SitesBLAST

P97852 Peroxisomal multifunctional enzyme type 2; MFE-2; 17-beta-hydroxysteroid dehydrogenase 4; 17-beta-HSD 4; D-bifunctional protein; DBP; Multifunctional protein 2; MFP-2; EC 1.1.1.n12; EC 4.2.1.107; EC 4.2.1.119 from Rattus norvegicus (Rat) (see paper)
49% identity, 91% coverage: 2:276/301 of query aligns to 3:277/735 of P97852

query
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16:40 (vs. 15:39, 76% identical) binding

P96825 Putative short-chain type dehydrogenase/reductase Rv0148; EC 1.1.1.- from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
48% identity, 91% coverage: 9:282/301 of query aligns to 7:280/286 of P96825

query
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P96825

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K280 (= K282) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

1zbqA Crystal structure of human 17-beta-hydroxysteroid dehydrogenase type 4 in complex with NAD
46% identity, 91% coverage: 4:276/301 of query aligns to 3:275/302 of 1zbqA

query
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1zbqA

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active site: S149 (= S153), Y162 (= Y166), K166 (= K170)
binding nicotinamide-adenine-dinucleotide: G14 (= G15), G16 (= G17), A17 (≠ G18), G18 (= G19), L19 (= L20), N37 (= N38), D38 (= D39), L39 (= L40), G41 (= G42), D72 (≠ S73), S73 (= S74), V74 (= V75), N97 (= N101), A98 (= A102), G99 (= G103), I100 (= I104), V120 (= V124), H121 (= H125), T147 (= T151), S148 (≠ T152), S149 (= S153), Y162 (= Y166), K166 (= K170), P192 (= P196), N193 (≠ V197), A194 (= A198), S196 (≠ T200), R197 (= R201), M198 (= M202)

P51659 Peroxisomal multifunctional enzyme type 2; MFE-2; 17-beta-hydroxysteroid dehydrogenase 4; 17-beta-HSD 4; D-bifunctional protein; DBP; Multifunctional protein 2; MFP-2; Short chain dehydrogenase/reductase family 8C member 1; EC 1.1.1.n12; EC 4.2.1.107; EC 4.2.1.119 from Homo sapiens (Human) (see 5 papers)
45% identity, 91% coverage: 2:276/301 of query aligns to 3:277/736 of P51659

query
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P51659

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G16 (= G15) to S: in DBPD; no dehydrogenase activity; dbSNP:rs137853096
R106 (≠ K108) to H: in dbSNP:rs25640

Sites not aligning to the query:

347 Y→A: No hydratase activity.
366 E→A: No hydratase activity.
370 D→A: No effect.
406 H→A: No effect.
408 E→A: No effect.
410 Y→A: No effect.
457 N → Y: in DBPD; the mutation leads to an unstable protein; dbSNP:rs137853097
490 D→A: No effect.
505 Y→A: Completely inactive.
510 D→A: No hydratase activity.
511 W → R: in dbSNP:rs11539471
515 H→A: Completely inactive.
517 D→A: No effect.
532 H→A: No effect.
559 I → V: in dbSNP:rs11205

P22414 Peroxisomal hydratase-dehydrogenase-epimerase; HDE; Multifunctional beta-oxidation protein; MFP; EC 4.2.1.119; EC 1.1.1.n12 from Candida tropicalis (Yeast) (see paper)
46% identity, 94% coverage: 1:282/301 of query aligns to 1:281/906 of P22414

query
sites
P22414

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R

T

I

V

D

H

I

V

L

I

I

I

A

N

N

N

A

A

G

G

I

I

L

L

R

R

D

D

K

A

T

S

L

M

T

K

K

K

M

M

E

T

L

E

A

K

D

D

F

Y

E

K

L

L

V

V

M

I

Q

D

V

V

H

H

V

L

F

N

G

G

T

A

F

F

K

A

P

V

I

T

K

K

A

A

V

A

W

W

D

P

I

Y

M

F

K

Q

A

K

Q

Q

N

K

Y

Y

G

G

R

R

I

I

V

V

V

N

T

T

T

S

S

S

S

P

S

A

G

G

M

L

Y

Y

G

G

N

N

F

F

G

G

Q

Q

S

A

N

N

Y

Y

G

A

A

S

A

A

K

K

M

S

A

A

V

L

L

L

G

G

L

F

M

A

N

E

T

T

L

L

K

A

L

K

E

E

G

G

A

A

K

K

N

Y

D

N

V

I

K

K

I

A

N

N

A

A

I

I

S

A

P

P

V

L

A

A

A

R

T

S

R

R

M

M

T

T

E

E

G

S

L

I

M

L

P

P

E

P

V

M

L

L

A

E

K

K

L

L

A

G

P

P

E

E

Y

K

V

V

T

A

P

P

G

L

V

V

V

L

Y

Y

L

L

C

S

S

S

D

A

E

E

A

N

P

E

-

L

T

T

G

G

A

Q

I

F

L

F

T

E

A

V

G

A

A

A

G

G

A

F

F

Y

A

A

L

Q

S

I

R

R

I

W

Y

E

E

R

T

S

E

G

G

G

V

V

-

L

Y

F

L

K

G

P

E

D

G

Q

G

S

L

F

S

T

A

A

E

E

E

V

V

V

R

A

D

K

S

R

W

F

G

S

Q

E

I

I

T

L

A

D

E

Y

D

D

G

D

Q

S

K

R

Sites not aligning to the query:

454 binding

1gz6B (3r)-hydroxyacyl-coa dehydrogenase fragment of rat peroxisomal multifunctional enzyme type 2 (see paper)
47% identity, 91% coverage: 4:276/301 of query aligns to 3:252/278 of 1gz6B

query
sites
1gz6B

I

L

R

R

F

F

D

D

G

G

K

R

V

V

A

V

I

L

V

V

T

T

G
|
G

A

A

G

G

G
|
G

L
|
L

G

G

R

R

Q

A

H

Y

A

A

L

L

E

A

L

F

A

A

R

E

R

R

G

G

A

A

K

L

V

V

N
|
N

D
|
D

L
|
L

G

G

S

S

M

-

D

-

G

-

S

-

G

-

S

-

E

S

A

A

Q

D

K

K

V

V

D

E

E

E

I

I

K

R

A

R

L

R

G

G

E

K

A

A

I

V

A

A

N

N

G

Y

S
x
D

S
|
S

V
|
V

T

-

D

-

D

E

A

A

G

G

V

E

A

K

L

L

M

-

I

V

K

K

Q

T

A

A

M

L

D

D

T

T

W

F

G

G

R

R

I

I

D

D

I

V

L

V

I

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

L

L

R

R

D

D

K

R

T

S

L

F

T

S

K

R

M

I

E

S

L

D

A

E

D

D

F

W

E

D

L

I

V

I

M

Q

Q

R

V
|
V

H
|
H

V

L

F

R

G

G

T

S

F

F

K

Q

P

V

I

T

K

R

A

A

V

A

W

W

D

D

I

H

M

M

K

K

A

K

Q

Q

N

N

Y

Y

G

G

R

R

I

I

V

I

V

M

T
|
T

T

A

S
|
S

S

A

S

S

G

G

M

I

Y

Y

G

G

N

N

F

F

G

G

Q

Q

S

A

N

N

Y
|
Y

G

S

A

A

K
|
K

M

L

A

G

V

L

L

L

G

G

L

L

M

A

N

N

T

T

L

L

K

V

L

I

E

E

G

G

A

R

K

K

N

N

D

N

V

I

K

H

I

C

N

N

A

T

I

I

S

A

P
|
P

V
x
N

A

E

A

A

T

-

R

-

M

-

T

-

E

-

G

-

L

-

M

-

P

-

E

-

V

-

L

-

A

-

K

-

L

L

A

K

P

P

E

E

Y

Y

V

V

T

A

P

P

G

L

V

V

V

L

Y

W

L

L

C

C

S

H

D

E

E

S

A

C

-

E

P

E

T

N

G

G

A

G

I

L

L

F

T

E

A

V

G

G

A

A

G

G

A

W

F

I

A

G

L

K

S

L

R

R

I

W

Y

E

E

R

T

T

E

L

G

G

V

A

Y

I

L

V

G

R

E

K

G

R

G

N

-

Q

-

P

L

M

S

T

A

P

E

E

E

A

V

V

R

R

D

D

S

N

W

W

G

V

Q

K

I

I

T

C

active site: S141 (= S153), Y154 (= Y166), K158 (= K170)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G15), G17 (= G18), G18 (= G19), L19 (= L20), N37 (= N38), D38 (= D39), L39 (= L40), D64 (≠ S73), S65 (= S74), V66 (= V75), N89 (= N101), A90 (= A102), G91 (= G103), I92 (= I104), V112 (= V124), H113 (= H125), T139 (= T151), S141 (= S153), Y154 (= Y166), K158 (= K170), P184 (= P196), N185 (≠ V197)

