SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AZOBR_RS20225 AZOBR_RS20225 3-hydroxyacyl-CoA dehydrogenase 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)

P00348 Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial; HCDH; L-3-hydroxyacyl CoA dehydrogenase; Medium and short-chain L-3-hydroxyacyl-coenzyme A dehydrogenase; Short-chain 3-hydroxyacyl-CoA dehydrogenase; EC 1.1.1.35 from Sus scrofa (Pig) (see paper)
33% identity, 37% coverage: 3:292/777 of query aligns to 27:312/314 of P00348

query
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P00348

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GGGLMG 34:39 (≠ GSGVMG 10:15) binding
D57 (= D33) binding
E122 (= E94) binding
K127 (= K99) binding
S149 (= S121) binding

1f17A L-3-hydroxyacyl-coa dehydrogenase complexed with nadh (see paper)
33% identity, 37% coverage: 3:292/777 of query aligns to 4:289/293 of 1f17A

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active site: S126 (= S121), H147 (= H144), E159 (= E156), N197 (= N195)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G10), G12 (≠ S11), G13 (= G12), L14 (≠ V13), M15 (= M14), D34 (= D33), Q35 (≠ K37), I39 (≠ D41), A96 (= A91), I97 (= I92), V98 (= V93), E99 (= E94), K104 (= K99), N124 (= N119), S126 (= S121), H147 (= H144), F148 (= F145)

1f12A L-3-hydroxyacyl-coa dehydrogenase complexed with 3-hydroxybutyryl-coa (see paper)
33% identity, 37% coverage: 3:292/777 of query aligns to 4:289/293 of 1f12A

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1f12A

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active site: S126 (= S121), H147 (= H144), E159 (= E156), N197 (= N195)
binding 3-hydroxybutanoyl-coenzyme a: S50 (≠ R52), K57 (≠ A59), S126 (= S121), H147 (= H144), F149 (= F146), N150 (= N147), P151 (= P148), V154 (≠ Y151), M155 (= M152), N197 (= N195), L200 (≠ G198), P232 (= P230), M233 (≠ T232), L238 (= L237)

1f0yA L-3-hydroxyacyl-coa dehydrogenase complexed with acetoacetyl-coa and NAD+ (see paper)
33% identity, 37% coverage: 3:292/777 of query aligns to 4:289/291 of 1f0yA

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active site: S126 (= S121), H147 (= H144), E159 (= E156), N197 (= N195)
binding acetoacetyl-coenzyme a: S50 (≠ R52), V54 (≠ T56), K57 (≠ A59), S126 (= S121), H147 (= H144), F148 (= F145), F149 (= F146), N150 (= N147), P151 (= P148), P153 (≠ R150), V154 (≠ Y151), M155 (= M152), N197 (= N195), L200 (≠ G198), G228 (≠ P226), A229 (≠ M227), P232 (= P230), M233 (≠ T232), L238 (= L237), Y241 (≠ L240), V242 (= V241)
binding nicotinamide-adenine-dinucleotide: I10 (= I9), G11 (= G10), G12 (≠ S11), G13 (= G12), L14 (≠ V13), M15 (= M14), D34 (= D33), Q35 (≠ K37), I39 (≠ D41), A96 (= A91), I97 (= I92), V98 (= V93), E99 (= E94), K104 (= K99), N124 (= N119), S126 (= S121), H147 (= H144), F148 (= F145), N150 (= N147), V242 (= V241), T246 (≠ L245), K282 (= K285)

