SitesBLAST

O18404 3-hydroxyacyl-CoA dehydrogenase type-2; 17-beta-hydroxysteroid dehydrogenase 10; 17-beta-HSD 10; 3-hydroxyacyl-CoA dehydrogenase type II; Hydroxysteroid dehydrogenase; Mitochondrial ribonuclease P protein 2; Mitochondrial RNase P protein 2; Scully protein; Type II HADH; EC 1.1.1.35; EC 1.1.1.51; EC 1.1.1.62; EC 1.1.1.-; EC 1.1.1.53 from Drosophila melanogaster (Fruit fly) (see 3 papers)
50% identity, 98% coverage: 6:258/259 of query aligns to 2:255/255 of O18404

query
sites
O18404

L

I

Q

K

G

N

S

A

S

V

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S

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L

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V

T

T

G

G

A

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E

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A

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R

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A

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K

A

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G

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x
L

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A

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D

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L

N

P

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E

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C

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G

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-

K

-

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F

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P

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A

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A

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D

N

R

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N

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-

K

N

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P

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R

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F

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N

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N

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V

N

N

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S

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P

L33 (≠ I37) mutation to Q: Lethal allele.
F120 (= F120) mutation to I: Lethal allele.
Q159 (= Q160) mutation Missing: Pupal lethal; pupation is developmentally delayed and pupae fail to enclose into adults. Larvae also display reduced levels of ATP, abnormal neuroblast mitochondrial morphology, and the accumulation of unprocessed mitochondrial tRNAs transcripts for tRNA(Ile), tRNA(Gly), tRNA(Val) and tRNA(Leu) (CUN).
S163 (= S164) mutation to F: Pupal lethal; pupation is developmentally delayed and pupae fail to enclose into adults. Larvae also display reduced levels of ATP, abnormal neuroblast mitochondrial morphology, and the accumulation of unprocessed mitochondrial tRNAs transcripts for tRNA(Ile), tRNA(Gly), tRNA(Val) and tRNA(Leu) (CUN).

3ppiA Crystal structure of 3-hydroxyacyl-coa dehydrogenase type-2 from mycobacterium avium (see paper)
49% identity, 98% coverage: 5:259/259 of query aligns to 4:258/258 of 3ppiA

query
sites
3ppiA

N

Q

L

F

Q

E

G

G

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A

S

S

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A

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I

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V

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G

G

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x
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G

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L

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G

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x
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x
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-

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-

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K

active site: G18 (= G19), S151 (= S150), Y164 (= Y163), K168 (= K167), K198 (≠ D197)
binding magnesium ion: G14 (= G15), G17 (≠ S18), A48 (= A49), G52 (≠ C53), A55 (vs. gap)

6ujkA Crystal structure of a probable short-chain type dehydrogenase/reductase (rv1144) from mycobacterium tuberculosis with bound NAD
50% identity, 96% coverage: 11:259/259 of query aligns to 9:246/246 of 6ujkA

query
sites
6ujkA

S

A

I

V

V

V

T

T

G
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G

G

G

A

A

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S

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G

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x
L

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L

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N

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K

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A

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Q

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K

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x
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T

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P

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x
L

Y

L

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-

G

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H

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A

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binding nicotinamide-adenine-dinucleotide: G13 (= G15), S16 (= S18), G17 (= G19), L18 (≠ I20), D37 (= D39), L38 (= L40), D57 (= D60), V58 (= V61), C83 (≠ S86), A84 (= A87), T142 (≠ L148), S144 (= S150), Y157 (= Y163), K161 (= K167), G188 (= G194), F190 (≠ I196), T192 (= T198), L194 (≠ I200)

1uayA Crystal structure of type ii 3-hydroxyacyl-coa dehydrogenase from thermus thermophilus hb8
51% identity, 97% coverage: 10:259/259 of query aligns to 3:241/241 of 1uayA

query
sites
1uayA

S

S

S

A

I

L

V

V

T

T

G
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G

G

G

A

A

S
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S

G
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G

I

L

G

G

E

R

A

A

T

A

A

A

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Q

A

L

L

A

K

E

A

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R

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G

S

Y

K

R

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V

I

V

A

L

D
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D

L
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L

N

R

E

R

E

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K

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G

-

K

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Q

-

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-

A

G

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E

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D

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-

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D

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A

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N

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S

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A
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A

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G

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G

L

L

P

A

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T

I

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N

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F

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R

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E

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V

N

N

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L

I

L

G

G

T

T

F

F

N

N

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V

L

L

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R

L

A

A

A

W

A

A

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M

A

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E

N

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P

D

D

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A

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E

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G

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G

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I

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A

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S
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S

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V

A

A

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F

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G

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Q

I

I

G

G

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A

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S

A

Y
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Y

S

A

A

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K
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K

G

G

V

V

G

A

M

L

T

T

L

L

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P

I

A

A

A

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R

D

E

L

L

S

A

S

G

A

W

G

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I

I

R

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N

V

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T

V

V

A

A

P

P

G

G

L

L

I

F

D

D

T

T

P

P

I

L

Y

L

-

Q

G

G

E

L

G

P

E

E

H

K

A

A

E

-

A

-

F

-

K

K

A

A

K

S

L

L

G

A

A

A

S

Q

V

V

L

P

F

F

P

P

K

P

R

R

L

L

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G

P

E

E

L

Y

A

A

F

A

T

L

V

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M

L

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H

C

I

I

L

T

E

N

N

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P

Y

M

M

L

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N

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D

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G

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A

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R

active site: G12 (= G19), S134 (= S150), Y147 (= Y163), K151 (= K167)
binding adenosine: G8 (= G15), S11 (= S18), D32 (= D39), L33 (= L40), D46 (= D60), V47 (= V61), A73 (= A87), G74 (= G88)

O70351 3-hydroxyacyl-CoA dehydrogenase type-2; 17-beta-estradiol 17-dehydrogenase; 2-methyl-3-hydroxybutyryl-CoA dehydrogenase; MHBD; 3-alpha-(17-beta)-hydroxysteroid dehydrogenase (NAD(+)); 3-hydroxy-2-methylbutyryl-CoA dehydrogenase; 3-hydroxyacyl-CoA dehydrogenase type II; 3alpha(or 20beta)-hydroxysteroid dehydrogenase; 7-alpha-hydroxysteroid dehydrogenase; Endoplasmic reticulum-associated amyloid beta-peptide-binding protein; Mitochondrial ribonuclease P protein 2; Mitochondrial RNase P protein 2; Short chain dehydrogenase/reductase family 5C member 1; Short-chain type dehydrogenase/reductase XH98G2; Type II HADH; EC 1.1.1.35; EC 1.1.1.62; EC 1.1.1.239; EC 1.1.1.178; EC 1.1.1.53; EC 1.1.1.159 from Rattus norvegicus (Rat) (see paper)
45% identity, 98% coverage: 5:258/259 of query aligns to 7:261/261 of O70351