P73574 3-oxoacyl-[acyl-carrier-protein] reductase; 3-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
41% identity, 78% coverage: 6:239/301 of query aligns to 4:234/247 of P73574

query
sites
P73574

F

L

D

T

G

A

K

Q

V

V

A

A

I

L

V

V

T

T

G

G

A
|
A

G

S

G

R

G

G

L

I

G

G

R

K

Q

A

H

T

A

A

L

L

E

A

L

L

A

A

R

A

R

T

G

G

A

M

K

K

V

V

N

N

D

-

L

-

G

-

S

-

M

-

D

-

G

-

S

Y

G

A

G

Q

S

S

E

T

A

A

Q

D

K

A

V

V

D

A

E

E

I

I

K

I

A

A

L

N

G

G

E

E

A

A

I

I

A

A

N

V

G

Q

S

A

S

N

V

V

T

A

D

N

D

A

A

D

G

E

V

V

A

D

L

Q

M

L

I

I

K

K

Q

T

A

T

M

L

D

D

T

K

W

F

G

S

R

R

I

I

D

D

I

V

L

L

I

V

A

N

N

N

A

A

G

G

I

I

L

T

R

R

D

D

K

T

T

L

L

L

T

L

K

R

M

M

E

K

L

L

A

E

D

D

F

W

E

Q

L

A

V

V

M

I

Q

D

V

L

H

N

V

L

F

T

G

G

T

V

F

F

K

L

P

C

I

T

K

K

A

A

V

V

W

S

D

K

I

L

M

M

K

L

A

K

Q

Q

N

K

Y

S

G

G

R

R

I

I

V

I

V

N

T

I

T

T

S

S

S

V

S

A

G

G

M

M

Y

M

G

G

N

N

F
x
P

G

G

Q

Q

S

A

N

N

Y

Y

G

S

A

A

K
|
K

M

A

A

G

V

V

L

I

G

G

L

F

M

T

N

K

T

T

L

V

K

A

L

K

E

E

G

L

A

A

K

S

N

R

D

G

V

V

K

T

I

V

N

N

A

A

I

V

S

A

P

P

-

G

V
x
F

A

I

A

A

T

T

R

D

M

M

T

T

E

E

G

N

L

L

M
x
N

P

A

P

E

E

P

V

I

L

L

A

Q

K

F

L

I

A

P

-

L

-

A

-

R

-

Y

-

G

-

Q

P

P

E

E

Y

E

V

V

T

A

P

G

G

T

V

I

V

R

Y

F

L

L

C

A

S

T

D

D

E

-

A

-

P

P

T

A

G

A

A

A

I

Y

L

I

T

T

A14 (= A16) mutation to G: 4.2-fold increase in activity on acetoacetyl-CoA.
P151 (≠ F161) mutation to F: 2.7-fold increase in activity on acetoacetyl-CoA.; mutation to V: 5.7-fold increase in activity on acetoacetyl-CoA.
K160 (= K170) mutation to A: Almost no activity on acetoacetyl-CoA.
F188 (≠ V197) mutation to Y: 3.3-fold increase in activity on acetoacetyl-CoA.
N198 (≠ M207) mutation to R: 3.5-fold increase in activity on acetoacetyl-CoA.

1edoA The x-ray structure of beta-keto acyl carrier protein reductase from brassica napus complexed with NADP+ (see paper)
37% identity, 68% coverage: 10:215/301 of query aligns to 3:192/244 of 1edoA