Q16836 Hydroxyacyl-coenzyme A dehydrogenase, mitochondrial; HCDH; Medium and short-chain L-3-hydroxyacyl-coenzyme A dehydrogenase; Short-chain 3-hydroxyacyl-CoA dehydrogenase; EC 1.1.1.35 from Homo sapiens (Human) (see 7 papers)
33% identity, 37% coverage: 3:292/777 of query aligns to 27:312/314 of Q16836

query
sites
Q16836

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GGGLMG 34:39 (≠ GSGVMG 10:15) binding
A40 (≠ S16) to T: in HADH deficiency; dbSNP:rs137853101
D57 (= D33) binding ; to E: in HADH deficiency; dbSNP:rs137853102; to G: found in a patient with Reye-like syndrome. Does not affect 3-hydroxyacyl-CoA dehydrogenase activity. Increases KM value for NADH. Does not affect dimerization
S73 (≠ R52) binding
K80 (≠ A59) binding
L86 (≠ K65) to P: in dbSNP:rs4956145
E122 (= E94) binding
K127 (= K99) binding ; modified: N6-(2-hydroxyisobutyryl)lysine
S149 (= S121) binding ; binding
Q152 (≠ P124) to H: in dbSNP:rs1051519
N173 (= N147) binding
Y226 (≠ W201) to H: found in a patient with Reye-like syndrome; loss of 3-hydroxyacyl-CoA dehydrogenase activity. Does not affect dimerization; dbSNP:rs146036912
P258 (≠ V234) to L: in HHF4; loss of 3-hydroxyacyl-CoA dehydrogenase activity; dbSNP:rs137853103
K305 (= K285) binding

6aa8E Crystal structure of (s)-3-hydroxybutyryl-coenzymea dehydrogenase from clostridium acetobutylicum complexed with NAD+ (see paper)
31% identity, 38% coverage: 4:295/777 of query aligns to 1:281/281 of 6aa8E

query
sites
6aa8E

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active site: S116 (= S121), H137 (= H144), E149 (= E156), N187 (= N195)
binding nicotinamide-adenine-dinucleotide: I6 (= I9), G7 (= G10), G9 (= G12), T10 (≠ V13), M11 (= M14), R29 (≠ L32), D30 (= D33), I31 (= I34), F35 (≠ G39), R38 (= R42), A86 (= A91), A87 (≠ I92), E89 (= E94), K94 (= K99), I97 (≠ L102), N114 (= N119), T115 (= T120), S116 (= S121), H137 (= H144), N140 (= N147)

4kugA Crystal structure of 3-hydroxybutylryl-coa dehydrogenase with NAD from clostridium butyricum
29% identity, 38% coverage: 3:295/777 of query aligns to 1:282/282 of 4kugA

query
sites
4kugA

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active site: S117 (= S121), H138 (= H144), E150 (= E156), N188 (= N195)
binding nicotinamide-adenine-dinucleotide: L7 (≠ I9), G8 (= G10), G10 (= G12), T11 (≠ V13), M12 (= M14), R30 (≠ L32), D31 (= D33), I32 (= I34), A87 (= A91), A88 (≠ I92), I89 (≠ V93), E90 (= E94), K95 (= K99), I98 (≠ L102), N115 (= N119), T116 (= T120), S117 (= S121), H138 (= H144), F139 (= F145), N141 (= N147)

4kuhA Crystal structure of 3-hydroxybutylryl-coa dehydrogenase with acetoacetyl-coa from clostridium butyricum
29% identity, 37% coverage: 3:291/777 of query aligns to 1:278/280 of 4kuhA

query
sites
4kuhA

I

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R

R

I

I

G

L

V

I

Y

P

W

M

I

I

Q

N

T

E

A

A

-

T

-

F

-

I

-

L

-

Q

-

E

-

G

-

V

-

A

-

K

-

E

-

D

I

I

N

D

A

A

V

M

D

K

L

L

G

G

L

-

T

-

V

-

E

-

A

-

D

-

A

-

I

-

V

A

G

N

R

H

P
|
P

M
|
M

G

G

I

-

P

P

K

-

T

-

G

-

V

-

F

L

G

A

L

L

V

G

D

D

L

L

V
x
I

G

G

L

L

D

D

L

V

M

C

P

L

H

A

I

I

A

M

K

D

S

V

L

L

L

Y

A

-

T

-

L

-

P

-

E

-

N

N

D

E

P

T

Y

G

R

D

A

T

A

K

F

Y

R

R

E

A

H

S

P

S

V

L

I

L

T

R

R

K

M

Y

I

V

A

R

E

A

G

G

Y

W

T

L

G

G

R

R

K

K

G

T

K

G

G

K

G

G

F

F

Y

Y

active site: S117 (= S121), H138 (= H144), E150 (= E156), N188 (= N195)
binding acetoacetyl-coenzyme a: K50 (≠ R52), L51 (= L53), K54 (≠ T56), K56 (≠ P58), S117 (= S121), H138 (= H144), F140 (= F146), N141 (= N147), V145 (≠ Y151), N188 (= N195), P223 (= P226), M224 (= M227), I233 (≠ V241)