query
sites
O70351

N

S

L

V

Q

K

G

G

S

L

S

V

S

A

I

V

V

I

T

T

G

G

A

A

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S

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G

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L

A

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T

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A

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Q

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L

A

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A

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G

G

S

A

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T

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A

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V

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L

A

L

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D

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V

N

P

E

N

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S

K

E

G

G

K

E

Q

T

V

E

A

A

E

K

I

L

C

G

G

G

-

N

-

C

V

I

F

F

V

A

K

P

C

A

D

N

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V

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T

K

S

T

E

E

K

D

E

A

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D

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A

A

I

L

A

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A

L

A

A

C

K

E

E

-

K

L

F

G

G

P

R

L

I

R

D

A

V

C

A

V

V

N

N

S

C

A

A

G

G

L

I

G

A

L

V

P

A

A

I

R

K

T

T

I

Y

-

H

D

E

R

K

N

K

N

N

D

Q

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M

H

D

T

L

L

K

E

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D

F

F

E

Q

F

R

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V

I

I

Q

N

V

V

N

N

L

L

I

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G

G

T

T

F

F

N

N

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V

L

I

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R

R

L

A

V

A

A

A

G

A

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M

A

G

K

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T

N

E

E

P

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M

-

D

D

A

Q

D

G

G

G

A

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R

R

G

G

A

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I

I

V

I

N

N

L

T

A

A

S
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S

C

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A

A

F

F

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G

G

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Q

I

V

G

G

Q

Q

A

A

S

A

Y
|
Y

S

S

A

A

S

S

K

K

G

G

V

I

V

V

G

G

M

M

T

T

L

L

P

P

I

I

A

A

R

R

D

D

L

L

S

A

S

P

A

I

G

G

I

I

R

R

V

V

N

V

T

T

V

I

A

A

P

P

G

G

L

L

I

F

D

A

T

T

P

P

I

L

Y

L

G

-

E

-

G

T

E

T

H

L

A

P

E

D

A

K

F

V

K

R

A

N

K

F

L

L

G

A

A

S

S

Q

V

V

L

P

F

F

P

P

K

S

R

R

L

L

G

G

V

D

G

P

E

A

E

E

L

Y

A

A

F

H

T

L

V

V

M

Q

E

M

C

V

I

I

T

E

N

N

P

P

Y

F

M

L

N

N

A

G

E

E

V

V

I

I

R

R

M

L

D

D

G

G

G

A

I

I

R

R

M

M

P

Q

P

P

S155 (= S150) binding substrate
Y168 (= Y163) active site, Proton acceptor

1e3wD Rat brain 3-hydroxyacyl-coa dehydrogenase binary complex with nadh and 3-keto butyrate (see paper)
45% identity, 98% coverage: 5:258/259 of query aligns to 1:255/255 of 1e3wD

query
sites
1e3wD

N

S

L

V

Q

K

G

G

S

L

S

V

S

A

I

V

V

I

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

I
x
L

G

G

E

L

A

S

T

T

A

A

R

K

Q

R

L

L

A

V

E

G

A

Q

G

G

S

A

K

T

V

A

V

V

I

L

A

L

D
|
D

L
x
V

N

P

E

N

E

S

K

E

G

G

K

E

Q

T

V

E

A

A

E

K

I

L

C

G

G

G

-

N

-

C

V

I

F

F

V

A

K

P

C

A

D
x
N

V
|
V

T

T

K

S

T

E

E

K

D

E

A

V

D

Q

A

A

I

L

A

T

A

L

A

A

C

K

E

E

-

K

L

F

G

G

P

R

L

I

R

D

A

V

C

A

V

V

N

N

S
x
C

A
|
A

G
|
G

L

I

G

A

L

V

P

A

A

I

R

K

T

T

I

Y

-

H

D

E

R

K

N

K

N

N

D

Q

P

V

M

H

D

T

L

L

K

E

G

D

F

F

E

Q

F

R

V

V

I

I

Q

N

V
|
V

N
|
N

L

L

I

I

G

G

T

T

F

F

N

N

V

V

L

I

S

R

R

L

A

V

A

A

A

G

A

V

M

M

A

G

K

Q

T

N

E

E

P

P

M

-

D

D

A

Q

D

G

G

G

A

Q

R

R

G

G

A

V

I

I

V

I

N

N

L
x
T

A

A

S
|
S

C

V

A

A

F

F

D

E

G

G

Q

Q

I

V

G

G

Q

Q

A

A

S

A

Y
|
Y

S

S

A

A

S

S

K
|
K

G

G

V

I

V

V

G

G

M

M

T

T

L

L

P

P

I

I

A

A

R

R

D

D

L

L

S

A

S

P

A

I

G

G

I

I

R

R

V

V

N

V

T

T

V

I

A

A

P
|
P

G

G

L
|
L

I
x
F

D

A

T
|
T

P

P

I
x
L

Y

L

G

-

E

-

G

T

E
x
T

H

L

A

P

E

D

A

K

F

V

K

R

A

N

K

F

L

L

G

A

A

S

S

Q

V

V

L

P

F

F

P

P

K

S

R

R

L

L

G

G

V

D

G

P

E

A

E

E

L

Y

A

A

F

H

T

L

V

V

M

Q

E

M

C

V

I

I

T

E

N

N

P

P

Y

F

M

L

N

N

A

G

E

E

V

V

I

I

R

R

M

L

D

D

G

G

G

A

I

I

R

R

M

M

P

Q

P

P

active site: G15 (= G19), N115 (= N115), T147 (≠ L148), S149 (= S150), Y162 (= Y163), K166 (= K167), F195 (≠ I196)
binding acetoacetic acid: Y162 (= Y163), T202 (≠ E205)
binding nicotinamide-adenine-dinucleotide: G11 (= G15), S14 (= S18), G15 (= G19), L16 (≠ I20), D35 (= D39), V36 (≠ L40), N58 (≠ D60), V59 (= V61), C85 (≠ S86), A86 (= A87), G87 (= G88), V114 (= V114), T147 (≠ L148), Y162 (= Y163), K166 (= K167), P192 (= P193), L194 (= L195), F195 (≠ I196), T197 (= T198), L199 (≠ I200)

1e6wC Rat brain 3-hydroxyacyl-coa dehydrogenase binary complex with nadh and estradiol (see paper)
45% identity, 98% coverage: 5:258/259 of query aligns to 1:248/248 of 1e6wC

query
sites
1e6wC

N

S

L

V

Q

K

G

G

S

L

S

V

S

A

I

V

V

I

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

I
x
L

G

G

E

L

A

S

T

T

A

A

R

K

Q

R

L

L

A

V

E

G

A

Q

G

G

S

A

K

T

V

A

V

V

I

L

A

L

D
|
D

L
x
V

N

P

E

N

E

S

K

E

G

G

K

E

Q

T

V

E

A

A

E

K

I

L

C

G

G

G

-

N

-

C

V

I

F

F

V

A

K

P

C

A

D
x
N

V
|
V

T

T

K

S

T

E

E

K

D

E

A

V

D

Q

A

A

I

L

A

T

A

L

A

A

C

K

E

E

-

K

L

F

G

G

P

R

L

I

R

D

A

V

C

A

V

V

N

N

S
x
C

A
|
A

G

G

L

I

G

A

L

V

P

A

A

I

R

K

T

T

I

Y

-

H

D

E

R

K

N

K

N

N

D

Q

P

V

M

H

D

T

L

L

K

E

G

D

F

F

E

Q

F

R

V

V

I

I

Q

N

V

V

N
|
N

L

L

I

I

G

G

T

T

F

F

N

N

V

V

L

I

S

R

R

L

A

V

A

A

A

G

A

V

M

M

A

G

K

Q

T

N

E

E

P

P

M

-

D

D

A

Q

D

G

G

G

A

Q

R

R

G

G

A

V

I

I

V

I

N

N

L
x
T

A

A

S
|
S

C

V

A

A

F

F

D

E

G

G

Q

Q

I

V

G

G

Q
|
Q

A

A

S

A

Y
|
Y

S

S

A

A

S

S

K
|
K

G

G

V

I

V

V

G

G

M

M

T

T

L

L

P

P

I

I

A

A

R

R

D

D

L

L

S

A

S

P

A

I

G

G

I

I

R

R

V

V

N

V

T

T

V

I

A

A

P
|
P

G

G

L
|
L

I
x
F

D

A

T
|
T

P

P

I
x
L

Y

-

G

-

E

-

G

-

E

-

H

-

A

-

E

-

A

-

F
x
L

K

T

A

N

K

F

L

L

G

A

A

S

S

Q

V

V

L

P

F

F

P

P

K

S

R

R

L

L

G

G

V

D

G

P

E

A

E

E

L

Y

A

A

F

H

T

L

V

V

M

Q

E

M

C

V

I

I

T

E

N

N

P

P

Y

F

M

L

N

N

A

G

E

E

V

V

I

I

R

R

M

L

D

D

G

G

G

A

I

I

R

R

M

M

P

Q

P

P

active site: G15 (= G19), N115 (= N115), T147 (≠ L148), S149 (= S150), Y162 (= Y163), K166 (= K167), F195 (≠ I196)
binding estradiol: Q159 (= Q160), Y162 (= Y163), L200 (≠ F210)
binding nicotinamide-adenine-dinucleotide: G11 (= G15), S14 (= S18), G15 (= G19), L16 (≠ I20), D35 (= D39), V36 (≠ L40), N58 (≠ D60), V59 (= V61), C85 (≠ S86), A86 (= A87), T147 (≠ L148), Y162 (= Y163), K166 (= K167), P192 (= P193), L194 (= L195), F195 (≠ I196), T197 (= T198), L199 (≠ I200)

