SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ga0059261_2816 Ga0059261_2816 Dehydrogenases with different specificities (related to short-chain alcohol dehydrogenases) to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

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 paper)
51% identity, 96% coverage: 9:256/259 of query aligns to 7:253/255 of O18404

query
sites
O18404

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L33 (≠ I35) mutation to Q: Lethal allele.
F120 (= F124) mutation to I: Lethal allele.

4xgnA Crystal structure of 3-hydroxyacyl-coa dehydrogenase in complex with NAD from burkholderia thailandensis
53% identity, 95% coverage: 10:256/259 of query aligns to 12:252/255 of 4xgnA

query
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4xgnA

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active site: Y161 (= Y165), K165 (= K169)
binding nicotinamide-adenine-dinucleotide: G15 (= G13), S18 (= S16), G19 (= G17), L20 (= L18), D39 (= D37), L40 (= L38), C59 (≠ V57), D60 (= D58), V61 (= V59), C86 (= C85), A87 (= A86), G88 (= G87), I89 (≠ T88), V113 (= V118), T146 (= T150), A147 (= A151), S148 (= S152), Y161 (= Y165), K165 (= K169), P191 (= P195), G192 (= G196), I193 (= I197), F194 (= F198), T196 (= T200), P197 (= P201), M198 (≠ P202)

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)
48% identity, 97% coverage: 7:256/259 of query aligns to 11:259/261 of O70351

query
sites
O70351

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S155 (= S152) binding
Y168 (= Y165) active site, Proton acceptor

1e3wD Rat brain 3-hydroxyacyl-coa dehydrogenase binary complex with nadh and 3-keto butyrate (see paper)
48% identity, 97% coverage: 7:256/259 of query aligns to 5:253/255 of 1e3wD

query
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1e3wD

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active site: G15 (= G17), N115 (= N119), T147 (= T150), S149 (= S152), Y162 (= Y165), K166 (= K169), F195 (= F198)
binding acetoacetic acid: Q159 (= Q162), Y162 (= Y165), L199 (≠ P202), T202 (≠ G205), L203 (≠ V206)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), S14 (= S16), G15 (= G17), L16 (= L18), D35 (= D37), V36 (≠ L38), A57 (≠ V57), N58 (≠ D58), V59 (= V59), C85 (= C85), A86 (= A86), G87 (= G87), I88 (≠ T88), V114 (= V118), T147 (= T150), A148 (= A151), S149 (= S152), Y162 (= Y165), K166 (= K169), P192 (= P195), G193 (= G196), L194 (≠ I197), F195 (= F198), T197 (= T200), P198 (= P201), L199 (≠ P202)

7n09A Structural basis for branched substrate selectivity in a ketoreductase from ascaris suum
48% identity, 97% coverage: 7:257/259 of query aligns to 9:258/259 of 7n09A

query
sites
7n09A

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binding nicotinamide-adenine-dinucleotide: G15 (= G13), S18 (= S16), G19 (= G17), L20 (= L18), D39 (= D37), L40 (= L38), A61 (≠ V57), S62 (≠ D58), V63 (= V59), C89 (= C85), A90 (= A86), G91 (= G87), V118 (= V118), T151 (= T150), A152 (= A151), S153 (= S152), Y166 (= Y165), K170 (= K169), P196 (= P195), G197 (= G196), I198 (= I197), F199 (= F198), T201 (= T200), P202 (= P201), M203 (≠ P202), M204 (= M203)