P9WNP7 3-hydroxybutyryl-CoA dehydrogenase; Beta-hydroxybutyryl-CoA dehydrogenase; BHBD; EC 1.1.1.157 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
32% identity, 37% coverage: 3:291/777 of query aligns to 5:284/286 of P9WNP7

query
sites
P9WNP7

I

I

K

Q

R

R

A

V

A

G

V

V

I

V

G

G

S

A

G

G

V

Q

M

M

G

G

S

S

G

G

I

I

A

A

A

E

H

V

F

S

A

A

N

R

A

A

G

G

I

V

P

E

V

V

V

T

L

V

L

F

D

E

I

-

P

P

A

A

K

E

E

-

G

-

D

-

R

-

S

-

A

A

I

L

A

I

K

T

G

A

A

G

V

R

Q

N

R

R

L

I

L

V

K

K

T

S

-

L

-

E

-

R

-

A

-

V

D

S

P

A

A

G

P

K

F

V

M

T

H

E

P

R

K

E

N

R

A

D

K

R

L

A

V

L

T

G

P

L

G

L

N

T

L

F

E

T

D

T

D

D

L

L

A

N

L

D

L

L

A

S

D

D

V

R

D

Q

W

L

I

V

V

I

E

E

A

A

I

V

V

V

E

E

N

D

P

E

A

A

V

V

K

K

A

S

D

E

L

I

Y

F

R

A

R

E

I

L

D

D

P

R

V

V

-

V

R

T

K

D

A

P

G

D

S

A

V

V

V

L

S

A

S

S

N

N

T

T

S
|
S

T

S

I

I

P

P

L

I

G

M

V

K

L

V

V

A

E

A

G

A

Q

T

S

K

D

Q

A

P

F

Q

R

R

R

-

D

-

F

V

L

L

I

G

T

L

H

H

F

F

N

N

P

P

P

V

R

P

Y

V

M

L

R

P

L

L

L

V

E

E

I

L

V

V

G

R

G

T

E

L

A

V

T

T

R

D

P

E

D

A

A

A

L

A

A

A

A

R

V

T

A

E

D

E

V

F

C

A

D

S

R

T

A

V

L

L

G

G

K

K

G

Q

V

V

R

R

C

C

K

S

D

D

T

R

P

S

G

G

F

F

I

V

A

V

N

N

R

A

I

L

G

L

V

V

Y

P

W

Y

I

L

Q

L

T

S

A

A

I

I

N

R

A

-

A

M

V

V

D

E

L

A

G

G

L

F

-

A

T

T

V

V

E

E

E

D

A

V

D

D

A

K

I

A

V

V

G

V

R

A

P

G

M

L

G

S

I

H

P

P

K

-

T

M

G

G

V

P

F

L

G

R

L

L

V

S

D

D

L

L

V

V

G

G

L

L

D

D

L

T

M

L

P

K

H

L

I

I

A

A

K

D

S

K

L

M

L

F

A

E

T

E

L

F

P

K

E

E

N

-

D

-

P

P

Y

H

R

-

A

-

F

Y

R

G

E

P

H

P

P

P

V

L

I

L

T

L

R

R

M

M

I

V

A

E

E

A

G

G

Y

Q

T

L

G

G

R

K

K

K

G

S

K

G

G

R

G

G

F

F

Y

Y

S122 (= S121) mutation to A: Loss of fatty acyl dehydrogenase activity.