query
sites
1edoA

V

V

A

V

I

V

V

V

T

T

G
|
G

A

A

G
x
S

G
x
R

G
|
G

L
x
I

G

G

R

K

Q

A

H

I

A

A

L

L

E

S

L

L

A

G

R

K

R

A

G

G

A

C

K

K

V

V

V

L

V

V

N
|
N

D

-

L

-

G

-

S

-

M

-

D

-

G

-

S
x
Y

G
x
A

G
x
R

S
|
S

S

A

E

K

A

A

Q

E

K

E

V

V

V

S

D

K

E

Q

I

I

K

E

A

A

L

Y

G

G

E

Q

A

A

I

I

A

T

N

F

G

G

S
x
G

S
x
D

V
|
V

T

S

D

K

D

E

A

A

G

D

V

V

A

E

L

A

M

M

I

M

K

K

Q

T

A

A

M

I

D

D

T

A

W

W

G

G

R

T

I

I

D

D

I

V

L

V

I

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

L

T

R

R

D

D

K

T

T

L

L

L

T

I

K

R

M

M

E

K

L

K

A

S

D

Q

F

W

E

D

L

E

V

V

M

I

Q

D

V
x
L

H

N

V

L

F

T

G

G

T

V

F

F

K

L

P

C

I

T

K

Q

A

A

V

A

W

T

D

K

I

I

M

M

K

M

A

K

Q

K

N

R

Y

K

G

G

R

R

I

I

V

I

V

N

T
x
I

T
x
A

S
|
S

S

V

G

G

M

L

Y

I

G

G

N

N

F

I

G

G

Q

Q

S

A

N

N

Y
|
Y

G

A

A

A

K
|
K

M

A

A

G

V

V

L

I

G

G

L

F

M

S

N

K

T

T

L

A

K

A

L

R

E

E

G

G

A

A

K

S

N

R

D

N

V

I

K

N

I

V

N

N

A

V

I

V

S

C

P
|
P

V

-

A

-

T

-

R

-

M

-

T

-

E

-

G
|
G

L
x
F

M
x
I

P

A

P
x
S

E
x
D

V
x
M

L

T

A

A

K

K

L

L

active site: G12 (= G19), S138 (= S153), Y151 (= Y166), K155 (= K170)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G15), S10 (≠ G17), R11 (≠ G18), G12 (= G19), I13 (≠ L20), N31 (= N38), Y32 (≠ S47), A33 (≠ G48), R34 (≠ G49), S35 (= S50), G58 (≠ S73), D59 (≠ S74), V60 (= V75), N86 (= N101), A87 (= A102), G88 (= G103), I89 (= I104), L109 (≠ V124), I136 (≠ T151), A137 (≠ T152), S138 (= S153), Y151 (= Y166), K155 (= K170), P181 (= P196), G182 (= G205), F183 (≠ L206), I184 (≠ M207), S186 (≠ P209), D187 (≠ E210), M188 (≠ V211)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
33% identity, 76% coverage: 5:232/301 of query aligns to 4:228/244 of 4nbuB

query
sites
4nbuB

R

R

F

L

D

Q

G

D

K

K

V

V

A

A

I

I

V

I

T

T

G
|
G

A

A

G
x
A

G
x
N

G
|
G

L
x
I

G

G

R

L

Q

E

H

A

A

A

L

R

E

V

L

F

A

M

R

K

R

E

G

G

A

A

K

K

V

V

V

I

N

A

D
|
D

L
x
F

G
x
N

G

-

S

-

M

-

D

E

G

A

S

A

G

G

G

K

S

E

S

A

E

V

A

E

A

A

Q

N

K

P

V

G

V

V

D

V

E

F

I

I

K

R

A
x
V

L

-

G

-

E

-

A

-

I

-

A

-

N

-

G

-

S

-

S
x
D

V
|
V

T

S

D

D

D

R

A

E

G

S

V

V

A

H

L

R

M

L

I

V

K

E

Q

N

A

V

M

A

D

E

T

R

W

F

G

G

R

K

I

I

D

D

I

I

L

L

I

I

A

N

N
|
N

A
|
A

G
|
G

I
|
I

L
x
T

R

R

D
|
D

K

S

T

M

L

L

T

S

K
|
K

M

M

E

T

L

V

A

D

D

Q

F

F

E

Q

L

Q

V

V

M

I

Q

N

V
|
V

H
x
N

V

L

F

T

G

G

T

V

F

F

K

H

P

C

I

T

K

Q

A

A

V

V

W

L

D

P

I

Y

M

M

K

A

A

E

Q

Q

N

G

Y

K

G

G

R

K

I

I

V

I

V

N

T
|
T

T
x
S

S
|
S

S

V

S
x
T

G

G

M

T

Y

Y

G

G

N
|
N

F
x
V

G
|
G

Q
|
Q

S

T

N

N

Y
|
Y

G

A

A

A

K
|
K

M

A

A

G

V

V

L

I

G

G

L

M

M

T

N

K

T

T

L

W

K

A

L

K

E

E

G

L

A

A

K

R

N

K

D

G

V

I

K

N

I

V

N

N

A

A

I

V

S

A

P
|
P

V
x
G

A
x
F

A
x
T

T

E

R
x
T

M
x
A

T
x
M

E
x
V

G

A

L

E

M

V

P

P

P

E

E

K

V

V

L

I

A

E

K
|
K

L

M

-

K

-

A

-

Q

-

V

-

P

-

M

-

G

-

R

-

L

-

G

A

K

P

P

E

E

Y

D

V

I

T

A

P

N

G

A

V

Y

V

L

Y

F

L

L

C

A

S

S

D

H

E

E

A

S

active site: G18 (= G19), N111 (≠ H125), S139 (= S153), Q149 (= Q163), Y152 (= Y166), K156 (= K170)
binding acetoacetyl-coenzyme a: T91 (≠ L105), D93 (= D107), K98 (= K112), S139 (= S153), T141 (≠ S155), N146 (= N160), V147 (≠ F161), G148 (= G162), Q149 (= Q163), Y152 (= Y166), F184 (≠ A198), M189 (≠ T203), K200 (= K214)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G15), A16 (≠ G17), N17 (≠ G18), G18 (= G19), I19 (≠ L20), D38 (= D39), F39 (≠ L40), N40 (≠ G41), V59 (≠ A63), D60 (≠ S74), V61 (= V75), N87 (= N101), A88 (= A102), G89 (= G103), I90 (= I104), V110 (= V124), T137 (= T151), S138 (≠ T152), S139 (= S153), Y152 (= Y166), K156 (= K170), P182 (= P196), G183 (≠ V197), F184 (≠ A198), T185 (≠ A199), T187 (≠ R201), A188 (≠ M202), M189 (≠ T203), V190 (≠ E204)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
35% identity, 79% coverage: 6:243/301 of query aligns to 3:244/247 of 4jroC