1u7tA Crystal structure of abad/hsd10 with a bound inhibitor (see paper)
47% identity, 97% coverage: 7:256/259 of query aligns to 5:253/255 of 1u7tA

query
sites
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active site: G15 (= G17), N115 (= N119), T147 (= T150), S149 (= S152), Y162 (= Y165), K166 (= K169), F195 (= F198)
binding 1-azepan-1-yl-2-phenyl-2-(4-thioxo-1,4-dihydro-pyrazolo[3,4-d]pyrimidin-5-yl)ethanone adduct: G11 (= G13), S14 (= S16), G15 (= G17), L16 (= L18), D35 (= D37), L36 (= L38), A57 (≠ V57), D58 (= D58), V59 (= V59), C85 (= C85), A86 (= A86), G87 (= G87), I88 (≠ T88), A89 (≠ G89), V90 (≠ N90), A91 (≠ S91), V114 (= V118), T147 (= T150), A148 (= A151), S149 (= S152), Q156 (= Q159), V157 (≠ M160), Q159 (= Q162), Y162 (= Y165), K166 (= K169), P192 (= P195), G193 (= G196), L194 (≠ I197), F195 (= F198), T197 (= T200), P198 (= P201), L199 (≠ P202), L200 (≠ M203), L203 (≠ V206), L211 (= L214)

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)
47% identity, 97% coverage: 7:256/259 of query aligns to 11:259/261 of O08756

query
sites
O08756

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Sites not aligning to the query:

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

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)
47% identity, 97% coverage: 7:256/259 of query aligns to 11:259/261 of Q99714

query
sites
Q99714

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V12 (≠ S8) to L: in HSD10MD; decreased dehydrogenase activity; decreased tRNA methylation; decreased mitochondrial tRNA 5'-end processing
S20 (= S16) binding ; mutation to F: Decreased dehydrogenase activity. Does not affect mitochondrial tRNA 5'-end processing. Does not affect tRNA methylation.
L22 (= L18) binding
D41 (= D37) binding
D64 (= D58) binding
V65 (= V59) binding ; to A: in HSD10MD; unknown pathological significance; dbSNP:rs104886492
D86 (≠ R80) 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 (= C85) binding
R130 (≠ T128) 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 (= S152) binding
Q165 (= Q162) 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 (= Y165) active site, Proton acceptor; binding
K172 (= K169) binding ; mutation to A: Abolishes dehydrogenase activity. Does not affect mitochondrial tRNA 5'-end processing. Does not affect tRNA methylation. Does not affect homotetramerization.
V176 (= V173) to M: in HSD10MD; decreased dehydrogenase activity; strongly decreased tRNA methylation; strongly decreased mitochondrial tRNA 5'-end processing
F201 (= F198) binding
T203 (= T200) binding
P210 (= P207) to S: in HSD10MD; decreased 3-hydroxyacyl-CoA dehydrogenase activity; decreased mitochondrial tRNA 5'-end processing; decreased tRNA methylation; does not affect homotetramerization
K212 (≠ N209) 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

7onuC Structure of human mitochondrial rnase p in complex with mitochondrial pre-tRNA-tyr (see paper)
47% identity, 97% coverage: 7:256/259 of query aligns to 5:253/255 of 7onuC