7o4uA Structure of the alpha subunit of mycobacterium tuberculosis beta- oxidation trifunctional enzyme in complex with oxidized nicotinamide adenine dinucleotide (see paper)
33% identity, 37% coverage: 3:292/777 of query aligns to 316:597/711 of 7o4uA

query
sites
7o4uA

I

I

K

K

R

R

A

I

A

G

V

V

I

L

G
|
G

S
x
A

G
|
G

V
x
M

M
|
M

G

G

S

A

G

G

I

I

A

A

A

Y

H

V

F

S

A

A

N

K

A

A

G

G

I

Y

P

E

V

V

L

L

L
x
K

D
|
D

I
x
V

P

S

A

L

K

-

E

-

G

-

D

-

D

E

R

A

S

A

A

A

I

K

A

G

K

K

G

G

A

Y

V

S

Q

E

R

K

L

L

L

E

K

A

T

K

-

A

-

L

D

E

P

R

A

G

P

R

F

T

M

T

H

Q

P

E

K

R

N

S

A

D

K

A

L

L

V

L

T

A

P

R

G

I

N

T

L

P

E

T

D

A

D

D

L

A

A

A

L

D

L

F

A

K

D

G

V

V

D

D

W

F

I

V

V

I

E

E

A
|
A

I
x
V

V
x
F

E
|
E

N

N

P

Q

A

E

V

L

K

K

A

H

D

K

L

V

Y

F

R

G

R

E

I

I

D

E

P

D

V

I

R

V

K

E

A

P

G

N

S

A

V

I

V

L

S

G

S

S

N
|
N

T

T

S
|
S

T

T

I

L

P

P

L

I

G

T

V

G

L

L

V

A

E

T

G

G

Q

V

S

K

D

R

A

-

F

-

R

Q

R

E

D

D

F

F

L

I

I

G

T

I

H
|
H

F

F

N
x
S

P

P

P

V

R

D

Y

K

M

M

R

P

L

L

L

V

E

E

I

I

V

I

G

K

G

G

E

E

A

K

T

T

R

S

P

D

D

E

A

A

L

L

A

A

A

R

V

V

A

F

D

D

V

Y

C

T

D

-

R

L

A

A

L

I

G

G

K

K

G

T

V

P

V

I

R

V

C

V

K

N

D

D

T

S

P

R

G

G

F

F

I

F

A

T

N

S

R

R

I

V

G

-

V

-

Y

-

W

-

I

I

Q

G

T

T

A

F

I

V

N

N

A

E

A

A

V

L

D

A

-

M

L

L

G

G

L

E

T

G

V

V

E

E

E

P

A

A

D

S

-

I

A

E

I

Q

V

A

G

G

R

S

P

Q

M

A

G

G

I

Y

P

P

K

A

T

P

G

-

V

P

F

L

G

Q

L

L

V

S

D

D

L

E

V

L

G

N

L

L

D

E

L

L

M

M

P

H

H

K

I

I

A

A

K

-

S

-

L

-

L

V

A

A

T

T

L

R

P

K

E

G

N

V

D

E

P

D

Y

A

R

G

A

G

A

T

F

Y

R

Q

E

P

H

H

P

P

-

A

-

E

-

A

V

V

I

V

T

E

R

K

M

M

I

I

A

E

E

L

G

G

Y

R

T

S

G

G

R

R

K

L

G

K

K

G

G

A

G

G

F

F

Y

Y

R

E

binding nicotinamide-adenine-dinucleotide: G323 (= G10), A324 (≠ S11), G325 (= G12), M326 (≠ V13), M327 (= M14), K345 (≠ L32), D346 (= D33), V347 (≠ I34), A402 (= A91), V403 (≠ I92), F404 (≠ V93), E405 (= E94), N430 (= N119), S432 (= S121), H453 (= H144), S456 (≠ N147)