query
sites
4jroC

F

L

D

Q

G

G

K

K

V

V

A

A

I

V

V

V

T

T

G
|
G

A

G

G
x
S

G
x
R

G
|
G

L
x
I

G

G

R

R

Q

D

H

I

A

A

L

I

E

N

L

L

A

A

R

K

R

E

G

G

A

A

K

N

V

I

V

F

N
|
N

D

-

L

-

G

-

S

-

M

-

D

-

G

-

S
x
Y

G
x
N

G
|
G

S
|
S

S

P

E

E

A

A

Q

E

K

E

V

T

V

A

D

K

E

L

I

V

K

A

A

E

L

H

G

G

G

V

E

E

A

V

I

E

A

A

N

M

G

K

S
x
A

S
x
N

V
|
V

T

A

D

I

D

A

A

E

G

D

V

V

A

D

L

A

M

F

I

F

K

K

Q

Q

A

A

M

I

D

E

T

R

W

F

G

G

R

R

I

V

D

D

I

I

L

L

I

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

L

T

R

R

D

D

K

N

T

L

L

L

T

M

K

R

M

M

E

K

L

E

A

D

D

E

F

W

E

D

L

D

V

V

M

I

Q

N

V
x
I

H

N

V

L

F

K

G

G

T

T

F

F

K

L

P

C

I

T

K

K

A

A

V

V

W

S

D

R

I

T

M

M

K

M

A

K

Q

Q

N

R

Y

A

G

G

R

K

I

I

V

I

V

N

T

M

T
x
A

S
|
S

S

V

G

G

M

L

Y

I

G

G

N

N

F

A

G

G

Q
|
Q

S

A

N

N

Y
|
Y

G

V

A

A

A

S

K
|
K

M

A

A

G

V

V

L

I

G

G

L

L

M

T

N

K

T

T

L

T

K

A

L

R

E

E

G

L

A

A

K

P

N

R

D

G

V

I

K

N

I

V

N

N

A

A

I

V

S

A

P
|
P

-
x
G

V

F

A
x
I

A

T

T
|
T

R

D

M

M

T

T

E

D

G

K

L

L

M

D

P

E

P

K

E

T

V

K

L

E

A

A

K

M

L

L

A

A

-

Q

-

I

-

P

-

L

-

G

-

A

-

Y

-

G

-

T

P

T

E

E

Y

D

V

I

T

A

P

N

G

A

V

V

V

L

Y

F

L

L

C

A

S

S

D

D

E

A

A

S

P

K

-

Y

-

I

T

T

G

G

A

Q

I

T

L

L

T

S

A

V

G

D

A

G

G

G

active site: G16 (= G19), S142 (= S153), Q152 (= Q163), Y155 (= Y166), K159 (= K170)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (≠ G17), R15 (≠ G18), G16 (= G19), I17 (≠ L20), N35 (= N38), Y36 (≠ S47), N37 (≠ G48), G38 (= G49), S39 (= S50), A62 (≠ S73), N63 (≠ S74), V64 (= V75), N90 (= N101), A91 (= A102), G92 (= G103), I93 (= I104), I113 (≠ V124), A141 (≠ T152), S142 (= S153), Y155 (= Y166), K159 (= K170), P185 (= P196), G186 (vs. gap), I188 (≠ A198), T190 (= T200)

6zzqA Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and acetoacetate (see paper)
36% identity, 63% coverage: 6:196/301 of query aligns to 4:185/260 of 6zzqA