query
sites
7onuC

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L

S

V

A

A

A

G

G

E

M

M

L

G

T

Q

L

N

D

E

P

P

V

D

D

Q

G

G

-

G

E

Q

R

R

G

G

A

V

I

I

V

I

C

N

T
|
T

A
|
A

S
|
S

A

V

A

A

Q

F

D

E

G

G

Q

Q

M

V

G

G

Q

Q

A

A

Y
|
Y

S

S

A

A

S

S

K
|
K

A

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

G

P

S

I

A

G

I

I

R

R

I

V

N

M

T

T

I

I

M

A

P
|
P

G
|
G

I

L

F
|
F

A

G

T
|
T

P
|
P

P
x
L

M
x
L

L

T

G

S

V

L

P

P

D

E

N

K

V

V

R

C

S

N

V

F

L

L

E

A

A

S

S

Q

V

V

P

P

F

F

P

P

K

S

R

R

F

L

G

G

A

D

P

P

A

A

E

E

Y

Y

A

A

S

H

L

L

V

V

L

Q

E

A

M

I

V

I

R

E

N

N

G

P

Y

F

F

L

N

N

G

G

E

E

T

V

V

I

R

R

L

L

D

D

G

G

A

A

I

I

R

R

M

M

binding nicotinamide-adenine-dinucleotide: G11 (= G13), A13 (= A15), S14 (= S16), G15 (= G17), L16 (= L18), D35 (= D37), L36 (= L38), S39 (≠ E41), D58 (= D58), V59 (= V59), C85 (= C85), A86 (= A86), G87 (= G87), I88 (≠ T88), V114 (= V118), T147 (= T150), A148 (= A151), S149 (= S152), Y162 (= Y165), K166 (= K169), P192 (= P195), G193 (= G196), F195 (= F198), T197 (= T200), P198 (= P201), L199 (≠ P202), L200 (≠ M203)
binding : A91 (≠ S91), S92 (≠ I92), K93 (= K93), K98 (= K100), K99 (≠ T101), Q101 (≠ E103)

6ujkA Crystal structure of a probable short-chain type dehydrogenase/reductase (rv1144) from mycobacterium tuberculosis with bound NAD
46% identity, 100% coverage: 1:259/259 of query aligns to 2:246/246 of 6ujkA

query
sites
6ujkA

M

M

K

K

L

T

D

K

S

D

S

A

I

V

S

-

A

A

I

V

V

V

T

T

G
|
G

G

G

A

A

S
|
S

G
|
G

L
|
L

G

G

H

L

A

A

T

T

A

T

K

K

A

R

I

L

A

L

E

D

T

A

G

G

A

A

K

Q

V

V

A

V

I

V

F

V

D
|
D

L
|
L

N

R

E

-

L

-

G

G

E

D

K

D

V

V

A

V

A

G

E

G

I

L

G

G

-

D

-

R

G

A

I

R

F

F

C

A

K

Q

V
x
A

D
|
D

V
|
V

L

T

S

D

D

E

E

A

S

A

V

V

D

S

A

N

A

A

F

L

E

E

K

L

A

A

R

D

S

S

A

L

N

-

G

G

Q

P

E

V

R

R

V

V

L

V

V

V

N

N

C
|
C

A
|
A

G
|
G

T

T

G

G

N

N

S

A

I

I

K

R

T

V

A

L

G

S

V

R

D

D

K

G

K

-

T

-

G

-

E

-

I

-

K

-

Y

V

F

F

P

P

S

L

D

A

K

A

F

F

A

R

W

K

V

I

L

V

M

D

V
x
I

N

N

T

L

V

V

G

G

T

T

F

F

R

N

C

V

I

L

T

R

R

L

S

G

A

A

A

E

G

R

M

I

L

A

T

K

L

T

D

E

P

P

V

I

D

G

G

E

E

E

R

R

G

G

A

V

I

I

V

I

C

N

T
|
T

A
|
A

S
|
S

A

V

A

A

Q

F

D

D

G

G

Q

Q

M

I

G

G

Q

Q

A

A

Y
|
Y

S

S

A

A

S

S

K
|
K

A

G

V

V

G

G

M

M

T

T

L

L

P

P

I

I

A

A

R

R

D

D

L

L

S

A

G

S

S

K

A

L

I

I

R

R

I

V

N

V

T

T

I

I

M

A

P
|
P

G
|
G

I
x
L

F
|
F

A

D

T
|
T

P
|
P

P
x
L

M

L

L

-

G

-

V

-

P

-

D

-

N

A

V

A

R

K

S

A

V

S

L

L

E

G

A

Q

S

Q

V

V

P

P

F

H

P

P

K

S

R

R

F

L

G

G

A

N

P

P

A

D

E

E

Y

Y

A

G

S

A

L

L

V

V

L

L

E

H

M

I

V

I

R

E

N

N

G

P

Y

M

F

L

N

N

G

G

E

E

T

V

V

I

R

R

L

L

D

D

G

G

A

A

I

I

R

R

M

M

P

A

M

P

R

R

binding nicotinamide-adenine-dinucleotide: G13 (= G13), S16 (= S16), G17 (= G17), L18 (= L18), D37 (= D37), L38 (= L38), A56 (≠ V57), D57 (= D58), V58 (= V59), C83 (= C85), A84 (= A86), G85 (= G87), I110 (≠ V118), T142 (= T150), A143 (= A151), S144 (= S152), Y157 (= Y165), K161 (= K169), P187 (= P195), G188 (= G196), L189 (≠ I197), F190 (= F198), T192 (= T200), P193 (= P201), L194 (≠ P202)