4b3iA Crystal structure of mycobacterium tuberculosis fatty acid beta-oxidation complex with coenzymea bound at the hydratase active sites (see paper)
33% identity, 37% coverage: 3:292/777 of query aligns to 336:617/731 of 4b3iA

query
sites
4b3iA

I

I

K

K

R

R

A

I

A

G

V

V

I

L

G

G

S

A

G

G

V

M

M

M

G

G

S

A

G

G

I

I

A

A

A

Y

H

V

F

S

A

A

N

K

A

A

G

G

I

Y

P

E

V

V

L

L

L

K

D

D

I

V

P

S

A

L

K

-

E

-

G

-

D

-

D

E

R

A

S

A

A

A

I

K

A

G

K

K

G

G

A

Y

V

S

Q

E

R

K

L

L

L

E

K

A

T

K

-

A

-

L

D

E

P

R

A

G

P

R

F

T

M

T

H

Q

P

E

K

R

N

S

A

D

K

A

L

L

V

L

T

A

P

R

G

I

N

T

L

P

E

T

D

A

D

D

L

A

A

A

L

D

L

F

A

K

D

G

V

V

D

D

W

F

I

V

V

I

E

E

A

A

I

V

V

F

E

E

N

N

P

Q

A

E

V

L

K

K

A

H

D

K

L

V

Y

F

R

G

R

E

I

I

D

E

P

D

V

I

R

V

K

E

A

P

G

N

S

A

V

I

V

L

S

G

S

S

N

N

T

T

S
|
S

T

T

I

L

P

P

L

I

G

T

V

G

L

L

V

A

E

T

G

G

Q

V

S

K

D

R

A

-

F

-

R

Q

R

E

D

D

F

F

L

I

I

G

T

I

H
|
H

F

F

N

S

P

P

P

V

R

D

Y

K

M

M

R

P

L

L

L

V

E
|
E

I

I

V

I

G

K

G

G

E

E

A

K

T

T

R

S

P

D

D

E

A

A

L

L

A

A

A

R

V

V

A

F

D

D

V

Y

C

T

D

-

R

L

A

A

L

I

G

G

K

K

G

T

V

P

V

I

R

V

C

V

K

N

D

D

T

S

P

R

G

G

F

F

I

F

A

T

N
x
S

R

R

I

V

G

-

V

-

Y

-

W

-

I

I

Q

G

T

T

A

F

I

V

N

N

A

E

A

A

V

L

D

A

-

M

L

L

G

G

L

E

T

G

V

V

E

E

E

P

A

A

D

S

-

I

A

E

I

Q

V

A

G

G

R

S

P

Q

M

A

G

G

I

Y

P

P

K

A

T

P

G

-

V

P

F

L

G

Q

L

L

V

S

D

D

L

E

V

L

G

N

L

L

D

E

L

L

M

M

P

H

H

K

I

I

A

A

K

-

S

-

L

-

L

V

A

A

T

T

L

R

P

K

E

G

N

V

D

E

P

D

Y

A

R

G

A

G

A

T

F

Y

R

Q

E

P

H

H

P

P

-

A

-

E

-

A

V

V

I

V

T

E

R

K

M

M

I

I

A

E

E

L

G

G

Y

R

T

S

G

G

R

R

K

L

G

K

K

G

G

A

G

G

F

F

Y

Y

R

E

active site: S452 (= S121), H473 (= H144), E485 (= E156), S523 (≠ N195)

Sites not aligning to the query:

active site: 79, 100, 104, 127, 130, 151, 152, 160
binding adenosine-5'-diphosphate: 640, 641, 642, 643, 644
binding coenzyme a: 37, 38, 40, 77, 79, 80, 81, 82, 125, 151, 152, 186, 315, 319