query
sites
6zzqA

F

L

D

D

G

G

K

K

V

V

A

A

I

F

V

I

T

T

G
|
G

A

S

G

A

G
x
S

G
|
G

L
x
I

G

G

R

L

Q

E

H

I

A

A

L

K

E

K

L

F

A

A

R

Q

R

E

G

G

A

A

K

K

V

V

V

I

N

S

D
|
D

L
x
M

G

-

S

-

M

-

D

-

G

-

S

-

G

-

S

N

S

A

E

E

A

K

A

C

Q

Q

K

E

V

T

V

A

D

N

E

S

I

L

K

K

A

E

L

Q

G

G

G

F

E

D

A

A

I

L

A

S

N

A

G

P

S
x
C

S
x
D

V
|
V

T

T

D

D

D

E

A

D

G

A

V

Y

A

K

L

Q

M

A

I

I

K

E

Q

L

A

T

M

Q

D

K

T

T

W

F

G

G

R

T

I

V

D

D

I

I

L

L

I

I

A

N

N
|
N

A
|
A

G
|
G

I
x
F

L
x
Q

R

H

D

V

K

A

T

P

L

I

T

E

K

E

M

F

E

P

L

T

A

A

D

V

F

F

E

Q

L
x
K

V

L

M

V

Q

Q

V
|
V

H

M

V

L

F

T

G

G

T

A

F

F

K

I

P

G

I

I

K

K

A

H

V

V

W

L

D

P

I

I

M

M

K

K

A

A

Q

Q

N

K

Y

Y

G

G

R

R

I

I

V

I

V

N

T
x
M

T
x
A

S
|
S

S

I

S
x
N

G

G

M

L

Y

I

G

G

N

F

F

A

G

G

Q
x
K

S

A

N

G

Y
|
Y

G

N

A

S

A

A

K
|
K

M

H

A

G

V

V

L

I

G

G

L

L

M

T

N

K

T

V

L

A

K

A

L

L

E

E

G

C

A

A

K

R

N

D

D

G

V

I

K

T

I

V

N

N

A

A

I

L

S

C

P
|
P

active site: G17 (= G19), S142 (= S153), Y155 (= Y166)
binding acetoacetic acid: F93 (≠ I104), Q94 (≠ L105), K109 (≠ L120), V113 (= V124), S142 (= S153), N144 (≠ S155), K152 (≠ Q163), Y155 (= Y166)
binding nicotinamide-adenine-dinucleotide: G13 (= G15), S16 (≠ G18), G17 (= G19), I18 (≠ L20), D37 (= D39), M38 (≠ L40), C62 (≠ S73), D63 (≠ S74), V64 (= V75), N90 (= N101), A91 (= A102), G92 (= G103), V113 (= V124), M140 (≠ T151), A141 (≠ T152), S142 (= S153), Y155 (= Y166), K159 (= K170), P185 (= P196)

Sites not aligning to the query:

6zzsD Crystal structure of (r)-3-hydroxybutyrate dehydrogenase from acinetobacter baumannii complexed with NAD+ and 3-oxovalerate (see paper)
36% identity, 63% coverage: 6:196/301 of query aligns to 5:186/261 of 6zzsD

query
sites
6zzsD

F

L

D

D

G

G

K

K

V

V

A

A

I

F

V

I

T

T

G
|
G

A

S

G

A

G
x
S

G
|
G

L
x
I

G

G

R

L

Q

E

H

I

A

A

L

K

E

K

L

F

A

A

R

Q

R

E

G

G

A

A

K

K

V

V

V

I

N

S

D
|
D

L
x
M

G

-

S

-

M

-

D

-

G

-

S

-

G

-

S

N

S

A

E

E

A

K

A

C

Q

Q

K

E

V

T

V

A

D

N

E

S

I

L

K

K

A

E

L

Q

G

G

G

F

E

D

A

A

I

L

A

S

N

A

G

P

S
x
C

S
x
D

V
|
V

T

T

D

D

D

E

A

D

G

A

V

Y

A

K

L

Q

M

A

I

I

K

E

Q

L

A

T

M

Q

D

K

T

T

W

F

G

G

R

T

I

V

D

D

I

I

L

L

I

I

A

N

N
|
N

A
|
A

G
|
G

I
x
F

L
x
Q

R

H

D

V

K

A

T

P

L

I

T

E

K

E

M

F

E

P

L

T

A

A

D

V

F

F

E

Q

L

K

V

L

M

V

Q

Q

V
|
V

H

M

V

L

F

T

G

G

T

A

F

F

K

I

P

G

I

I

K

K

A

H

V

V

W

L

D

P

I

I

M

M

K

K

A

A

Q

Q

N

K

Y

Y

G

G

R

R

I

I

V

I

V

N

T
x
M

T
x
A

S
|
S

S

I

S
x
N

G

G

M

L

Y

I

G

G

N

F

F

A

G

G

Q
x
K

S

A

N

G

Y
|
Y

G

N

A

S

A

A

K
|
K

M

H

A

G

V

V

L

I

G

G

L

L

M

T

N

K

T

V

L

A

K

A

L

L

E

E

G

C

A

A

K

R

N

D

D

G

V

I

K

T

I

V

N

N

A

A

I

L

S

C

P
|
P

active site: G18 (= G19), S143 (= S153), Y156 (= Y166)
binding nicotinamide-adenine-dinucleotide: G14 (= G15), S17 (≠ G18), G18 (= G19), I19 (≠ L20), D38 (= D39), M39 (≠ L40), C63 (≠ S73), D64 (≠ S74), V65 (= V75), N91 (= N101), A92 (= A102), G93 (= G103), F94 (≠ I104), V114 (= V124), M141 (≠ T151), A142 (≠ T152), S143 (= S153), Y156 (= Y166), K160 (= K170), P186 (= P196)
binding 3-oxidanylidenepentanoic acid: Q95 (≠ L105), S143 (= S153), N145 (≠ S155), K153 (≠ Q163), Y156 (= Y166)

Sites not aligning to the query:

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
33% identity, 80% coverage: 6:245/301 of query aligns to 3:242/244 of 6t77A

query
sites
6t77A

F

F

D

E

G

G

K

K

V

I

A

A

I

L

V

V

T

T

G
|
G

A

A

G
x
S

G
x
R

G
|
G

L

I

G

G

R

R

Q

A

H

I

A

A

L

E

E

T

L

L

A

V

R

A

R

R

G

G

A

A

K

K

V

V

V

I

V

-

N

-

D

-

L

-

G

-

S

-

M

-

D

-

G

G

S

T

G
x
A

G
x
T

S

S

S

E

E

S

A

G

A

A

Q

Q

K

A

V

I

V

S

D

D

E

Y

I

L

K

G

A

A

L

N

G

G

G

K

E

G

A

L

I

M

A
x
L

N
|
N

G

-

S

-

V
|
V

T

T

D

D

D

P

A

A

G

S

V

I

A

E

L

S

M

V

I

L

K

E

Q

N

A

V

M

R

D

A

T

E

W

F

G

G

R

E

I

V

D

D

I

I

L

L

I

V

A

N

N

N

A
|
A

G
|
G

I
|
I

L

T

R

R

D

D

K

N

T

L

L

L

T

M

K

R

M

M

E

K

L

D

A

D

D

E

F

W

E

N

L

D

V

I

M

I

Q

E

V
x
T

H

N

V

L

F

S

G

S

T

V

F

F

K

R

P

L

I

S

K

K

A

A

V

V

W

M

D

R

I

A

M

M

K

M

A

K

Q

K

N

R

Y

H

G

G

R

R

I

I

V

I

V

T

T

I

T

G

S
|
S

S

V

G

G

M

T

Y

M

G

G

N

N

F

A

G

G

Q

Q

S

A

N

N

Y
|
Y

G

A

A

A

K

K

M

A

A

G

V

L

L

I

G

G

L

F

M

S

N

K

T

S

L

L

K

A

L

R

E

E

G

V

A

A

K

S

N

R

D

G

V

I

K

T

I

V

N

N

A

V

I

V

S

A

P

P

-

G

V

F

A

I

A

E

T

T

R

D

M

M

T

T

E

R

G

A

L

L

M

T

P

D

P

E

E

Q

V

R

L

A

A

G

K

T

L

L

A

A

-

A

-

V

-

P

-

A

-

G

-

R

-

L

-

G

-

T

P

P

E

N

Y

E

V

I

T

A

P

S

G

A

V

V

V

A

Y

F

L

L

C

A

S

S

D

D

E

E

A

A

P

S

-

Y

-

I

T

T

G

G

A

E

I

T

L

L

T

H

A

V

G

N

A

G

G

G

A

M

F

Y

active site: G16 (= G19), S138 (= S153), Y151 (= Y166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (≠ G17), R15 (≠ G18), A36 (≠ G48), T37 (≠ G49), L58 (≠ A70), N59 (= N71), V60 (= V75), A87 (= A102), G88 (= G103), I89 (= I104), T109 (≠ V124)

P0AEK2 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Escherichia coli (strain K12) (see 2 papers)
33% identity, 80% coverage: 4:245/301 of query aligns to 1:242/244 of P0AEK2