1e6wC Rat brain 3-hydroxyacyl-coa dehydrogenase binary complex with nadh and estradiol (see paper)
46% identity, 97% coverage: 7:256/259 of query aligns to 5:246/248 of 1e6wC

query
sites
1e6wC

I

L

S

V

A

A

I

V

V

I

T

T

G
|
G

G

G

A
|
A

S
|
S

G
|
G

L
|
L

G

G

H

L

A

S

T

T

A

A

K

K

A

R

I

L

A

V

E

G

T

Q

G

G

A

A

K

T

V

A

A

V

I

L

F

L

D
|
D

L
x
V

N

P

E

N

E

S

L

E

G

G

E

E

K

T

V

E

A

A

A

K

E

K

I

L

G

G

-

N

-

C

I

I

F

F

C

A

K

P

V
x
A

D
x
N

V
|
V

L

T

S

S

D

E

E

K

S

E

V

V

D

Q

A

A

F

L

E

T

K

L

A

A

R

K

S

E

A

K

N

F

G

G

Q

R

E

I

R

D

V

V

L

A

V

V

N

N

C
|
C

A
|
A

G
|
G

T
x
I

G

A

N

V

S

A

I

I

K

K

T

T

A

-

G

-

V

Y

D

H

K

E

K

K

T

K

G

N

E

Q

I

V

K

H

Y

T

F

L

P

-

S

-

D

E

K

D

F

F

A

Q

W

R

V

V

L

I

M

N

V
|
V

N
|
N

T

L

V

I

G

G

T

T

F

F

R

N

C

V

I

I

T

-

R

R

S

L

A

V

A

A

G

G

M

V

L

M

T

G

L

Q

D

N

P

E

V

P

D

D

-

Q

-

G

G

G

E

Q

R

R

G

G

A

V

I

I

V

I

C

N

T
|
T

A
|
A

S
|
S

A

V

A

A

Q

F

D

E

G

G

Q

Q

M

V

G

G

Q
|
Q

A

A

Y
|
Y

S

S

A

A

S

S

K
|
K

A

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

G

P

S

I

A

G

I

I

R

R

I

V

N

V

T

T

I

I

M

A

P
|
P

G
|
G

I
x
L

F
|
F

A

A

T
|
T

P
|
P

P
x
L

M
x
L

L

-

G

-

V

-

P

-

D

-

N

-

V

-

R

T

S

N

V

F

L

L

E

A

A

S

S

Q

V

V

P

P

F

F

P

P

K

S

R

R

F

L

G

G

A

D

P

P

A

A

E

E

Y

Y

A

A

S

H

L

L

V

V

L

Q

E

M

M

V

V

I

R

E

N

N

G

P

Y

F

F

L

N

N

G

G

E

E

T

V

V

I

R

R

L

L

D

D

G

G

A

A

I

I

R

R

M

M

active site: G15 (= G17), N115 (= N119), T147 (= T150), S149 (= S152), Y162 (= Y165), K166 (= K169), F195 (= F198)
binding estradiol: Q159 (= Q162), Y162 (= Y165), L200 (≠ M203)
binding nicotinamide-adenine-dinucleotide: G11 (= G13), A13 (= A15), S14 (= S16), G15 (= G17), L16 (= L18), D35 (= D37), V36 (≠ L38), A57 (≠ V57), N58 (≠ D58), V59 (= V59), C85 (= C85), A86 (= A86), G87 (= G87), I88 (≠ T88), V114 (= V118), T147 (= T150), A148 (= A151), S149 (= S152), Y162 (= Y165), K166 (= K169), P192 (= P195), G193 (= G196), L194 (≠ I197), F195 (= F198), T197 (= T200), P198 (= P201), L199 (≠ P202)