4pzeA Crystal structure of (s)-3-hydroxybutyryl-coa dehydrogenase paah1 in complex with acetoacetyl-coa (see paper)
31% identity, 38% coverage: 2:295/777 of query aligns to 1:283/283 of 4pzeA

query
sites
4pzeA

Q

S

I

I

K

R

R

T

A

V

A

G

V

I

I

V

G

G

S

A

G

G

V

T

M

M

G

G

S

N

G

G

I

I

A

A

A

Q

H

A

F

C

A

A

N

V

A

V

G

G

I

L

P

N

V

V

L

M

L

V

D

D

I

I

P

S

A

D

K

A

E

A

G

V

D

Q

D

K

R

G

S

V

A

A

I

T

A

V

K

A

G

S

A

S

V

L

Q

D

R

R

L

L

L

I

K

K

T

K

D

E

P

K

A

L

P

T

F

E

M

A

H

D

P

K

K

A

N

S

A

A

K

L

L

A

V

R

T

I

P

K

G

G

N

S

L

T

E

S

-

Y

D

D

L

-

A

-

L

-

L

L

A

K

D

A

V

T

D

D

W

I

I

V

V

I

E

E

A

A

I

A

V

T

E

E

N

N

P

Y

A

D

V

L

K

K

A

V

D

K

L

I

Y

L

R

K

R

Q

I

I

D

D

P

G

V

I

R

V

K

G

A

E

G

N

S

V

V

I

S

A

S

S

N

N

T

T

S
|
S

T

S

I

I

P

S

L

I

G

T

V

K

L

L

V

A

E

A

G

V

Q

T

S

S

D

R

A

A

F

D

R

R

R

-

D

-

F

F

L

I

I

G

T

M

H
|
H

F

F

F
|
F

N

N

P

P

P

V

R

P

Y

V

M

M

R

A

L

L

L

V

E
|
E

I

L

V

I

G

R

G

G

E

L

A

Q

T

T

R

S

P

D

D

T

A

T

L

H

A

A

V

V

A

-

D

E

V

A

C

L

D

S

R

K

A

Q

L

L

G

G

K

K

G

Y

V

P

V

I

R

T

C

V

K

K

D

N

T

S

P

P

G

G

F

F

I

V

A

V

N
|
N

R

R

I

I

G

L

V

C

Y

P

W

M

I

I

Q

N

T

E

A

A

I

F

N

C

A

V

A

L

V

G

D

E

L

G

G

L

L

A

T

S

V

P

E

E

A

I

D

D

A

E

I

-

V

-

G

G

R

M

P

K

M

L

G

G

I

C

P

N

K

H

-
x
P

T
x
I

G

G

V

P

F

L

G

A

L
|
L

V

A

D

D

L

M

V
x
I

G

G

L

L

D

D

L
x
T

M

M

P

L

H

A

I

V

A

M

K

E

S

V

L

L

L

Y

A

T

T

E

L

F

P

A

E

-

N

-

D

D

P

P

Y

-

R

-

A

-

A

K

F

Y

R

R

E

P

H

A

P

M

V

L

I

M

T

R

R

E

M

M

I

V

A

A

E

A

G

G

Y

Y

T

L

G

G

R

R

K

K

G

T

K

G

G

R

G

G

F

V

Y

Y

R

V

L

Y

N

S

R

K

active site: S118 (= S121), H139 (= H144), E151 (= E156), N189 (= N195)
binding acetoacetyl-coenzyme a: S118 (= S121), F141 (= F146), N189 (= N195), P224 (vs. gap), I225 (≠ T232), L230 (= L237), I234 (≠ V241), T238 (≠ L245)

4pzdA Crystal structure of (s)-3-hydroxybutyryl-coa dehydrogenase paah1 in complex with NAD+ (see paper)
31% identity, 38% coverage: 2:295/777 of query aligns to 1:283/283 of 4pzdA