query
sites
P0AEK2

I

M

R

N

F

F

D

E

G

G

K

K

V

I

A

A

I

L

V

V

T

T

G
|
G

A
|
A

G
x
S

G
x
R

G

G

L

I

G

G

R

R

Q

A

H

I

A

A

L

E

E

T

L

L

A

A

R

A

R

R

G

G

A

A

K

K

V

V

V

I

V

-

N

-

D

-

L

-

G

-

S

-

M

-

D

-

G

G

S

T

G

A

G
x
T

S

S

S

E

E

N

A

G

A

A

Q

Q

K

A

V

I

V

S

D

D

E

Y

I

L

K

G

A

A

L

N

G

G

G

K

E

G

A

L

I

M

A

L

N
|
N

G

-

S

-

V
|
V

T

T

D

D

D

P

A

A

G

S

V

I

A

E

L

S

M

V

I

L

K

E

Q

K

A

I

M

R

D

A

T

E

W

F

G

G

R

E

I

V

D

D

I

I

L

L

I

V

A

N

N
|
N

A

A

G

G

I

I

L

T

R

R

D

D

K

N

T

L

L

L

T

M

K

R

M

M

E

K

L

D

A

E

D

E

F

W

E

N

L

D

V

I

M

I

Q

E

V

T

H

N

V

L

F

S

G

S

T

V

F

F

K

R

P

L

I

S

K

K

A

A

V

V

W

M

D

R

I

A

M

M

K

M

A

K

Q

K

N

R

Y

H

G

G

R

R

I

I

V

I

V

T

T

I

T

G

S

S

S

V

G

G

M

T

Y

M

G

G

N

N

F

G

G

G

Q

Q

S

A

N

N

Y
|
Y

G
x
A

A
|
A

K
|
K

M

A

A

G

V

L

L

I

G

G

L

F

M

S

N

K

T

S

L

L

K

A

L

R

E

E

G

V

A

A

K

S

N

R

D

G

V

I

K

T

I

V

N

N

A

V

I

V

S

A

P

P

-

G

V

F

A
x
I

A

E

T

T

R

D

M

M

T

T

E

R

G

A

L

L

M

S

P

D

E

Q

-

R

-

A

-

G

V

I

L

L

A

A

K

Q

L

V

-

P

-

A

-

G

-

R

-

L

-

G

A

G

P

A

E

Q

Y

E

V

I

T

A

P

N

G

A

V

V

V

A

Y

F

L

L

C

A

S

S

D

D

E

E

A

A

P

A

-

Y

-

I

T

T

G

G

A
x
E

I

T

L

L

T

H

A

V

G

N

A

G

G

G

A

M

F

Y

GASR 12:15 (≠ GAGG 15:18) binding
T37 (≠ G49) binding
N---V 59:60 (≠ NGSSV 71:75) binding
N86 (= N101) binding
Y151 (= Y166) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YGAAK 166:170) binding
A154 (= A169) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K170) mutation to A: Defect in the affinity for NADPH.
I184 (≠ A198) binding
E233 (≠ A236) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

1q7bA The structure of betaketoacyl-[acp] reductase from e. Coli in complex with NADP+ (see paper)
33% identity, 80% coverage: 6:245/301 of query aligns to 2:241/243 of 1q7bA

query
sites
1q7bA

F

F

D

E

G

G

K

K

V

I

A

A

I

L

V

V

T

T

G
|
G

A

A

G
x
S

G
x
R

G
|
G

L
x
I

G

G

R

R

Q

A

H

I

A

A

L

E

E

T

L

L

A

A

R

A

R

R

G

G

A

A

K

K

V

V

V

I

V

-

N

-

D

-

L

-

G

-

S

-

M

-

D

-

G

G

S

T

G
x
A

G
x
T

S

S

S

E

E

N

A

G

A

A

Q

Q

K

A

V

I

V

S

D

D

E

Y

I

L

K

G

A

A

L

N

G

G

G

K

E

G

A

L

I

M

A
x
L

N
|
N

G

-

S

-

V
|
V

T

T

D

D

D

P

A

A

G

S

V

I

A

E

L

S

M

V

I

L

K

E

Q

K

A

I

M

R

D

A

T

E

W

F

G

G

R

E

I

V

D

D

I

I

L

L

I

V

A

N

N
|
N

A
|
A

G
|
G

I
|
I

L

T

R

R

D

D

K

N

T

L

L

L

T

M

K

R

M

M

E

K

L

D

A

E

D
x
E

F

W

E

N

L

D

V

I

M

I

Q

E

V
x
T

H

N

V

L

F

S

G

S

T

V

F

F

K

R

P

L

I

S

K

K

A

A

V

V

W

M

D

R

I

A

M

M

K

M

A

K

Q

K

N

R

Y

H

G

G

R

R

I

I

V

I

V

T

T
x
I

T
x
G

S
|
S

S

V

G

G

M

T

Y

M

G

G

N

N

F

G

G

G

Q
|
Q

S

A

N

N

Y
|
Y

G

A

A

A

K
|
K

M

A

A

G

V

L

L

I

G

G

L

F

M

S

N

K

T

S

L

L

K

A

L

R

E

E

G

V

A

A

K

S

N

R

D

G

V

I

K

T

I

V

N

N

A

V

I

V

S

A

P
|
P

-
x
G

V
x
F

A
x
I

A

E

T

T

R

D

M

M

T

T

E

R

G

A

L

L

M

S

P

D

E

Q

-

R

-

A

-

G

V

I

L

L

A

A

K

Q

L

V

-

P

-

A

-

G

-

R

-

L

-

G

A

G

P

A

E

Q

Y

E

V

I

T

A

P

N

G

A

V

V

V

A

Y

F

L

L

C

A

S

S

D

D

E

E

A

A

P

A

-

Y

-

I

T

T

G

G

A
x
E

I
x
T

L

L

T

H

A

V

G

N

A

G

G

G

A

M

F

Y

active site: G15 (= G19), E101 (≠ D117), S137 (= S153), Q147 (= Q163), Y150 (= Y166), K154 (= K170)
binding calcium ion: E232 (≠ A236), T233 (≠ I237)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G11 (= G15), S13 (≠ G17), R14 (≠ G18), I16 (≠ L20), A35 (≠ G48), T36 (≠ G49), L57 (≠ A70), N58 (= N71), V59 (= V75), N85 (= N101), A86 (= A102), G87 (= G103), I88 (= I104), T108 (≠ V124), I135 (≠ T151), G136 (≠ T152), S137 (= S153), Y150 (= Y166), K154 (= K170), P180 (= P196), G181 (vs. gap), F182 (≠ V197), I183 (≠ A198)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
35% identity, 79% coverage: 9:245/301 of query aligns to 2:238/239 of 3sj7A

query
sites
3sj7A

K

K

V

S

A

A

I

L

V

V

T

T

G
|
G

A

A

G
x
S

G
x
R

G
|