1u7tA Crystal structure of abad/hsd10 with a bound inhibitor (see paper)
46% identity, 98% coverage: 5:258/259 of query aligns to 1:255/255 of 1u7tA

query
sites
1u7tA

N

S

L

V

Q

K

G

G

S

L

S

V

S

A

I

V

V

I

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

I
x
L

G

G

E

L

A

A

T

T

A

A

R

E

Q

R

L

L

A

V

E

G

A

Q

G

G

S

A

K

S

V

A

V

V

I

L

A

L

D
|
D

L
|
L

N

P

E

N

E

S

K

G

G

G

K

E

Q

A

V

Q

A

A

E

K

I

L

C

G

G

N

-

N

-

C

V

V

F

F

V

A

K

P

C

A

D
|
D

V
|
V

T

T

K

S

T

E

E

K

D

D

A

V

D

Q

A

T

A

A

I

L

A

A

-

L

A

A

A

K

C

G

E

K

L

F

G

G

P

R

L

V

R

D

A

V

C

A

V

V

N

N

S
x
C

A
|
A

G
|
G

L

I

G
x
A

L
x
V

P
x
A

A

S

R

K

T

T

I

Y

D

N

-

L

R

K

N

K

N

G

D

Q

P

T

M

H

D

T

L

L

K

E

G

D

F

F

E

Q

F

R

V

V

I

L

Q

D

V

V

N
|
N

L

L

I

M

G

G

T

T

F

F

N

N

V

V

L

I

S

R

R

L

A

V

A

A

A

G

A

E

M

M

A

G

K

Q

T

N

E

E

P

P

M

-

D

D

A

Q

D

G

G

G

A

Q

R

R

G

G

A

V

I

I

V

I

N

N

L
x
T

A

A

S
|
S

C

V

A

A

F

F

D

E

G

G

Q
|
Q

I

V

G

G

Q
|
Q

A

A

S

A

Y
|
Y

S

S

A

A

S

S

K
|
K

G

G

V

I

V

V

G

G

M

M

T

T

L

L

P

P

I

I

A

A

R

R

D

D

L

L

S

A

S

P

A

I

G

G

I

I

R

R

V

V

N

M

T

T

V

I

A

A

P
|
P

G

G

L
|
L

I
x
F

D

G

T
|
T

P

P

I
x
L

Y
x
L

G

-

E

-

G

T

E

S

H
x
L

A

P

E

E

A

K

F

V

K

R

A

N

K

F

L

L

G

A

A

S

S

Q

V

V

L

P

F

F

P

P

K

S

R

R

L

L

G

G

V

D

G

P

E

A

E

E

L

Y

A

A

F

H

T

L

V

V

M

Q

E

A

C

I

I

I

T

E

N

N

P

P

Y

F

M

L

N

N

A

G

E

E

V

V

I

I

R

R

M

L

D

D

G

G

G

A

I

I

R

R

M

M

P

Q

P

P

active site: G15 (= G19), N115 (= N115), T147 (≠ L148), S149 (= S150), Y162 (= Y163), K166 (= K167), F195 (≠ I196)
binding 1-azepan-1-yl-2-phenyl-2-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone adduct: G11 (= G15), S14 (= S18), G15 (= G19), L16 (≠ I20), D35 (= D39), L36 (= L40), D58 (= D60), V59 (= V61), C85 (≠ S86), A86 (= A87), G87 (= G88), A89 (≠ G90), V90 (≠ L91), A91 (≠ P92), T147 (≠ L148), S149 (= S150), Q156 (= Q157), Q159 (= Q160), Y162 (= Y163), K166 (= K167), P192 (= P193), L194 (= L195), F195 (≠ I196), T197 (= T198), L199 (≠ I200), L200 (≠ Y201), L203 (≠ H206)

8cbkC Structure of human mitochondrial rnase p in complex with mitochondrial pre-tRNA-his(5,ser) (see paper)
46% identity, 98% coverage: 5:258/259 of query aligns to 1:255/255 of 8cbkC

query
sites
8cbkC

N

S

L

V

Q

K

G

G

S

L

S

V

S

A

I

V

V

I

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

I
x
L

G

G

E

L

A

A

T

T

A

A

R

E

Q

R

L

L

A

V

E

G

A

Q

G

G

S

A

K

S

V

A

V

V

I

L

A

L

D
|
D

L
|
L

N

P

E

N

E

S

K

G

G

G

K

E

Q

A

V

Q

A

A

E

K

I

L

-

G

-

N

C

C

G

-

V

V

F

F

V

A

K

P

C

A

D
|
D

V
|
V

T

T

K

S

T

E

E

K

D

D

A

V

D

Q

A

T

A

A

I

L

A

A

-

L

A

A

A

K

C

G

E

K

L

F

G

G

P

R

L

V

R

D

A

V

C

A

V

V

N

N

S
x
C

A
|
A

G
|
G

L

I

G

A

L

V

P

A

A
x
S

R
x
K

T

T

I

Y

D

N

-

L

R

K

N

K

N

G

D

Q

P

T

M

H

D

T

L

L

K

E

G

D

F

F

E

Q

F

R

V

V

I

L

Q

D

V

V

N

N

L

L

I

M

G

G

T

T

F

F

N

N

V

V

L

I

S

R

R

L

A

V

A

A

A

G

A

E

M

M

A

G

K

Q

T

N

E

E

P

P

M

-

D

D

A

Q

D

G

G

G

A

Q

R

R

G

G

A

V

I

I

V

I

N

N

L
x
T

A

A

S
|
S

C

V

A

A

F

F

D

E

G

G

Q

Q

I

V

G

G

Q

Q

A

A

S

A

Y
|
Y

S

S

A

A

S

S

K

K

G

G

V

I

V

V

G

G

M

M

T

T

L

L

P

P

I

I

A

A

R

R

D

D

L

L

S

A

S

P

A

I

G

G

I

I

R

R

V

V

N

M

T

T

V

I

A

A

P
|
P

G
|
G

L

L

I

F

D

G

T
|
T

P

P

I
x
L

Y

L

G

-

E

-

G

T

E

S

H

L

A

P

E

E

A

K

F

V

K

C

A

N

K

F

L

L

G

A

A

S

S

Q

V

V

L

P

F

F

P

P

K

S

R

R

L

L

G

G

V

D

G

P

E

A

E

E

L

Y

A

A

F

H

T

L

V

V

M

Q

E

A

C

I

I

I

T

E

N

N

P

P

Y

F

M

L

N

N

A

G

E

E

V

V

I

I

R

R

M

L

D

D

G

G

G

A

I

I

R

R

M

M

P

Q

P

P

binding nicotinamide-adenine-dinucleotide: G11 (= G15), S14 (= S18), G15 (= G19), L16 (≠ I20), D35 (= D39), L36 (= L40), D58 (= D60), V59 (= V61), C85 (≠ S86), A86 (= A87), G87 (= G88), T147 (≠ L148), S149 (= S150), Y162 (= Y163), P192 (= P193), G193 (= G194), T197 (= T198), L199 (≠ I200)
binding : S92 (≠ A93), K93 (≠ R94)