query
sites
4pzdA

Q

S

I

I

K

R

R

T

A

V

A

G

V

I

I
x
V

G
|
G

S
x
A

G
|
G

V
x
T

M
|
M

G

G

S

N

G

G

I

I

A

A

A

Q

H

A

F

C

A

A

N

V

A

V

G

G

I

L

P

N

V

V

L

M

L

V

D
|
D

I
|
I

P

S

A

D

K

A

E
x
A

G

V

D

Q

D

K

R

G

S

V

A

A

I

T

A

V

K

A

G

S

A

S

V

L

Q

D

R

R

L

L

L

I

K

K

T

K

D

E

P

K

A

L

P

T

F

E

M

A

H

D

P

K

K

A

N

S

A

A

K

L

L

A

V

R

T

I

P

K

G

G

N

S

L

T

E

S

-

Y

D

D

L

-

A

-

L

-

L

L

A

K

D

A

V

T

D

D

W

I

I

V

V

I

E

E

A
|
A

I
x
A

V
x
T

E
|
E

N

N

P

Y

A

D

V

L

K

K

A

V

D

K

L
x
I

Y

L

R

K

R

Q

I

I

D

D

P

G

V

I

R

V

K

G

A

E

G

N

S

V

V

I

S

A

S

S

N
|
N

T

T

S
|
S

T

S

I

I

P

S

L

I

G

T

V

K

L

L

V

A

E

A

G

V

Q

T

S

S

D

R

A

A

F

D

R

R

R

-

D

-

F

F

L

I

I

G

T

M

H
|
H

F

F

N
|
N

P

P

P

V

R

P

Y

V

M

M

R

A

L

L

L

V

E
|
E

I

L

V

I

G

R

G

G

E

L

A

Q

T

T

R

S

P

D

D

T

A

T

L

H

A

A

V

V

A

-

D

E

V

A

C

L

D

S

R

K

A

Q

L

L

G

G

K

K

G

Y

V

P

V

I

R

T

C

V

K

K

D

N

T

S

P

P

G

G

F

F

I

V

A

V

N
|
N

R

R

I

I

G

L

V

C

Y

P

W

M

I

I

Q

N

T

E

A

A

I

F

N

C

A

V

A

L

V

G

D

E

L

G

G

L

L

A

T

S

V

P

E

E

A

I

D

D

A

E

I

-

V

-

G

G

R

M

P

K

M

L

G

G

I

C

P

N

K

H

-

P

T

I

G

G

V

P

F

L

G

A

L

L

V

A

D

D

L

M

V

I

G

G

L

L

D

D

L

T

M

M

P

L

H

A

I

V

A

M

K

E

S

V

L

L

L

Y

A

T

T

E

L

F

P

A

E

-

N

-

D

D

P

P

Y

-

R

-

A

-

A

K

F

Y

R

R

E

P

H

A

P

M

V

L

I

M

T

R

R

E

M

M

I

V

A

A

E

A

G

G

Y

Y

T

L

G

G

R

R

K

K

G

T

K

G

G

R

G

G

F

V

Y

Y

R

V

L

Y

N

S

R

K

active site: S118 (= S121), H139 (= H144), E151 (= E156), N189 (= N195)
binding nicotinamide-adenine-dinucleotide: V8 (≠ I9), G9 (= G10), A10 (≠ S11), G11 (= G12), T12 (≠ V13), M13 (= M14), D32 (= D33), I33 (= I34), A37 (≠ E38), A88 (= A91), A89 (≠ I92), T90 (≠ V93), E91 (= E94), I99 (≠ L102), N116 (= N119), S118 (= S121), H139 (= H144), N142 (= N147)

6iunB Crystal structure of enoyl-coa hydratase (ech) from ralstonia eutropha h16 in complex with NAD
33% identity, 33% coverage: 2:259/777 of query aligns to 290:539/692 of 6iunB