4o5oB X-ray crystal structure of a 3-hydroxyacyl-coa dehydrogenase from brucella suis
47% identity, 99% coverage: 1:256/259 of query aligns to 7:258/261 of 4o5oB

query
sites
4o5oB

M

M

K

Q

L

I

D

E

S

N

S

R

I

V

S

F

A

-

I

L

V

I

T

T

G

G

G

A

A

G

S

S

G
|
G

L

L

G

G

H

A

A

A

T

V

A

S

K

K

A

M

I

A

A

V

E

E

T

A

G

G

A

A

K

K

V

V

A

V

I

L

F

L

D

D

L

V

N

N

E

A

E

E

L

A

G

G

E

E

K

A

V

G

A

A

A

K

E

A

I

L

G

G

G

A

I

S

-

A

-

R

F

F

C

Q

K

R

V

T

D

D

V

V

L

A

S

S

D

D

E

T

S

D

V

G

D

K

A

A

F

I

E

A

K

A

A

A

R

I

S

E

A

A

N

F

G

G

Q

R

E

I

R

D

V

V

L

L

V

V

N

N

C

C

A

A

G

G

T

V

G

A

N

P

S

G

I

E

K

K

T

V

A

L

G

G

V

-

D

-

K

-

K

R

T

E

G

G

E

A

I

H

K

K

Y

L

F

-

P

-

S

-

D

E

K

T

F

F

A

T

W

R

V

T

L

I

M

S

V

I

N
|
N

T

L

V

I

G

G

T

T

F

F

R

N

C

M

I

L

T

R

R

L

S

A

A

A

A

E

G

A

M

M

L

A

T

K

L

N

D

E

P

P

V

G

D

Q

G

G

-

G

E

E

R

R

G

G

A

V

I

I

V

I

C

N

T
|
T

A

A

S
|
S

A

V

A

A

Q

F

D

D

G

G

Q

Q

M

I

G

G

Q

Q

A

A

Y
|
Y

S

S

A

A

S

S

K
|
K

A

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

G

R

S

H

A

G

I

I

R

R

I

V

N

M

T

T

I

I

M

A

P

P

G

G

I

I

F

F

A
x
K

T

T

P

P

P

M

M

M

L

A

G

G

V

M

P

P

D

Q

N

E

V

V

R

Q

S

D

V

A

L

L

E

G

A

A

S

S

V

V

P

P

F

F

P

P

K

P

R

R

F

L

G

G

A

E

P

P

A

A

E

E

Y

Y

A

A

S

A

L

L

V

V

L

H

E

H

M

I

V

V

R

E

N

N

G

Q

Y

M

F

L

N

N

G

G

E

E

T

V

V

I

R

R

L

L

D

D

G

G

A

A

I

L

R

R

M

M

active site: G22 (= G17), N120 (= N119), T152 (= T150), S154 (= S152), Y167 (= Y165), K171 (= K169), K201 (≠ A199)

Sites not aligning to the query:

binding zinc ion: 1, 3

2o23B The structure of wild-type human hadh2 (17beta-hydroxysteroid dehydrogenase type 10) bound to NAD+ at 1.2 a
46% identity, 97% coverage: 7:256/259 of query aligns to 11:251/255 of 2o23B