Q99714 3-hydroxyacyl-CoA dehydrogenase type-2; 17-beta-estradiol 17-dehydrogenase; 2-methyl-3-hydroxybutyryl-CoA dehydrogenase; MHBD; 3-alpha-(17-beta)-hydroxysteroid dehydrogenase (NAD(+)); 3-hydroxy-2-methylbutyryl-CoA dehydrogenase; 3-hydroxyacyl-CoA dehydrogenase type II; 3alpha(or 20beta)-hydroxysteroid dehydrogenase; 7-alpha-hydroxysteroid dehydrogenase; Endoplasmic reticulum-associated amyloid beta-peptide-binding protein; Mitochondrial ribonuclease P protein 2; Mitochondrial RNase P protein 2; Short chain dehydrogenase/reductase family 5C member 1; Short-chain type dehydrogenase/reductase XH98G2; Type II HADH; EC 1.1.1.35; EC 1.1.1.62; EC 1.1.1.239; EC 1.1.1.178; EC 1.1.1.53; EC 1.1.1.159 from Homo sapiens (Human) (see 14 papers)
46% identity, 98% coverage: 5:258/259 of query aligns to 7:261/261 of Q99714

query
sites
Q99714

N

S

L

V

Q

K

G

G

S

L

S
x
V

S

A

I

V

V

I

T

T

G

G

A

A

S
|
S

G

G

I
x
L

G

G

E

L

A

A

T

T

A

A

R

E

Q

R

L

L

A

V

E

G

A

Q

G

G

S

A

K

S

V

A

V

V

I

L

A

L

D
|
D

L

L

N

P

E

N

E

S

K

G

G

G

K

E

Q

A

V

Q

A

A

E

K

I

L

-

G

-

N

C

C

G

-

V

V

F

F

V

A

K

P

C

A

D
|
D

V
|
V

T

T

K

S

T

E

E

K

D

D

A

V

D

Q

A

T

A

A

I

L

A

A

-

L

A

A

A

K

C

G

E

K

L

F

G

G

P

R

L

V

R
x
D

A

V

C

A

V

V

N

N

S
x
C

A

A

G

G

L

I

G

A

L

V

P

A

A

S

R

K

T

T

I

Y

D

N

-

L

R

K

N

K

N

G

D

Q

P

T

M

H

D

T

L

L

K

E

G

D

F

F

E

Q

F

R

V

V

I

L

Q

D

V

V

N

N

L

L

I

M

G

G

T

T

F

F

N

N

V

V

L

I

S
x
R

R

L

A

V

A

A

A

G

A

E

M

M

A

G

K

Q

T

N

E

E

P

P

M

-

D

D

A

Q

D

G

G

G

A

Q

R

R

G

G

A

V

I

I

V

I

N

N

L

T

A

A

S
|
S

C

V

A

A

F

F

D

E

G

G

Q

Q

I

V

G

G

Q
|
Q

A

A

S

A

Y
|
Y

S

S

A

A

S

S

K
|
K

G

G

V

I

V
|
V

G

G

M

M

T

T

L

L

P

P

I

I

A

A

R

R

D

D

L

L

S

A

S

P

A

I

G

G

I

I

R

R

V

V

N

M

T

T

V

I

A

A

P

P

G

G

L

L

I
x
F

D

G

T
|
T

P

P

I

L

Y

L

G

-

E

-

G

T

E

S

H

L

A
x
P

E

E

A
x
K

F

V

K

C

A

N

K

F

L

L

G

A

A

S

S

Q

V

V

L

P

F

F

P

P

K

S

R
|
R

L

L

G

G

V

D

G

P

E

A

E

E

L

Y

A

A

F

H

T

L

V

V

M

Q

E

A

C

I

I

I

T

E

N

N

P

P

Y

F

M

L

N
|
N

A

G

E
|
E

V

V

I

I

R

R

M

L

D

D

G

G

G

A

I

I

R

R

M

M

P

Q

P

P

V12 (≠ S10) to L: in HSD10MD; decreased dehydrogenase activity; decreased tRNA methylation; decreased mitochondrial tRNA 5'-end processing
S20 (= S18) binding NAD(+); mutation to F: Decreased dehydrogenase activity. Does not affect mitochondrial tRNA 5'-end processing. Does not affect tRNA methylation.
L22 (≠ I20) binding NAD(+)
D41 (= D39) binding NAD(+)
D64 (= D60) binding NAD(+)
V65 (= V61) binding NAD(+); to A: in HSD10MD; uncertain significance; dbSNP:rs104886492
D86 (≠ R81) to G: in HSD10MD; decreased 3-hydroxy-2-methylbutyryl-CoA dehydrogenase activity; no effect on NAD(+) binding; complete loss of phospholipase C-like activity toward cardiolipin; dbSNP:rs587777651
C91 (≠ S86) binding NAD(+)
R130 (≠ S124) to C: in HSD10MD; decreased stability; decreased 3-hydroxy-2-methylbutyryl-CoA dehydrogenase activity; decreased mitochondrial tRNA 5'-end processing; decreased tRNA methylation; does not affect homotetramerization; complete loss of phospholipase C-like activity toward cardiolipin; dbSNP:rs28935475
S155 (= S150) binding substrate
Q165 (= Q160) to H: in HSD10MD; loss of 3-hydroxy-2-methylbutyryl-CoA dehydrogenase activity; does not bind NAD(+); complete loss of phospholipase C-like activity toward cardiolipin
Y168 (= Y163) active site, Proton acceptor; binding NAD(+)
K172 (= K167) binding NAD(+); mutation to A: Abolishes dehydrogenase activity. Does not affect mitochondrial tRNA 5'-end processing. Does not affect tRNA methylation. Does not affect homotetramerization.
V176 (= V171) to M: in HSD10MD; decreased dehydrogenase activity; strongly decreased tRNA methylation; strongly decreased mitochondrial tRNA 5'-end processing
F201 (≠ I196) binding NAD(+)
T203 (= T198) binding NAD(+)
P210 (≠ A207) to S: in HSD10MD; decreased 3-hydroxyacyl-CoA dehydrogenase activity; decreased mitochondrial tRNA 5'-end processing; decreased tRNA methylation; does not affect homotetramerization
K212 (≠ A209) to E: in HSD10MD; 4-fold decrease of 3-hydroxyacyl-CoA dehydrogenase activity; decreased interaction with TRMT10C; decreased function in mitochondrial tRNA methylation; decreased function in mitochondrial tRNA processing; dbSNP:rs886041974
R226 (= R223) to Q: in HSD10MD; strongly decreased 3-hydroxyacyl-CoA dehydrogenase activity; abolished mitochondrial tRNA 5'-end processing; abolished tRNA methylation; impaired homotetramerization; dbSNP:rs1556894502
N247 (= N244) to S: in HSD10MD; strongly decreased 3-hydroxyacyl-CoA dehydrogenase activity; abolished mitochondrial tRNA 5'-end processing; abolished tRNA methylation; impaired homotetramerization; dbSNP:rs122461163
E249 (= E246) to Q: in HSD10MD; decreased 3-hydroxy-2-methylbutyryl-CoA dehydrogenase activity; dbSNP:rs62626305