query
sites
6iunB

Q

K

I

I

K

E

R

K

A

V

A

A

V

V

I
|
I

G
|
G

S

A

G
|
G

V
x
T

M
|
M

G

G

S

G

G

G

I

I

A

S

A

M

H

N

F

F

A

L

N

N

A

A

G

G

I

I

P

P

V

V

V

T

L

I

L

L

D
x
E

I
x
T

P

K

A

-

K

Q

E

E

G

A

D

L

D

D

R

R

S

G

A

V

I

-

A

-

K

-

G

G

A

I

V

I

Q

R

R

K

L

N

L

Y

K

E

T

N

D

S

P

A

A

-

P

-

F

-

M

-

H

-

P

-

K

K

N

K

A

G

K

K

L

L

V

-

T

T

P

Q

G

E

N

K

L

V

E

E

D

Q

D

R

L

M

A

G

L

L

A

S

-

T

-

L

-

S

-
x
Y

-

D

-

L

-

K

D

D

V

A

D

D

W

L

I

I

V

I

E

E

A
|
A

I
x
V

V
x
F

E
|
E

N

E

P

M

A

G

V
|
V

K

K

A

E

D

T

L
x
V

Y

F

R

K

I

L

D

D

P

E

V

V

R

A

K

K

A

Q

G

G

S

A

V

I

V

L

S

A

S

S

N
|
N

T
|
T

S
|
S

T
|
T

I

L

P

D

L

V

G

N

V

K

L

I

V

A

E

S

G

F

Q

T

S

K

D

R

A

P

F

-

R

-

R

Q

D

D

F

V

L

V

I

G

T

M

H
|
H

F

F

N

S

P

P

P

A

R

N

Y

V

M

M

R

K

L

L

E
|
E

I

V

V

V

G

R

G

G

E

E

A

K

T

T

R

G

P

K

D

D

A

V

L

L

A

A

A

T

V

V

A

M

D

Q

V

V

C

G

D

K

R

K

A

-

L

I

G

K

K

K

G

T

V

A

V

V

R

V

C

S

K

G

D

V

T

C

P

D

G

G

F

F

I

I

A

G

N
|
N

R

R

I

M

G

I

V

E

Y

Q

W

Y

I

S

Q

R

T

Q

A

A

I

-

N

G

A

Y

A

L

V

L

D

D

L

E

G

G

L

A

T

L

V

P

E

E

E

Q

A

V

D

D

A

K

I

A

V

I

G

E

R

K

P

-

M

F

G

G

I

F

P

A

K

-

T

M

G

G

V

P

F

F

G

R

L

M

V

G

D

D

L

L

V

A

G

G

L

N

D

D

L

I

M

G

P

W

H

A

I

I

A

R

K

K

S

R

L

R

L

A

A

V

T

D

L

K

P

P

E

E

active site: S407 (= S121), H428 (= H144), E440 (= E156), N478 (= N195)
binding nicotinamide-adenine-dinucleotide: I297 (= I9), G298 (= G10), G300 (= G12), T301 (≠ V13), M302 (= M14), E321 (≠ D33), T322 (≠ I34), Y365 (vs. gap), A377 (= A91), V378 (≠ I92), F379 (≠ V93), E380 (= E94), V384 (= V98), V388 (≠ L102), N405 (= N119), T406 (= T120), S407 (= S121), T408 (= T122)

Sites not aligning to the query:

active site: 60, 65, 73, 77, 101, 104, 124, 132, 248

6tnmA E. Coli aerobic trifunctional enzyme subunit-alpha (see paper)
28% identity, 51% coverage: 4:401/777 of query aligns to 314:689/719 of 6tnmA

query
sites
6tnmA

K

K

R

Q

A

A

V

V

I

L

G

G

S

A

G

G

V

I

M

M

G

G

S

G

G

G

I

I

A

A

A

Y

H

Q

F

S

A

A

N

W

A

K

G

G

I

V

P

P

V

V

L

M

L

K

D
|
D

I
|
I

P

-

A

-

K

-

E

-

G

N

D

D

D

K

R

S

S

L

A

T

I

L

A

G

K

M

G

T

A

E

V

A

Q

A

R

K

L

L

-

N

-

K

K

Q

T

L

D

E

P

R

A

G

P

K

F

I

M

D

H

G

P

L

K

K

N

L

A

A

K

G

L

V

V

I

T

S

P

T

G

I

N

H

L

P

E

T

D

L

D

D

L

Y

A

A

L

G

L

F

A

D

D

R

V

V

D

D

W

I

I

V

V

V

E

E

A

A

I
x
V

V
|
V

E

E

N

N

P

P

A

K

V
|
V

K

K

A

K

D

A

L

V

Y

L

R

A

R

E

I

T

D

E

P

Q

V

K

R

V

K

R

A

Q

G

D

S

T

V

V

V

L

S

A

S

S

N

N

T

T

S
|
S

T

T

I

I