.106
-
Clostridium hylemonae
4.2.1.106
-
Clostridium scindens
Engineering (protein specific)
EC Number
Amino acid exchange
Commentary
Organism
4.2.1.106
D106N
inactive mutant
Clostridium scindens
4.2.1.106
D35N
inactive mutant
Clostridium scindens
4.2.1.106
H83N
inactive mutant
Clostridium scindens
4.2.1.106
R146Q
inactive mutant
Clostridium scindens
4.2.1.106
Y126F
strongly reduced activity compared to wild type
Clostridium scindens
4.2.1.106
Y30F
inactive mutant
Clostridium scindens
4.2.1.106
Y54A
inactive mutant
Clostridium scindens
4.2.1.106
Y54F
reduced activity compared to wild type
Clostridium scindens
KM Value [mM] (protein specific)
EC Number
KM Value [mM]
KM Value Maximum [mM]
Substrate
Commentary
Organism
Structure
4.2.1.106
1.2
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
4
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
4.2.1.106
9.9
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
4.2.1.106
11
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
11.4
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
21
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
25
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
4.2.1.106
208
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
Natural Substrates/ Products (Substrates) (protein specific)
EC Number
Natural Substrates
Organism
Commentary (Nat. Sub.)
Natural Products
Commentary (Nat. Pro.)
Organism (Nat. Pro.)
Reversibility
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium hiranonis
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium hylemonae
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium scindens
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium hylemonae DSM 15053
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium scindens ATCC 35704
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium scindens VPI 12708
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
Clostridium hiranonis DSM 13275
-
3-oxochola-4,6-dien-24-oyl-CoA
-
-
?
Substrates and Products (Substrate) (protein specific)
EC Number
Substrates
Commentary Substrates
Literature (Substrates)
Organism
Products
Commentary (Products)
Literature (Products)
Organism (Products)
Reversibility
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium hiranonis
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium hylemonae
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium scindens
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium hylemonae DSM 15053
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium scindens ATCC 35704
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium scindens VPI 12708
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oate
-
735231
Clostridium hiranonis DSM 13275
3-oxochola-4,6-dien-24-oate
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium hiranonis
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium hylemonae
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium scindens
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium hylemonae DSM 15053
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium scindens ATCC 35704
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium scindens VPI 12708
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
4.2.1.106
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
-
735231
Clostridium hiranonis DSM 13275
3-oxochola-4,6-dien-24-oyl-CoA
-
-
-
?
Turnover Number [1/s] (protein specific)
EC Number
Turnover Number Minimum [1/s]
Turnover Number Maximum [1/s]
Substrate
Commentary
Organism
Structure
4.2.1.106
4.4
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
4.2.1.106
12.6
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
15
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
18
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
18.6
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
22.2
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
4.2.1.106
24
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
4.2.1.106
98
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
KCat/KM [mM/s]
EC Number
kcat/KM Value [1/mMs-1]
kcat/KM Value Maximum [1/mMs-1]
Substrate
Commentary
Organism
Structure
4.2.1.106
0.1
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
4.2.1.106
0.2
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
4.2.1.106
0.9
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
1.1
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
1.6
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
2.4
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
4.2.1.106
12.5
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
24.5
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
KCat/KM [mM/s] (protein specific)
EC Number
KCat/KM Value [1/mMs-1]
KCat/KM Value Maximum [1/mMs-1]
Substrate
Commentary
Organism
Structure
4.2.1.106
0.1
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
4.2.1.106
0.2
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hiranonis
4.2.1.106
0.9
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
1.1
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium hylemonae
4.2.1.106
1.6
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
2.4
-
7alpha-hydroxy-3-oxochol-4-en-24-oate
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens
4.2.1.106
12.5
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl, pH 7.3
Clostridium scindens
4.2.1.106
24.5
-
7alpha-hydroxy-3-oxochol-4-en-24-oyl-CoA
25°C in 20 mM Tris-HCl pH 7.3
Clostridium scindens