O08756 3-hydroxyacyl-CoA dehydrogenase type-2; 17-beta-estradiol 17-dehydrogenase; 2-methyl-3-hydroxybutyryl-CoA dehydrogenase; MHBD; 3-alpha-(17-beta)-hydroxysteroid dehydrogenase (NAD(+)); 3-hydroxy-2-methylbutyryl-CoA dehydrogenase; 3-hydroxyacyl-CoA dehydrogenase type II; 3alpha(or 20beta)-hydroxysteroid dehydrogenase; 7-alpha-hydroxysteroid dehydrogenase; Endoplasmic reticulum-associated amyloid beta-peptide-binding protein; Mitochondrial ribonuclease P protein 2; Mitochondrial RNase P protein 2; Short chain dehydrogenase/reductase family 5C member 1; Short-chain type dehydrogenase/reductase XH98G2; Type II HADH; EC 1.1.1.35; EC 1.1.1.62; EC 1.1.1.239; EC 1.1.1.178; EC 1.1.1.53; EC 1.1.1.159 from Mus musculus (Mouse)
46% identity, 98% coverage: 5:258/259 of query aligns to 7:261/261 of O08756

query
sites
O08756

N

S

L

V

Q

K

G

G

S

L

S

V

S

A

I

V

V

V

T

T

G

G

A

A

S

S

G

G

I

P

G

W

E

L

A

A

T

T

A

A

R

K

Q

R

L

L

A

V

E

G

A

Q

G

G

S

A

K

T

V

A

V

V

I

L

A

L

D

D

L

V

N

P

E

D

E

S

K

E

G

G

K

E

Q

S

V

Q

A

A

E

K

I

L

-

G

-

E

-

S

C

C

G

-

V

I

F

F

V

A

K

P

C

A

D

N

V

V

T

T

K

S

T

E

E

K

D

E

A

I

D

Q

A

A

I

L

A

T

A

L

A

A

C

K

E

E

-

K

L

F

G

G

P

R

L

I

R

D

A

V

C

A

V

V

N

N

S

C

A

A

G

G

L

I

G

A

L

V

P

A

A

I

R

K

T

T

I

Y

-

H

D

Q

R

K

N

K

N

N

D

K

P

I

M

H

D

T

L

L

K

E

G

D

F

F

E

Q

F

R

V

V

I

I

Q

N

V

V

N

N

L

L

I

I

G

G

T

T

F

F

N

N

V

V

L

I

S

R

R

L

A

V

A

A

A

G

A

E

M

M

A

G

K

Q

T

N

E

E

P

P

M

-

D

D

A

Q

D

G

G

G

A

Q

R

R

G

G

A

V

I

I

V

I

N

N

L

T

A

A

S

S

C

V

A

A

F

F

D

E

G

G

Q

Q

I

V

G

G

Q

Q

A

A

S

A

Y

Y

S

S

A

A

S

S

K

K

G

G

V

I

V

D

G

G

M

M

T

T

L

L

P

P

I

I

A

A

R

R

D

D

L

L

S

A

S

P

A

T

G

G

I

I

R

R

V

V

N

V

T

T

V

I

A

A

P

P

G

G

L

L

I

F

D

A

T

T

P

P

I

L

Y

L

G

-

E

-

G

T

E

T

H

L

A

P

E

E

A

K

F

V

K

R

A

N

K

F

L

L

G

A

A

S

S

Q

V

V

L

P

F

F

P

P

K

S

R

R

L

L

G

G

V

D

G

P

E

A

E

E

L

Y

A

A

F

H

T

L

V

V

M

Q

E

T

C

I

I

I

T

E

N

N

P

P

Y

F

M

L

N

N

A

G

E

E

V

V

I

I

R

R

M

L

D

D

G

G

G

A

I

I

R

R

M

M

P

Q

P

P

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine

7n09A Structural basis for branched substrate selectivity in a ketoreductase from ascaris suum
43% identity, 97% coverage: 7:257/259 of query aligns to 7:258/259 of 7n09A

query
sites
7n09A

Q

K

G

G

S

L

S

V

S

A

I

L

V

V

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

I
x
L

G

G

E

R

A

G

T

A

A

A

R

E

Q

N

L

L

A

L

E

K

A

H

G

G

S

A

K

K

V

V

V

A

I

I

A

L

D
|
D

L
|
L

N

P

E

S

K

A

G

G

K

A

Q

E

V

V

A

A

E

K

E

E

I

L

C

G

G

G

-

D

-

C

V

I

F

F

V

T

K

P

C

A

D
x
S

V
|
V

T

T

K

A

T

A

E

S

D

E

A

V

D

K

A

S

A

A

I

L

A

A

-

D

A

V

A

K

C

K

E

K

L

F

G

G

P

R

L

L

R

D

A

V

C

A

V

V

N

N

S
x
C

A
|
A

G

G

L

I

G

A

L

Y

P

S

A

F

R

K

T

L

I

F

D

N

R

V

N

K

D

K

P

K

M

L

-

C

D

D

L

L

K

E

G

S

F

V

E

R

F

K

V

T

I

L

Q

D

V

V

N

N

L

V

I

M

G

G

T

Y

F

F

N

T

V

V

L

A

S

A

R

H

A

A

A

E

A

L

M

F

A

A

K

E

T

N

E

E

P

K

M

-

D

D

A

E

D

M

G

G

A

Q

R

R

G

G

A

V

I

I

V

I

N

N

L

T

A

A

S
|
S

C

I

A

A

F

F

D

D

G

G

Q

Q

I

A

G

G

Q

Q

A

S

S

A

Y
|
Y

S

S

A

A

S

S

K
|
K

G

G

G

A

V

I

V

V

G

G

M

M

T

T

L

L

P

P

I

L

A

A

R

R

D

D

L

F

S

A

S

D

A

D

G

G

I

I

R

R

V

V

N

V

T

T

V

I

A

A

P
|
P

G
|
G

L
x
I

I
x
F

D

D

T
|
T

P

P

I
x
M

Y

M

G

-

E

-

G

A

E

S

H

F

A

P

E

D

A

K

F

V

K

R

A

N

K

F

L

L

G

I

A

G

S

L

V

V

L

P

F

N

P

P

K

K

R

R

L

F

G

G

V

V

G

P

E

E

L

Y

A

G

F

A

T

L

V

V

M

R

E

H

C

I

I

I

T

E

N

N

P

R

Y

Y

M

L

N

N

A

G

E

E

V

V

I

I

R

R

M

L

D

D

G

G

G

A

I

L

R

R

M

M

P

P

binding nicotinamide-adenine-dinucleotide: G15 (= G15), S18 (= S18), G19 (= G19), L20 (≠ I20), D39 (= D39), L40 (= L40), S62 (≠ D60), V63 (= V61), C89 (≠ S86), A90 (= A87), S153 (= S150), Y166 (= Y163), K170 (= K167), P196 (= P193), G197 (= G194), I198 (≠ L195), F199 (≠ I196), T201 (= T198), M203 (≠ I200)