query
sites
2o23B

I

L

S

V

A

A

I

V

V

I

T

T

G
|
G

G

G

A
|
A

S
|
S

G
|
G

L
|
L

G

G

H

L

A

A

T

T

A

A

K

E

A

R

I

L

A

V

E

G

T

Q

G

G

A

A

K

S

V

A

A

V

I

L

F

L

D
|
D

L
|
L

N

P

E

N

E

S

L

G

G

G

E

E

K

A

V

Q

A

A

A

K

E

K

I

L

G

G

G

N

-

N

-

C

I

V

F

F

C

A

K

P

V
x
A

D
|
D

V
|
V

L

T

S

S

D

E

E

K

S

D

V

V

D

Q

A

T

A

A

F

L

E

A

K

L

A

A

R

K

S

G

A

K

N

F

G

G

Q

R

E

V

R

D

V

V

L

A

V

V

N

N

C
|
C

A
|
A

G
|
G

T
x
I

G

A

N

V

S

A

I

S

K

K

T

T

A

-

G

-

V

Y

D

N

K

L

K

K

T

K

G

G

E

Q

I

T

K

H

Y

T

F

L

P

-

S

-

D

E

K

D

F

F

A

Q

W

R

V

V

L

L

M

D

V
|
V

N
|
N

T

L

V

M

G

G

T

T

F

F

R

N

C

V

I

I

T

R

R

L

S

V

A

A

A

G

G

E

M

M

L

G

T

Q

L

N

D

E

P

P

V

D

D

Q

G

G

-

G

E

Q

R

R

G

G

A

V

I

I

V

I

C

N

T
|
T

A
|
A

S
|
S

A

V

A

A

Q

F

D

E

G

G

Q

Q

M

V

G

G

Q

Q

A

A

Y
|
Y

S

S

A

A

S

S

K
|
K

A

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

G

P

S

I

A

G

I

I

R

R

I

V

N

M

T

T

I

I

M

A

P
|
P

G
|
G

I
x
L

F
|
F

A

G

T
|
T

P
|
P

P
x
L

M
x
L

L

-

G

-

V

-

P

-

D

-

N

-

V

-

R

-

S

N

V

F

L

L

E

A

A

S

S

Q

V

V

P

P

F

F

P

P

K

S

R

R

F

L

G

G

A

D

P

P

A

A

E

E

Y

Y

A

A

S

H

L

L

V

V

L

Q

E

A

M

I

V

I

R

E

N

N

G

P

Y

F

F

L

N

N

G

G

E

E

T

V

V

I

R

R

L

L

D

D

G

G

A

A

I

I

R

R

M

M

active site: G21 (= G17), N121 (= N119), T153 (= T150), S155 (= S152), Y168 (= Y165), K172 (= K169), F201 (= F198)
binding nicotinamide-adenine-dinucleotide: G17 (= G13), A19 (= A15), S20 (= S16), G21 (= G17), L22 (= L18), D41 (= D37), L42 (= L38), A63 (≠ V57), D64 (= D58), V65 (= V59), C91 (= C85), A92 (= A86), G93 (= G87), I94 (≠ T88), V120 (= V118), T153 (= T150), A154 (= A151), S155 (= S152), Y168 (= Y165), K172 (= K169), P198 (= P195), G199 (= G196), L200 (≠ I197), F201 (= F198), T203 (= T200), P204 (= P201), L205 (≠ P202), L206 (≠ M203)

1uayA Crystal structure of type ii 3-hydroxyacyl-coa dehydrogenase from thermus thermophilus hb8
45% identity, 97% coverage: 8:259/259 of query aligns to 3:241/241 of 1uayA

query
sites
1uayA

S

S

A

A

I

L

V

V

T

T

G
|
G

G

G

A
|
A

S
|
S

G
|
G

L

L

G

G

H

R

A

A

T

A

A

A

K

L

A

A

I

L

A

K

E

A

T

R

G

G

A

Y

K

R

V

V

A

V

I

V

F

L

D
|
D

L
|
L

N
x
R

E

R

E

E

L

-

G

G

E

E

K

D

V

L

A

-

E

-

I

-

G

-

I

I

F

Y

C

V

K

E

V
x
G

D
|
D

V
|
V

L

T

S

R

D

E

E

E

S

D

V

V

D

R

A

R

A

A

F

V

E

A

K

R

A

A

R

Q

S

E

A

-

N

E

G

A

Q

P

E

L

R

F

V

A

L

V

V

V

N

S

C
x
A

A
|
A

G
|
G

T
x
V

G

G

N

L

S

A

I

E

K

K

T

I

A

L

G

G

V

K

D

E

K

G

K

P

T

H

G

G

E

-

I

-

K

-

Y

-

F

-

P

-

S

L

D

E

K

S

F

F

A

R

W

R

V

V

L

L

M

E

V
|
V

N

N

T

L

V

L

G

G

T

T

F

F

R

N

C

V

I

L

T

-

R

R

S

L

A

A

G

W

M

A

L

M

T

R

L

E

D

N

P

P

V

P

D

D

-

A

-

E

G

G

E

Q

R

R

G

G

A

V

I

I

V

V

C

N

T

T

A

A

S
|
S

A

V

A

A

Q

F

D

E

G

G

Q

Q

M

I

G

G

Q

Q

A

A

Y
|
Y

S

A

A

A

S

S

K
|
K

A

G

V

V

G

A

M

L

T

T

L

L

P

P

I

A

A

A

R

R

D

E

L

L

S

A

G

G

S

W

A

G

I

I

R

R

I

V

N

V

T

T

I

V

M

A

P

P

G

G

I

L

F

F

A

D

T

T

P

P

P

L

M

L

L

Q

G

G

V

L

P

P

D

E

N

K

V

A

R

K

S

A

V

S

L

L

E

A

A

A

S

Q

V

V

P

P

F

F

P

P

K

P

R

R

F

L

G

G

A

R

P

P

A

E

E

E

Y

Y

A

A

S

A

L

L

V

V

L

L

E

H

M

I

V

L

R

E

N

N

G

P

Y

M

F

L

N

N

G

G

E

E

T

V

V

V

R

R

L

L

D

D

G

G

A

A

I

L

R

R

M

M

P

A

M

P

R

R

active site: G12 (= G17), S134 (= S152), Y147 (= Y165), K151 (= K169)
binding adenosine: G8 (= G13), A10 (= A15), S11 (= S16), D32 (= D37), L33 (= L38), R34 (≠ N39), G45 (≠ V57), D46 (= D58), V47 (= V59), A72 (≠ C85), A73 (= A86), G74 (= G87), V75 (≠ T88), V99 (= V118)

3ppiA Crystal structure of 3-hydroxyacyl-coa dehydrogenase type-2 from mycobacterium avium (see paper)
41% identity, 96% coverage: 8:256/259 of query aligns to 9:255/258 of 3ppiA

query
sites
3ppiA

S

S

A

A

I

I

V

V

T

S

G
|
G

G

G

A

A

S
x
G

G
|
G

L

L

G

G

H

E

A

A

T

T

A

V

K

R

A

R

I

L

A

H

E

A

T

D

G

G

A

L

K

G

V

V

A

V

I

I

F

A

D

D

L

L

N

A

E

A

E

E

L

K

G

G

E

K

K

A

V

L

A
|
A

A

D

E

E

I

L

G
|
G

G

N

I

R

-
x
A

-

E

F

F

C

V

K

S

V

T

D

N

V

V

L

T

S

S

D

E

E

D

S

S

V

V

D

L

A

A

F

I

E

E

K

A

A

A

R

N

S

Q

A

L

N

G

G

R

Q

L

E

R

R

Y

V

A

L

V

V

V

N

A

C

H

A

G

G

G

T

F

G

G

N

V

S

A

I

Q

K

R

T

I

A

V

G

Q

V

R

D

D

K

G

K

S

T

-

G

-

E

-

I

-

K

-

Y

-

F

-

P

P

S

A

D

D

K

M

-

G

F

F

A

T

W

K

V

T

L

I

M

D

V

L

N

Y

T

L

V

N

G

G

T

T

F

Y

R

N

C

V

I

A

T

R

R

L

S

V

A

A

G

S

M

I

L

A

T

A

L

A

D

E

P

P

V

R

D

E

-

N

G

G

E

E

R

R

G

G

A

A

I

L

V

V

C

L

T

T

A

A

S
|
S

A

I

A

A

A

G

Q

Y

D

E

G

G

Q

Q

M

I

G

G

Q

Q

A

T

A

A

Y
|
Y

S

A

A

A

S

A

K
|
K

A

A

A

G

V

V

V

I

G

G

M

L

T

T

L

I

P

A

I

A

A

A

R

R

D

D

L

L

S

S

G

S

S

A

A

G

I

I

R

R

I

V

N

N

T

T

I

I

M

A

P

P

G

G

I

T

F

M

A
x
K

T

T

P

P

P

I

M

M

L

E

G

S

V

V

P

G

D

E

N

E

V

A

R

L

S

A

V

K

L

F

E

A

A

A

S

N

V

I

P

P

F

F

P

P

K

K

R

R

F

L

G

G

A

T

P

P

A

D

E

E

Y

F

A

A

S

D

L

A

V

A

L

A

E

F

M

L

V

L

R

T

N

N

G

G

Y

Y

F

I

N

N

G

G

E

E

T

V

V

M

R

R

L

L

D

D

G

G

A

A

I

Q

R

R

M

F

active site: G18 (= G17), S151 (= S152), Y164 (= Y165), K168 (= K169), K198 (≠ A199)
binding magnesium ion: G14 (= G13), G17 (≠ S16), A48 (= A47), G52 (= G51), A55 (vs. gap)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
33% identity, 96% coverage: 9:256/259 of query aligns to 10:244/244 of 4nbuB

query
sites
4nbuB

A

A

I

I

V

I

T

T

G
|
G

G

A

A
|
A

S
x
N

G
|
G

L
x
I

G

G

H

L

A

E

T

A

A

A

K

R

A

V

I

F

A

M

E

K

T

E

G

G

A

A

K

K

V

V

A

V

I

I

F

A

D
|
D

L
x
F

N
|
N

E

E

E

A

L

A

G

G

-

K

E

E

K

A

V

V

A

E

A

A

E

N

I

P

G

G

G

V

I

V

F

F

C

I

K

R

V
|
V

D
|
D

V
|
V

L

S

S

D

D

R

E

E

S

S

V

V

D

H

A

R

A

L

F

V

E

E

K

N

A

V

R

A

S

E

A

R

N

F

G

G

Q

K

E

I

R

D

V

I

L

L

V

I

N

N

C
x
N

A
|
A

G
|
G

T
x
I

G

-

N

-

S

-

I

-

K

-

T

-

A

-

G

-

V

-

D

-

K
x
T

K

R

T
x
D

G

S

E

M

I

L

K

S

Y
x
K

F

M

P

T

S

V

D

D

K

Q

F

F

A

Q

W

Q

V

V

L

I

M

N

V
|
V

N
|
N

T

L

V

T

G

G

T

V

F

F

R

H

C

C

I

T

T

Q

R

A

S

V

A

L

A

P

G

Y

M

M

L

-

T

-

L

-

D

-

P

-

V

A

D

E

G

Q

E

G

R

K

G

G

A

K

I

I

V

I

C

N

T
|
T

A
x
S

S
|
S

A

V

A
x
T

A

G

Q

T

D

Y

G

G

Q
x
N

M
x
V

G
|
G

Q
|
Q

A

T

A

N

Y
|
Y

S

A

A

A

S

A

K
|
K

A

A

A

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

G

R

S

K

A

G

I

I

R

N

I

V

N

N

T

A

I

V

M

A

P
|
P

G
|
G

I
x
F

F
x
T

A

E

T
|
T

P
x
A

P
x
M

M
x
V

L

A

G

E

V

V

P

P

D

E

N

K

V

V

R

I

S

E