4o5oB X-ray crystal structure of a 3-hydroxyacyl-coa dehydrogenase from brucella suis
47% identity, 96% coverage: 12:259/259 of query aligns to 15:261/261 of 4o5oB

query
sites
4o5oB

I

L

V

I

T

T

G

G

G

A

A

G

S

S

G
|
G

I

L

G

G

E

A

A

A

T

V

A

S

R

K

Q

M

L

A

A

V

E

E

A

A

G

G

S

A

K

K

V

V

I

L

A

L

D

D

L

V

N

N

E

A

E

E

K

A

G

G

K

E

Q

A

V

G

A

A

E

K

E

A

I

L

-

G

-

A

C

S

G

A

V

R

F

F

V

Q

K

R

C

T

D

D

V

V

-

A

T

S

K

D

T

T

E

D

D

G

A

K

D

A

A

A

A

I

I

A

A

A

A

I

C

E

E

A

L

F

G

G

P

R

L

I

R

D

A

V

C

L

V

V

N

N

S

C

A

A

G

G

L

V

G

A

L

-

P

P

A

G

R

E

T

K

I

V

D

L

R

G

N

R

N

E

D

G

P

A

M

H

D

K

L

L

K

E

G

T

F

F

E

T

F

R

V

T

I

I

Q

S

V

I

N
|
N

L

L

I

I

G

G

T

T

F

F

N

N

V

M

L

L

S

R

R

L

A

A

A

E

A

A

M

M

A

A

K

K

T

N

E

E

P

P

M

-

D

G

A

Q

D

G

G

G

A

E

R

R

G

G

A

V

I

I

V

I

N

N

L
x
T

A

A

S
|
S

C

V

A

A

F

F

D

D

G

G

Q

Q

I

I

G

G

Q

Q

A

A

S

A

Y
|
Y

S

S

A

A

S

S

K
|
K

G

G

V

V

V

A

G

A

M

M

T

T

L

L

P

P

I

V

A

A

R

R

D

E

L

L

S

A

S

R

A

H

G

G

I

I

R

R

V

V

N

M

T

T

V

I

A

A

P

P

G

G

L

I

I

F

D
x
K

T

T

P

P

I

M

Y

M

G

A

E

-

G

G

E

M

H

P

A

Q

E

E

A

V

F

Q

K

D

A

A

K

-

L

L

G

G

A

A

S

S

V

V

L

P

F

F

P

P

K

P

R

R

L

L

G

G

V

E

G

P

E

A

E

E

L

Y

A

A

F

A

T

L

V

V

M

H

E

H

C

I

I

V

T

E

N

N

P

Q

Y

M

M

L

N

N

A

G

E

E

V

V

I

I

R

R

M

L

D

D

G

G

G

A

I

L

R

R

M

M

P

A

K

K

active site: G22 (= G19), N120 (= N115), T152 (≠ L148), S154 (= S150), Y167 (= Y163), K171 (= K167), K201 (≠ D197)

Sites not aligning to the query:

binding zinc ion: 1, 3

4nbuB Crystal structure of fabg from bacillus sp (see paper)
36% identity, 97% coverage: 6:256/259 of query aligns to 5:244/244 of 4nbuB

query
sites
4nbuB

L

L

Q

Q

G

D

S

K

S

V

S

A

I

I

V

I

T

T

G
|
G

G

A

A

A

S
x
N

G
|
G

I
|
I

G

G

E

L

A

E

T

A

A

A

R

R

Q

V

L

F

A

M

E

K

A

E

G

G

S

A

K

K

V

V

I

I

A

A

D
|
D

L
x
F

N

N

E

E

E

A

K

A

G

G

K

K

Q

E

V

A

A

V

E

E

E

A

I

N

C

P

G

G

V

V

-

V

F

F

V

I

K

R

C
x
V

D
|
D

V
|
V

T

S

K

D

T

R

E

E

D

S

A

V

D

H

A

R

A

L

I

V

A

E

A

N

A

V

C

A

E

E

-

R

L

F

G

G

P

K

L

I

R

D

A

I

C

L

V

I

N

N

S
x
N

A
|
A

G
|
G

L
x
I

G

-

L

-

P

-

A

-

R

-

T

T

I

R

D
|
D

R

S

N

M

N

L

D

S

P
x
K

M

M

D

T

L

V

K

D

G

Q

F

F

E

Q

F

Q

V

V

I

I

Q

N

V

V

N
|
N

L

L

I

T

G

G

T

V

F

F

N

H

V

C

L

T

S

Q

R

A

A

V

A

L

A

-

M

-

A

-

K

-

T

-

E

-

P

P

M

Y

D

M

A

A

D

E

G

Q

A

G

R

K

G

G

A

K

I

I

V

I

N

N

L
x
T

A

S

S
|
S

C

V

A

T

A

G

F

T

D

Y

G

G

Q
x
N

I
x
V

G

G

Q
|
Q

A

T

S

N

Y
|
Y

S

A

A

A

S

A

K
|
K

G

A

G

G

V

V

V

I

G

G

M

M

T

T

L

K

P

T

I

W

A

A

R

K

D

E

L

L

S

A

S

R

A

K

G

G

I

I

R

N

V

V

N

N

T

A

V

V

A

A

P
|
P

G

G

L
x
F

I
x
T

D

E

T
|
T

P

A

I
x
M

Y

V

G

A

E

E

G

V

E

-

H

-

A

P

E

E

A

K

F

V

K

I

A

E

K
|
K

L

M

G

K

A

A

S

Q

V

V

L

P

F

M

P

G

K

-

R

R

L

L

G

G

V

K

G

P

E

E

E

D

L

I

-

A

-

N

A

A

F

Y

T

L

V

F

M

L

E

A

C

S

I

H

T

E

N

S

P

D

Y

Y

M

V

N

N

A

G

E

H

V

V

I

L

R

H

M

V

D

D

G

G

I

I

R

M

M

M

active site: G18 (= G19), N111 (= N115), S139 (= S150), Q149 (= Q160), Y152 (= Y163), K156 (= K167)
binding acetoacetyl-coenzyme a: D93 (= D97), K98 (≠ P102), S139 (= S150), N146 (≠ Q157), V147 (≠ I158), Q149 (= Q160), Y152 (= Y163), F184 (≠ L195), M189 (≠ I200), K200 (= K213)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G15), N17 (≠ S18), G18 (= G19), I19 (= I20), D38 (= D39), F39 (≠ L40), V59 (≠ C59), D60 (= D60), V61 (= V61), N87 (≠ S86), A88 (= A87), G89 (= G88), I90 (≠ L89), T137 (≠ L148), S139 (= S150), Y152 (= Y163), K156 (= K167), P182 (= P193), F184 (≠ L195), T185 (≠ I196), T187 (= T198), M189 (≠ I200)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
33% identity, 96% coverage: 6:254/259 of query aligns to 8:250/258 of 4wecA

query
sites
4wecA

L

L

Q

A

G

G

S

K

S

V

S

A

I

V

V

I

T

T

G
|
G

G

G

A
|
A

S
|
S

G
|
G

I
|
I

G

G

E

L

A

A

T

T

A

G

R

R

Q

R

L

L

A

R

E

A

A

E

G

G

S

A

K

T

V

V

I

V

A

G

D
|
D

L
x
I

N

D

E

P

E

T

K

T

G

G

K

K

Q

A

V

A

A

A

E

D

E

E

I

L

C

E

G

G

V

L

F

F

V

V

K

P

C
x
V

D
|
D

V
|
V

T

S

K

E

T

Q

E

E

D

A

A

V

D

D

A

N

A

L

I

F

-

D

A

T

A

A

C

S

E

T

L

F

G

G

P

R

L

V

R

D

A

I

C

A

V

F

N

N

S
x
N

A

A

G

G

L

I

G

S

L

P

P

P

A

E

R

D

T

D

I

L

D

I

R

E

N

N

N

T

D

-

P

-

M

-

D

D

L

L

K

P

G

A

F

W

E

Q

F

R

V

V

I

Q

Q

D

V

I

N

N

L

L

I

K

G

-

T

-

F

-

N

S

V

V

L

Y

S

L

R

S

A

C

A

R

A

A

M

L

A

R

K

H

T

M

E

V

P

P

M

-

D

-

A

-

D

-

G

A

A

G

R

K

G

G

A

S

I

I

V

I

N

N

L
x
T

A

A

S
|
S

C

F

A

V

A

A

F

V

D

M

G

G

Q

S

-

A

I

T

G

S

Q
|
Q

A

I

S

S

Y
|
Y

S

T

A

A

S

S

K
|
K

G

G

V

V

V

L

G

A

M

M

T

S

L

R

P

E

I

L

A

G

R

V

D

Q

L

Y

S

A

S

R

A

Q

G

G

I

I

R

R

V

V

N

N

T

A

V

L

A

C

P
|
P

G

G

L
x
P

I
x
V

D

N

T

T

P

P

I

L

Y

L

G

Q

E

E

G

L

E

F

H

A

A

K

E

D

A

P

F

E

K

R

A

A

K

A

L

R

G

R

A

L

S

V

V

H

L

I

F

P

P

L

K

G

R

R

L

F

G

A

V

E

G

P

E

E

L

L

A

A

F

A

T

A

V

V

M

A

E

F

C

L

I

A

T

S

N

D

-

D

-

A

P

S

Y

F

M

I

N

T

A

G

E

S

V

T

I

F

R

L

M

V

D

D

G

G

I

I

active site: G21 (= G19), S143 (= S150), Q154 (= Q160), Y157 (= Y163), K161 (= K167)
binding nicotinamide-adenine-dinucleotide: G17 (= G15), A19 (= A17), S20 (= S18), G21 (= G19), I22 (= I20), D41 (= D39), I42 (≠ L40), V61 (≠ C59), D62 (= D60), V63 (= V61), N89 (≠ S86), T141 (≠ L148), Y157 (= Y163), K161 (= K167), P187 (= P193), P189 (≠ L195), V190 (≠ I196)

5h5xC Crystal structure of nadh bound carbonyl reductase from streptomyces coelicolor
36% identity, 91% coverage: 6:240/259 of query aligns to 11:238/257 of 5h5xC

query
sites
5h5xC

L

F

Q

A

G

G

S

R

S

T

S

A

I

L

V

V

T

T

G
|
G

G

A

A

A

S
|
S

G
|
G

I
|
I

G

G

E

L

A

A

T

T

A

A

R

R

Q

R

L

L

A

G

E

A

A

G

G

G

S

A

K

R

V

V

I

V

A

A

D
|
D

L
x
F

N

N

E

A

E

E

K

G

G

A

K

E

Q

K

V

A

-

A

-

E

-

L

-

R

A

A

E

G

I

V

C

E

G

A

V

A

F

A

V

V

K

E

C
x
L

D
|
D

V

V

T

T

K

R

T

P

E

E

D

S

A

V

D

E

A

A

I

V

A

G

A

F

A

A

C

V

E

D

-

T

L

F

G

G

P

S

L

L

R

D

A

L

C

A

V

V

N

N

S
x
N

A
|
A

G

G

L

I

G

G

L

G

P

P

A

S

R

A

T

P

I

-

D

-

R

-

N

-

N

T

D

G

P

E

M

Y

D

D

L

V

K

A

G

A

F

Y

E

Q

F

R

V

V

I

V

Q

R

V

T

N

N

L

L

I

D

G

G

T

V

F

F

N

Y

V

S

L

M

S

R

R

Y

A

-

M

-

A

-

K

E

T

L

E

P

P

A

M

I

D

E

A

A

D

A

G

G

A

K

R

G

G

G

A

S

I

I

V

V

N

N

L

V

A

A

S
|
S

C

I

A

L

A

G

F

S

D

V

G

G

Q

F

I

A

G

G

Q

S

A

P

S

A

Y
|
Y

S

V

A

A

S

A

K
|
K

G

H

G

G

V

V

G

G

M

L

T

T

L

K

P

A

I

A

A

A

R

A

D

E

L

Y

S

A

A

R

G

G

I

I

R

R

V

I

N

N

T

A

V

V

A

G

P
|
P

G
|
G

L

F

I
|
I

D

D

T
|
T

P

P

I

L

Y

L

G

K

E

T

G

M

E

E

H

E

A

A

E

-

A

A

F

Y

K

K

A

-

K

-

L

-

G

G

A

L

S

V

V

A

L

L

F

H

P

P

K

A

-

G

R

R

L

L

G

G

V

R

G

S

E

D

E

E

L

V

A

A

F

E

T

L

V

I

M

V

E

F

C

L

I

L

T

S

N

D

active site: G24 (= G19), S151 (= S150), Y164 (= Y163), K168 (= K167)
binding 1,4-dihydronicotinamide adenine dinucleotide: G20 (= G15), S23 (= S18), G24 (= G19), I25 (= I20), D44 (= D39), F45 (≠ L40), L69 (≠ C59), D70 (= D60), N97 (≠ S86), A98 (= A87), Y164 (= Y163), K168 (= K167), P194 (= P193), G195 (= G194), I197 (= I196), T199 (= T198)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
36% identity, 98% coverage: 4:256/259 of query aligns to 1:247/247 of 4jroC

query
sites
4jroC

V

M

N

T

L

L

Q

Q

G

G

S

K

S

V

S

A

I

V

V

V

T

T

G
|
G

G

G

A
x
S

S
x
R

G
|
G

I
|
I

G

G

E

R

A

D

T

I

A

A

R

I

Q

N

L

L

A

A

E

K

A

E

G

G

S

A

K

N

V

I

V

F

I

F

A
x
N

-
x
Y

-
x
N

-
x
G

-
x
S

-

P

D

E

L

A

N

A

E

E

K

T

G

A

K

K

Q

L

V

V

A

A

E

E

E

H

I

-

C

-

G

G

V

V

F

E

V

V

-

E

-

A

-

M

K

K

C

A

D
x
N

V
|
V

T

A

K

I

T

A

E

E

D

D

A

V

D

D

A

A

A

F

I

F

A

K

A

Q

A

A

C

I

E

E

-

R

L

F

G

G

P

R

L

V

R

D

A

I

C

L

V

V

N

N

S
x
N

A
|
A

G

G

L

-

G

-

L

-

P

-

A

-

R

-

T

-

I
|
I

D

T

R

R

N

D

N

N

D

L

P

L

M

M

D

R

L

M

K

K

G

E

F

D

E

E

F

W

-

D

V

V

I

I

Q

N

V
x
I

N

N

L

L

I

K

G

G

T

T

F

F

N

L

V

C

L

T

S

K

R

A

A

V

A

S

A

R

A

T

M

M

A

M

K

K

T

Q

E

R

P

A

M

-

D

-

A

-

D

-

G

-

A

-

R

-

G

G

A

K

I

I

V

I

N

N

L

M

A

A

S
|
S

C

V

A

V

A

G

F

L

D

I

G

G

Q

N

I

A

G

G

Q
|
Q

A

A

S

N

Y
|
Y

S

V

A

A

S

S

K
|
K

G

A

G

G

V

V

V

I

G

G

M

L

T

T

L

K

P

T

I

T

A

A

R

R

D

E

L

L

S

A

S

P

A

R

G

G

I

I

R

N

V

V

N

N

T

A

V

V

A

A

P
|
P

G

G

L

F

I
|
I

D

T

T
|
T

P

D

I

M

Y

T

G

D

E

K

G

L

E

D

H

E

-

K

-

T

A

K

E

E

A

A

F

M

K

L

A

A

K

Q

-

I

-

P

L

L

G

G

A

A

S

-

V

-

L

-

F

-

P

-

K

-

R

-

L

Y

G

G

V

T

G

T

E

E

E

D

L

I

A

A

F

N

T

A

V

V

M

L

E

F

C

L

I

A

T

S

N

D

-

A

-

S

P

K

Y

Y

M

I

N

T

A

G

E

Q

V

T

I

L

R

S

M

V

D

D

G

G

I

M

R

V

M

M

active site: G16 (= G19), S142 (= S150), Q152 (= Q160), Y155 (= Y163), K159 (= K167)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (≠ A17), R15 (≠ S18), G16 (= G19), I17 (= I20), N35 (≠ A38), Y36 (vs. gap), N37 (vs. gap), G38 (vs. gap), S39 (vs. gap), N63 (≠ D60), V64 (= V61), N90 (≠ S86), A91 (= A87), I93 (= I96), I113 (≠ V114), S142 (= S150), Y155 (= Y163), K159 (= K167), P185 (= P193), I188 (= I196), T190 (= T198)

P9WGT3 3-oxoacyl-[acyl-carrier-protein] reductase MabA; 3-ketoacyl reductase; 3-ketoacyl-acyl carrier protein reductase; Acetoacetyl-CoA reductase; Beta-ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; Mycolic acid biosynthesis A; EC 1.1.1.100; EC 1.1.1.36 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 7 papers)
36% identity, 95% coverage: 10:256/259 of query aligns to 17:245/247 of P9WGT3

query
sites
P9WGT3

S

S

S

V

I

L

V

V

T
|
T

G

G

A

N

S
x
R

G
|
G

I
|
I

G

G

E

L

A

A

T

I

A

A

R

Q

Q

R

L

L

A

A

E

A

A

D

G

G

S

H

K

K

V

V

V

A

I

V

A

T

D

-

L

-

N

-

E

-

E

H

K
x
R

G

G

K

S

Q

G

V

A

A

P

E

K

E

G

I

L

C

F

G

G

V

V

F

-

V

-

K

E

C
|
C

D
|
D

V
|
V

T

T

K

D

T

S

E

D

D

A

A

V

D

D

A

R

A

A

I

F

A

T

A

A

A

V

C

E

E

E

L

H

-

Q

G

G

P

P

L

V

R

E

A

V

C

L

V

V

N

S

S

N

A

A

G
|
G

L

L

G

S

L

A

P

D

A

A

R

F

T

L

I

M

D

R

R

-

N

-

D

-

P

-

M

M

D

T

L

E

K

E

G

K

F

F

E

E

F

K

V

V

I

I

Q

N

V

A

N

N

L

L

I
x
T

G

G

T

A

F

F

N

R

V

V

L

A

S

Q

R

R

A

A

A

S

A

R

A

S

M

M

A

Q

K

R

T

N

E

K

P

-

M

-

D

-

A

-

D

-

G

-

A

-

R

F

G

G

A

R

I

M

V

I

N

F

L

I

A
x
G

S
|
S

C

V

A

S

A

G

F
x
S

D

W

G

G

Q

I

I

G

G

N

Q

Q

A

A

S

N

Y

Y

S

A

A

A

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S

K

K

G

A

G

G

V

V

V

I

G

G

M

M

T

A

L

R

P

S

I

I

A

A

R

R

D

E

L

L

S

S

S

K

A

A

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N

I

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R

T

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A

N

N

T

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V

V

A

A

P

P

G

G

L
x
Y

I

I

D

D

T

T

P

D

I

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Y

-

G

-

E

-

G

-

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x
T

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A

A

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L

A

D

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G

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L

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P

-

A

K

K

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G

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G

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A

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E

L

V

A

A

F

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E

F

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N

E

-

D

-

A

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T21 (= T14) modified: Phosphothreonine; mutation to A: Slight decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-114 and A-191.
RGI 25:27 (≠ SGI 18:20) binding NADP(+)
R47 (≠ K44) binding NADP(+)
C60 (= C59) mutation to V: Displays a lower activity than the wild-type and a slightly decreased affinity for the cofactor. Retains 84% of activity; when associated with L-144. Totally inactive; when associated with A-139 and L-144.
DV 61:62 (= DV 60:61) binding NADP(+)
G90 (= G88) binding NADP(+)
T114 (≠ I117) modified: Phosphothreonine; mutation to A: Slight decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-21 and A-191.
G139 (≠ A149) mutation to A: Complete protein inactivation and freezes the catalytic site into its closed form. Totally inactive; when associated with V-60 and L-144.
S140 (= S150) mutation to A: Loss of activity. Can still bind NADPH.; mutation to T: Loss of activity. Impaired NADPH binding.
S144 (≠ F154) mutation to L: Stabilizes the catalytic loop in its open active form. Retains 84% of activity; when associated with V-60. Totally inactive; when associated with V-60 and A-139.
Y185 (≠ L195) mutation to L: 70% decrease in activity with acetoacetyl-CoA as substrate. Does not affect NADP binding.
T191 (≠ E205) modified: Phosphothreonine; mutation to A: Retains 22% of wild-type reductase activity. Strong decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-21 and A-114.; mutation to D: Phosphomimetic mutant that retains less than 10% of wild-type reductase activity. Impaired NADPH binding. Overproduction of the mutant leads to a significant inhibition of de novo biosynthesis of mycolic acids.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

7tzpG Crystal structure of putataive short-chain dehydrogenase/reductase (fabg) from klebsiella pneumoniae subsp. Pneumoniae ntuh-k2044 in complex with nadh (see paper)
35% identity, 97% coverage: 4:254/259 of query aligns to 4:245/247 of 7tzpG

query
sites
7tzpG

V

M

N

K

L

L

Q

A

G

S

S

K

S

T

S

A

I

I

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V

T

T

G
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G

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A

A

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R

G
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G

I
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I

G

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E

F

A

G

T

I

A

A

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Q

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L

L

A

A

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A

E

G

G

S

A

K

R

V

V

V

I

I

I

A

A

D
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D

L

-

N
x
R

E

D

E

A

K

H

G

G

K

E

Q

A

V

A

A

A

E

A

E

S

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-

R

-

E

-

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-

G

-

A

C

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G

A

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C
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C

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x
I

T

A

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T

K

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A

V

D

E

A

A

A

L

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A

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A

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A

A

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E

E

-

A

L

F

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G

P

P

L

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D

A

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C

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V

N

N

S
x
N

A

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G
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G

L
x
I

G

-

L

-

P

-

A

-

R

-

T

-

I

-

D

-

R

-

N

N

N

R

D

D

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A

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M

D

L

L

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K

-

L

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-

A

G

D

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E

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V

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N

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L

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T

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A

-

D

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A

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G

G

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R

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I

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N

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I

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A

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-

A

A

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L

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Q

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Y
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Y

S

S

A

A

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K
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K

G

A

G

G

V

V

G

G

M

M

T

T

L

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T

I

A

A

C

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R

D

E

L

L

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A

S

K

A

K

G

G

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R

T

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V

N

N

T

A

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I

A

C

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P

G

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I
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I

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D

T
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T

P

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x
T

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R

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G

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E

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H

N

A

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-

W

E

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A

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A

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A

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binding 1,4-dihydronicotinamide adenine dinucleotide: G15 (= G15), R18 (≠ S18), G19 (= G19), I20 (= I20), D39 (= D39), R40 (≠ N41), C63 (= C59), I65 (≠ V61), N91 (≠ S86), G93 (= G88), I94 (≠ L89), V114 (= V114), Y155 (= Y163), K159 (= K167), I188 (= I196), T190 (= T198), T193 (vs. gap)

Query Sequence

>WP_084201189.1 NCBI__GCF_002869505.1:WP_084201189.1
MPRVNLQGSSSIVTGGASGIGEATARQLAEAGSKVVIADLNEEKGKQVAEEICGVFVKCD
VTKTEDADAAIAAACELGPLRACVNSAGLGLPARTIDRNNDPMDLKGFEFVIQVNLIGTF
NVLSRAAAAMAKTEPMDADGARGAIVNLASCAAFDGQIGQASYSASKGGVVGMTLPIARD
LSSAGIRVNTVAPGLIDTPIYGEGEHAEAFKAKLGASVLFPKRLGVGEELAFTVMECITN
PYMNAEVIRMDGGIRMPPK

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory