SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 3607835 FitnessBrowser__Dino:3607835 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)

5wjsA Crystal structure of oxidoreductase (short chain dehydrogenase/reductase family) from burkholderia thailandensis complexed with nadh
50% identity, 97% coverage: 5:253/258 of query aligns to 7:256/258 of 5wjsA

query
sites
5wjsA

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active site: G27 (= G25), S152 (= S149), Y162 (= Y159), Y165 (= Y162), K169 (≠ N166)
binding 1,4-dihydronicotinamide adenine dinucleotide: G23 (= G21), A25 (≠ G23), T26 (≠ S24), G27 (= G25), I28 (= I26), D47 (≠ G45), L48 (≠ R46), C72 (≠ G69), D73 (= D70), L74 (≠ I71), T75 (= T72), N100 (= N97), A101 (= A98), A102 (= A99), V123 (≠ I120), L150 (≠ F147), G151 (≠ S148), S152 (= S149), Y165 (= Y162), K169 (≠ N166), P195 (= P192), G196 (= G193), W197 (= W194), V198 (= V195), T200 (= T197), K202 (= K199), Q203 (= Q200)

7wwxA Crystal structure of herbaspirillum huttiense l-arabinose 1- dehydrogenase (NAD bound form) (see paper)
46% identity, 97% coverage: 7:255/258 of query aligns to 4:254/254 of 7wwxA

query
sites
7wwxA

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binding nicotinamide-adenine-dinucleotide: G18 (= G21), T21 (≠ S24), G22 (= G25), I23 (= I26), D42 (vs. gap), I43 (= I44), C68 (≠ G69), D69 (= D70), L70 (≠ I71), N96 (= N97), A97 (= A98), A98 (= A99), F146 (= F147), S147 (= S148), S148 (= S149), Y161 (= Y162), K165 (≠ N166), P191 (= P192), G192 (= G193), W193 (= W194), V194 (= V195), T196 (= T197), R198 (≠ K199), Q199 (= Q200)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
36% identity, 95% coverage: 12:256/258 of query aligns to 3:247/247 of 4jroC

query
sites
4jroC

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active site: G16 (= G25), S142 (= S149), Q152 (≠ Y159), Y155 (= Y162), K159 (≠ N166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G21), S14 (≠ G23), R15 (≠ S24), G16 (= G25), I17 (= I26), N35 (≠ I44), Y36 (vs. gap), N37 (vs. gap), G38 (= G45), S39 (≠ R46), A62 (≠ G69), N63 (≠ D70), V64 (≠ I71), N90 (= N97), A91 (= A98), G92 (≠ A99), I93 (≠ N100), I113 (= I120), A141 (≠ S148), S142 (= S149), Y155 (= Y162), K159 (≠ N166), P185 (= P192), G186 (= G193), I188 (≠ V195), T190 (= T197)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
33% identity, 93% coverage: 18:256/258 of query aligns to 11:244/244 of 4nbuB

query
sites
4nbuB

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active site: G18 (= G25), N111 (= N121), S139 (= S149), Q149 (≠ Y159), Y152 (= Y162), K156 (≠ N166)
binding acetoacetyl-coenzyme a: T91 (≠ D101), D93 (≠ R103), K98 (≠ E108), S139 (= S149), T141 (≠ S151), N146 (= N156), V147 (≠ A157), G148 (= G158), Q149 (≠ Y159), Y152 (= Y162), F184 (≠ W194), M189 (≠ K199), K200 (≠ H213)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G21), A16 (≠ G23), N17 (≠ S24), G18 (= G25), I19 (= I26), D38 (= D48), F39 (≠ A49), N40 (≠ S50), V59 (≠ G69), D60 (= D70), V61 (≠ I71), N87 (= N97), A88 (= A98), G89 (≠ A99), I90 (≠ N100), V110 (≠ I120), T137 (≠ F147), S138 (= S148), S139 (= S149), Y152 (= Y162), K156 (≠ N166), P182 (= P192), G183 (= G193), F184 (≠ W194), T185 (≠ V195), T187 (= T197), A188 (≠ P198), M189 (≠ K199), V190 (≠ Q200)

3lqfA Crystal structure of the short-chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD and erythritol (see paper)
38% identity, 97% coverage: 8:256/258 of query aligns to 5:253/254 of 3lqfA

query
sites
3lqfA

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T

A

A

E

A

A

H

V

G

A

P

P

I

V

T

S

A

I

L

L

V

V

N

N

N
x
S

A
|
A

A
x
G

N
x
I

D
x
A

K

R

R

L

H

H

S

D

T

A

A

L

E

E

V

T

T

D

P

D

E

A

F

T

W

W

D

R

Q

Q

M

V

Q

M

A

A

I
x
V

N

N

L

V

K

D

A

G

Y

M

F

F

F

W

A

A

A

S

Q

R

A

A

V

F

T

G

P

R

G

A

M

M

A

V

E

A

A

R

G

G

G

A

G

G

A

A

I

I

V

V

N

N

F
x
L

S
x
G

S
|
S

I

M

S

S

Y

G

M

T

M

I

G

V

N
|
N

A

R

G

P

Y
x
Q

-

F

-

A

P

S

A

S

Y
|
Y

T

M

A

A

A

S

N
x
K

A

G

G

A

I

V

T

H

G

Q

L

L

T

T

R

R

S

A

L

L

A

A

R

A

E

E

F

W

G

A

P

G

D

R

G

G

I

V

R

R

V

V

N

N

A

A

L

L

A

A

P
|
P

G
|
G

W
x
Y

V
|
V

L

A

T
|
T

P
x
E

K
x
M

Q
x
T

L

L

E

K

M
|
M

W

R

A

E

T

R

P

P

E

E

D

L

L

F

A

E

A

T

H

W

L

L

D

D

R

M

Q

T

C

P

L

M

K

G

T

R

H

C

L

G

A

E

P

P

E

S

D

E

I

I

V

A

E

A

A

A

T

A

L

L

F

F

L

L

A

A

S

S

G

P

A

A

S

A

K

S

M

Y

M

V

T

T

G

G

Q

A

C

I

M

L

V

A

V

V

D

D

G

G

V

Y

V

T

V

V

active site: G22 (= G25), S144 (= S149), Y159 (= Y162), K163 (≠ N166)
binding meso-erythritol: A96 (≠ D101), N151 (= N156), Q154 (≠ Y159), Y159 (= Y162), Y191 (≠ W194), M196 (≠ K199), T197 (≠ Q200), M200 (= M203)
binding nicotinamide-adenine-dinucleotide: G18 (= G21), G20 (= G23), S21 (= S24), G22 (= G25), I23 (= I26), D42 (≠ G45), R43 (= R46), E44 (≠ S47), A65 (≠ G69), D66 (= D70), V67 (≠ I71), S92 (≠ N97), A93 (= A98), G94 (≠ A99), I95 (≠ N100), V115 (≠ I120), L142 (≠ F147), G143 (≠ S148), S144 (= S149), Y159 (= Y162), K163 (≠ N166), P189 (= P192), G190 (= G193), Y191 (≠ W194), V192 (= V195), T194 (= T197), E195 (≠ P198), M196 (≠ K199), T197 (≠ Q200)

2wsbA Crystal structure of the short-chain dehydrogenase galactitol-dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD (see paper)
38% identity, 97% coverage: 8:256/258 of query aligns to 5:253/254 of 2wsbA

query
sites
2wsbA

T

T

F

V

H

F

D

R

L

L

D

D

G

G

A

A

S

C

V

A

F

A

V

V

T

T

G
|
G

G

A

G
|
G

S
|
S

G
|
G

I
|
I

G

G

A

L

A

E

L

I

T

C

D

R

G

A

F

F

L

A

A

A

Q

S

G

G

A

A

Q

R

V

L

A

I

F

L

I

I

G
x
D

R
|
R

S
x
E

D

A

A

A

S

A

A

L

F

D

V

R

A

A

K

A

M

Q

R

E

A

L

A

G

H

A

G

A

R

V

A

A

P

A

L

R

F

I

V

V

Q

-

G
x
A

D
|
D

I
x
V

T

T

D

D

T

A

D

E

A

A

L

M

R

-

A

T

A

A

I

A

A

A

Q

A

A

E

T

A

A

E

A

A

H

V

G

A

P

P

I

V

T

S

A

I

L

L

V

V

N

N

N
x
S

A
|
A

A
x
G

N
x
I

D
x
A

K

R

R

L

H

H

S

D

T

A

A

L

E

E

V

T

T

D

P

D

E

A

F

T

W

W

D

R

Q

Q

M

V

Q

M

A

A

I
x
V

N

N

L

V

K

D

A

G

Y

M

F

F

F

W

A

A

A

S

Q

R

A

A

V

F

T

G

P

R

G

A

M

M

A

V

E

A

A

R

G

G

G

A

G

G

A

A

I

I

V

V

N

N

F
x
L

S
x
G

S
|
S

I
x
M

S
|
S

Y

G

M

T

M

I

G

V

N
|
N

A

R

G

P

Y
x
Q

-

F

-

A

P

S

A

S

Y
|
Y

T

M

A

A

A

S

N
x
K

A

G

G

A

I

V

T

H

G

Q

L

L

T

T

R

R

S

A

L

L

A

A

R

A

E

E

F

W

G

A

P

G

D

R

G

G

I

V

R

R

V

V

N

N

A

A

L

L

A

A

P
|
P

G
|
G

W
x
Y

V
|
V

L

A

T
|
T

P
x
E

K
x
M

Q
x
T

L

L

E

K

M

M

W

R

A

E

T

R

P

P

E

E

D

L

L

F

A

E

A

T

H

W

L

L

D

D

R

M

Q

T

C

P

L

M

K

G

T

R

H

C

L

G

A

E

P

P

E

S

D

E

I

I

V

A

E

A

A

A

T

A

L

L

F

F

L

L

A

A

S

S

G

P

A

A

S

A

K

S

M

Y

M

V

T

T

G

G

Q

A

C

I

M

L

V

A

V

V

D

D

G

G

V

Y

V

T

V

V

active site: G22 (= G25), S144 (= S149), Y159 (= Y162), K163 (≠ N166)
binding nicotinamide-adenine-dinucleotide: G18 (= G21), G20 (= G23), S21 (= S24), G22 (= G25), I23 (= I26), D42 (≠ G45), R43 (= R46), E44 (≠ S47), A65 (≠ G69), D66 (= D70), V67 (≠ I71), S92 (≠ N97), A93 (= A98), G94 (≠ A99), I95 (≠ N100), V115 (≠ I120), L142 (≠ F147), G143 (≠ S148), S144 (= S149), Y159 (= Y162), K163 (≠ N166), P189 (= P192), G190 (= G193), Y191 (≠ W194), V192 (= V195), T194 (= T197), E195 (≠ P198), M196 (≠ K199), T197 (≠ Q200)
binding n-propanol: A96 (≠ D101), S144 (= S149), M145 (≠ I150), S146 (= S151), N151 (= N156), N151 (= N156), Q154 (≠ Y159), Y159 (= Y162), Y159 (= Y162), G190 (= G193), Y191 (≠ W194)

2wdzA Crystal structure of the short chain dehydrogenase galactitol-dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD+ and 1,2-pentandiol (see paper)
38% identity, 97% coverage: 8:256/258 of query aligns to 5:253/254 of 2wdzA

query
sites
2wdzA

T

T

F

V

H

F

D

R

L

L

D

D

G

G

A

A

S

C

V

A

F

A

V

V

T

T

G
|
G

G

A

G
|
G

S
|
S

G
|
G

I
|
I

G

G

A

L

A

E

L

I

T

C

D

R

G

A

F

F

L

A

A

A

Q

S

G

G

A

A

Q

R

V

L

A

I

F

L

I

I

G
x
D

R
|
R

S

E

D
x
A

A

A

S

A

A
x
L

F
x
D

V

R

A

A

K

A

M

Q

R

E

A

L

A

G

H

A

G

A

R

V

A

A

P

A

L
x
R

F

I

V
|
V

Q

-

G
x
A

D
|
D

I
x
V

T
|
T

D

D

T

A

D

E

A

A

L

M

R

-

A

T

A

A

I

A

A

A

Q

A

A

E

T

A

A

E

A

A

H

V

G

A

P

P

I

V

T

S

A

I

L

L

V

V

N

N

N
x
S

A
|
A

A
x
G

N

I

D

A

K

R

R

L

H

H

S

D

T

A

A

L

E

E

V

T

T

D

P

D

E

A

F

T

W

W

D

R

Q

Q

M

V

Q

M

A

A

I
x
V

N

N

L

V

K

D

A

G

Y

M

F

F

F

W

A

A

A

S

Q

R

A

A

V

F

T

G

P

R

G

A

M

M

A

V

E

A

A

R

G

G

G

A

G

G

A

A

I

I

V

V

N

N

F
x
L

S
x
G

S
|
S

I

M

S
|
S

Y

G

M

T

M

I

G

V

N
|
N

A

R

G

P

Y

Q

-

F

-

A

P

S

A

S

Y
|
Y

T

M

A

A

A

S

N
x
K

A

G

G

A

I

V

T

H

G

Q

L

L

T

T

R

R

S

A

L

L

A

A

R

A

E

E

F

W

G

A

P

G

D

R

G

G

I

V

R

R

V

V

N

N

A

A

L

L

A

A

P
|
P

G
|
G

W
x
Y

V
|
V

L

A

T
|
T

P
x
E

K
x
M

Q
x
T

L

L

E

K

M

M

W

R

A

E

T

R

P

P

E

E

D

L

L

F

A

E

A

T

H

W

L

L

D

D

R

M

Q

T

C

P

L

M

K

G

T

R

H

C

L

G

A

E

P

P

E

S

D

E

I

I

V

A

E

A

A

A

T

A

L

L

F

F

L

L

A

A

S

S

G

P

A

A

S

A

K

S

M

Y

M

V

T

T

G

G

Q

A

C

I

M

L

V

A

V

V

D

D

G

G

V

Y

V

T

V

V

active site: G22 (= G25), S144 (= S149), Y159 (= Y162), K163 (≠ N166)
binding (2S)-pentane-1,2-diol: A45 (≠ D48), L48 (≠ A51), D49 (≠ F52), R62 (≠ L65), V64 (= V67), S144 (= S149), S146 (= S151), N151 (= N156), Y159 (= Y162), Y191 (≠ W194)
binding nicotinamide-adenine-dinucleotide: G18 (= G21), G20 (= G23), S21 (= S24), G22 (= G25), I23 (= I26), D42 (≠ G45), R43 (= R46), A65 (≠ G69), D66 (= D70), V67 (≠ I71), T68 (= T72), S92 (≠ N97), A93 (= A98), G94 (≠ A99), V115 (≠ I120), L142 (≠ F147), G143 (≠ S148), S144 (= S149), Y159 (= Y162), K163 (≠ N166), P189 (= P192), G190 (= G193), Y191 (≠ W194), V192 (= V195), T194 (= T197), E195 (≠ P198), M196 (≠ K199), T197 (≠ Q200)

C0KTJ6 Galactitol 2-dehydrogenase (L-tagatose-forming); Galactitol dehydrogenase; GDH; GatDH; Galactitol:NAD(+) 5-oxidoreductase; EC 1.1.1.406 from Cereibacter sphaeroides (Rhodobacter sphaeroides) (see paper)
38% identity, 97% coverage: 8:256/258 of query aligns to 5:253/254 of C0KTJ6

query
sites
C0KTJ6

T

T

F

V

H

F

D

R

L

L

D

D

G

G

A

A

S

C

V

A

F

A

V

V

T

T

G

G

G

A

G

G

S
|
S

G
|
G

I
|
I

G

G

A

L

A

E

L

I

T

C

D

R

G

A

F

F

L

A

A

A

Q

S

G

G

A

A

Q

R

V

L

A

I

F

L

I

I

G
x
D

R

R

S

E

D

A

A

A

S

A

A

L

F

D

V

R

A

A

K

A

M

Q

R

E

A

L

A

G

H

A

G

A

R

V

A

A

P

A

L

R

F

I

V

V

Q

-

G

A

D
|
D

I
x
V

T

T

D

D

T

A

D

E

A

A

L

M

R

-

A

T

A

A

I

A

A

A

Q

A

A

E

T

A

A

E

A

A

H

V

G

A

P

P

I

V

T

S

A

I

L

L

V

V

N

N

N

S

A

A

A

G

N

I

D

A

K

R

R

L

H

H

S

D

T

A

A

L

E

E

V

T

T

D

P

D

E

A

F

T

W

W

D

R

Q

Q

M

V

Q

M

A

A

I

V

N

N

L

V

K

D

A

G

Y

M

F

F

F

W

A

A

A

S

Q

R

A

A

V

F

T

G

P

R

G

A

M

M

A

V

E

A

A

R

G

G

G

A

G

G

A

A

I

I

V

V

N

N

F

L

S

G

S

S

I

M

S

S

Y

G

M

T

M

I

G

V

N

N

A

R

G

P

Y

Q

-

F

-

A

P

S

A

S

Y
|
Y

T

M

A

A

A

S

N
x
K

A

G

G

A

I

V

T

H

G

Q

L

L

T

T

R

R

S

A

L

L

A

A

R

A

E

E

F

W

G

A

P

G

D

R

G

G

I

V

R

R

V

V

N

N

A

A

L

L

A

A

P

P

G

G

W

Y

V
|
V

L
x
A

T
|
T

P

E

K

M

Q

T

L

L

E

K

M

M

W

R

A

E

T

R

P

P

E

E

D

L

L

F

A

E

A

T

H

W

L

L

D

D

R

M

Q

T

C

P

L

M

K

G

T

R

H

C

L

G

A

E

P

P

E

S

D

E

I

I

V

A

E

A

A

A

T

A

L

L

F

F

L

L

A

A

S

S

G

P

A

A

S

A

K

S

M

Y

M

V

T

T

G

G

Q

A

C

I

M

L

V

A

V

V

D

D

G

G

V

Y

V

T

V

V

SGI 21:23 (= SGI 24:26) binding
D42 (≠ G45) binding
DV 66:67 (≠ DI 70:71) binding
Y159 (= Y162) binding
K163 (≠ N166) binding
VAT 192:194 (≠ VLT 195:197) binding

Sites not aligning to the query:

254 binding

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
33% identity, 93% coverage: 16:254/258 of query aligns to 3:237/239 of 3sj7A

query
sites
3sj7A

S

S

V

A

F

L

V

V

T

T

G
|
G

G

A

G
x
S

S
x
R

G
|
G

I
|
I

G

G

A

R

A

S

L

I

T

A

D

L

G

Q

F

L

L

A

A

E

Q

E

G

G

A

Y

Q

N

V

V

A

A

-

V

-
x
N

F
x
Y

I
x
A

G
|
G

R
x
S

S

K

D

E

A

K

S

A

A

E

F

A

V

V

A

V

K

E

M

E

R

I

A

K

A

A

H

K

G

G

R

V

A

D

P

S

L

F

F

A

V

I

Q

Q

G
x
A

D
x
N

I
x
V

T

A

D

D

T

A

D

D

A

E

L

V

R

K

A

A

A

M

I

I

A

K

Q

E

A

V

T

V

A

S

A

Q

H

F

G

G

P

S

I

L

T

D

A

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

T

K

R

R

D

H

N

S

L

T

L

A

M

E

R

V

M

T

K

P

E

E

Q

F

E

W

W

D

D

Q

D

M

V

Q

I

A

D

I
x
T

N

N

L

L

K

K

A

G

Y

V

F

F

F

N

A

C

A

I

Q

Q

A

K

V

A

T

T

P

P

G

Q

M

M

A

L

E

R

A

Q

G

R

G

S

G

G

A

A

I

I

V

I

N

N

F
x
L

S
|
S

I

V

S

V

Y

G

M

A

M

V

G

G

N

N

A

P

G

G

Y
x
Q

P

A

A

N

Y
|
Y

T

V

A

A

A

T

N
x
K

A

A

G

G

I

V

T

I

G

G

L

L

T

T

R

K

S

S

L

A

A

A

R

R

E

E

F

L

G

A

P

S

D

R

G

G

I

I

R

T

V

V

N

N

A

A

L

V

A

A

P
|
P

G
|
G

W
x
F

V
x
I

L

V

T

S

P

-

K

-

Q

-

L

-

E

-

M

-

W

-

A

-

T

-

P

-

E

-

D

D

L

M

A

T

A

D

H

E

L

L

D

K

R

E

Q

Q

C

M

L

L

-

T

K

Q

T

I

H

P

L

L

A

A

-

R

-

F

-

G

-

Q

P

D

E

T

D

D

I

I

V

A

E

N

A

T

T

V

L

A

F

F

L

L

A

A

S

S

G

D

A

K

S

A

K

K

M

Y

M

I

T

T

G

G

Q

Q

C

T

M

I

V

H

V

V

D

N

G

G

V

M

active site: G12 (= G25), S138 (= S149), Q148 (≠ Y159), Y151 (= Y162), K155 (≠ N166)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G21), S10 (≠ G23), R11 (≠ S24), G12 (= G25), I13 (= I26), N31 (vs. gap), Y32 (≠ F43), A33 (≠ I44), G34 (= G45), S35 (≠ R46), A58 (≠ G69), N59 (≠ D70), V60 (≠ I71), N86 (= N97), A87 (= A98), G88 (≠ A99), I89 (≠ N100), T109 (≠ I120), L136 (≠ F147), S137 (= S148), S138 (= S149), Y151 (= Y162), K155 (≠ N166), P181 (= P192), G182 (= G193), F183 (≠ W194), I184 (≠ V195)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
33% identity, 93% coverage: 16:254/258 of query aligns to 6:244/246 of 3osuA

query
sites
3osuA

S

S

V

A

F

L

V

V

T

T

G

G

G

A

G

S

S

R

G
|
G

I

I

G

G

A

R

A

S

L

I

T

A

D

L

G

Q

F

L

L

A

A

E

Q

E

G

G

A

Y

Q

N

V

V

A

A

-

V

-

N

F

Y

I

A

G

G

R

S

S

K

D

E

A

K

S

A

A

E

F

A

V

V

A

V

K

E

M

E

R

I

A

K

A

A

H

K

G

G

R

V

A

D

P

S

L

F

F

A

V

I

Q

Q

G

A

D

N

I

V

T

A

D

D

T

A

D

D

A

E

L

V

R

K

A

A

A

M

I

I

A

K

Q

E

A

V

T

V

A

S

A

Q

H

F

G

G

P

S

I

L

T

D

A

V

L

L

V

V

N

N

N
|
N

A

A

A

G

N

I

D

T

K

R

R

D

H

N

S

L

T

L

A

M

E

R

V

M

T

K

P

E

E

Q

F

E

W

W

D

D

Q

D

M

V

Q

I

A

D

I

T

N

N

L

L

K

K

A

G

Y

V

F

F

F

N

A

C

A

I

Q

Q

A

K

V

A

T

T

P

P

G

Q

M

M

A

L

E

R

A

Q

G

R

G

S

G

G

A

A

I

I

V

I

N

N

F

L

S

S

S
|
S

I

V

S

V

Y

G

M

A

M

V

G

G

N

N

A

P

G

G

Y
x
Q

P

A

A

N

Y
|
Y

T

V

A

A

A

T

N
x
K

A

A

G

G

I

V

T

I

G

G

L

L

T

T

R

K

S

S

L

A

A

A

R

R

E

E

F

L

G

A

P

S

D

R

G

G

I

I

R

T

V

V

N

N

A

A

L

V

A

A

P

P

G

G

W

F

V

I

L

V

T

S

P

D

K

-

Q

-

L

-

E

-

M

-

W

-

A

-

T

M

P

T

E

D

D

A

L

L

A

S

A

D

H

E

L

L

D

K

R

E

Q

Q

C

M

L

L

-

T

K

Q

T

I

H

P

L

L

A

A

-

R

-

F

-

G

-

Q

P

D

E

T

D

D

I

I

V

A

E

N

A

T

T

V

L

A

F

F

L

L

A

A

S

S

G

D

A

K

S

A

K

K

M

Y

M

I

T

T

G

G

Q

Q

C

T

M

I

V

H

V

V

D

N

G

G

V

M

active site: G15 (= G25), S141 (= S149), Q151 (≠ Y159), Y154 (= Y162), K158 (≠ N166)
binding magnesium ion: N89 (= N97), K158 (≠ N166)

4fn4A Short-chain NAD(h)-dependent dehydrogenase/reductase from sulfolobus acidocaldarius (see paper)
34% identity, 97% coverage: 8:256/258 of query aligns to 1:253/254 of 4fn4A

query
sites
4fn4A

T

S

F

Y

H

Q

D

S

L

L

D

K

G

N

A

K

S

V

V

V

F

I

V

V

T

T

G
|
G

G

A

G
|
G

S
|
S

G
|
G

I
|
I

G

G

A

R

A

A

L

I

T

A

D

K

G

K

F

F

-

A

L

L

A

N

Q

D

G

S

A

I

Q

V

V

V

A

A

F

V

I
x
E

G
x
L

R
x
L

S

E

D

D

A
x
R

S

L

A

N

F

Q

V

I

A

V

K

Q

M

E

R

L

A

R

A

G

H

M

G

G

R

K

A

E

P

V

L

L

F

G

V

V

Q

K

G
x
A

D
|
D

I
x
V

T

S

D

K

T

K

D

K

A

D

L

V

R

E

A

E

A

F

I

V

A

R

Q

R

A

T

T

F

A

E

A

T

H

Y

G

S

P

R

I

I

T

D

A

V

L

L

V

C

N

N

N
|
N

A
|
A

A
x
G

-
x
I

N

M

D

D

K

G

R

V

H

T

S

P

T

V

A

A

E

E

V

V

T

S

P

D

E

E

F

L

W

W

D

E

Q

R

M

V

Q

L

A

A

I
x
V

N

N

L

L

K

Y

A

S

Y

A

F

F

F

Y

A

S

Q

R

A

A

V

V

T

I

P

P

G

I

M

M

A

L

E

K

A

Q

G

G

G

K

G

G

A

V

I

I

V

V

N

N

F
x
T

S
x
A

S
|
S

I

I

S

A

Y

G

M

I

M

R

G

G

N

G

-

F

A

A

G

G

Y

A

P

P

A

-

Y
|
Y

T

T

A

V

A

A

N
x
K

A

H

G

G

I

L

T

I

G

G

L

L

T

T

R

R

S

S

L

I

A

A

R

A

E

H

F

Y

G

G

P

D

D

Q

G

G

I

I

R

R

V

A

N

V

A

A

L

V

A

L

P
|
P

G
|
G

W
x
T

V
|
V

L

K

T
|
T

-
x
N

-
x
I

-

G

-

L

-

G

-

S

-

K

P

P

K
x
S

Q

E

L

L

E

G

M

M

W

R

A

T

T

L

P

T

E

K

D

L

L

M

A

S

A

-

H

-

L

-

D

-

R

-

Q

-

C

-

L

L

K

S

T

S

H

R

L

L

A

A

-

E

P

P

E

E

D

D

I

I

V

A

E

N

A

V

T

I

L

V

F

F

L

L

A

A

S

S

G

D

A

E

S

A

K

S

M

F

M

V

T

N

G

G

Q

D

C

A

M

V

V

V

D

D

G

G

V

L

V

T

V

V

active site: G18 (= G25), S144 (= S149), Y157 (= Y162), K161 (≠ N166), S202 (≠ K199)
binding nicotinamide-adenine-dinucleotide: G14 (= G21), G16 (= G23), S17 (= S24), G18 (= G25), I19 (= I26), E38 (≠ I44), L39 (≠ G45), L40 (≠ R46), R43 (≠ A49), A63 (≠ G69), D64 (= D70), V65 (≠ I71), N91 (= N97), A92 (= A98), G93 (≠ A99), I94 (vs. gap), V115 (≠ I120), T142 (≠ F147), A143 (≠ S148), S144 (= S149), Y157 (= Y162), K161 (≠ N166), P187 (= P192), G188 (= G193), T189 (≠ W194), V190 (= V195), T192 (= T197), N193 (vs. gap), I194 (vs. gap)

6wprA Crystal structure of a putative 3-oxoacyl-acp reductase (fabg) with NADP(h) from acinetobacter baumannii (see paper)
33% identity, 92% coverage: 18:254/258 of query aligns to 9:241/244 of 6wprA

query
sites
6wprA

F

L

V

V

T

T

G
|
G

G

A

G
x
S

S
x
R

G
|
G

I
|
I

G

G

A

A

L

I

T

A

D

Q

G

Q

F

L

L

I

A

Q

Q

D

G

G

A

Y

Q

F

V

V

A

-

F

-

I

V

G

G

R

T

S
x
A

D
x
T

A

S

S

E

A

S

F

G

V

A

A

Q

K

K

M

L

R

T

A

D

A

S

H

F

G

G

R

E

A

Q

P

G

L

A

F

G

V

L

Q

A

G
x
L

D
|
D

I
x
V

T
x
R

D

N

T

L

D

D

A

E

L

I

R

E

A

A

A

V

I

V

A

S

Q

H

A

I

T

E

A

Q

A

N

H

Y

G

G

P

P

I

V

T

L

A

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

T

K

K

R

D

H

N

S

L

T

L

A

L

E

R

V

M

T

S

P

E

E

D

F

D

W

W

D

D

Q

D

M

I

Q

L

A

N

I
|
I

N
x
H

L

L

K

K

A

A

Y

V

F

Y

F

R

A

L

A

S

Q

K

A

R

V

V

T

L

P

K

G

G

M

M

A

T

E

K

A

A

G

R

G

F

G

G

A

R

I

I

V

I

N

N

F
x
I

S
|
S

I

V

S

V

Y

A

M

H

M

F

G

A

N

N

A

P

G

G

Y

Q

P

A

A

N

Y
|
Y

T

S

A

A

N
x
K

A

A

G

G

I

I

T

E

G

A

L

F

T

S

R

R

S

S

L

L

A

A

R

K

E

E

F

M

G

G

P

S

D

R

G

Q

I

I

R

T

V

V

N

N

A

S

L

V

A

A

P
|
P

G
|
G

W

F

V
x
I

L

A

T
|
T

P

-

K

-

Q

-

L

-

E

E

M

M

W

T

-

D

A

A

T

L

P

S

E

E

D

D

L

I

A

R

A

K

H

K

L

M

D

S

R

D

Q

Q

C

V

L

A

K

L

T

N

H

R

L

L

-

G

A

E

P

P

E

Q

D

D

I

I

V

A

E

N

A

A

T

V

L

S

F

F

L

L

A

A

S

S

G

D

A

K

S

A

K

G

M

Y

M

I

T

T

G

G

Q

T

C

V

M

L

V

H

V

V

D

N

G

G

V

L

active site: G16 (= G25), S138 (= S149), Y151 (= Y162)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G21), S14 (≠ G23), R15 (≠ S24), I17 (= I26), A36 (≠ S47), T37 (≠ D48), L58 (≠ G69), D59 (= D70), V60 (≠ I71), R61 (≠ T72), N86 (= N97), A87 (= A98), G88 (≠ A99), I89 (≠ N100), I109 (= I120), H110 (≠ N121), I136 (≠ F147), S137 (= S148), S138 (= S149), Y151 (= Y162), K155 (≠ N166), P181 (= P192), G182 (= G193), I184 (≠ V195), T186 (= T197)

6t62A Crystal structure of acinetobacter baumannii fabg in complex with NADPH at 1.8 a resolution (see paper)
33% identity, 92% coverage: 18:254/258 of query aligns to 9:241/244 of 6t62A

query
sites
6t62A

F

L

V

V

T

T

G
|
G

G

A

G
x
S

S
x
R

G
|
G

I
|
I

G

G

A

A

L

I

T

A

D

Q

G

Q

F

L

L

I

A

Q

Q

D

G

G

A

Y

Q

F

V

V

A

-

F

-

I

V

G

G

R

T

S
x
A

D
x
T

A

S

S

E

A

S

F

G

V

A

A

Q

K

K

M

L

R

T

A

D

A

S

H

F

G

G

R

E

A

Q

P

G

L

A

F

G

V

L

Q

A

G
x
L

D
|
D

I
x
V

T
x
R

D

N

T

L

D

D

A

E

L

I

R

E

A

A

A

V

I

V

A

S

Q

H

A

I

T

E

A

Q

A

N

H

Y

G

G

P

P

I

V

T

L

A

V

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N
x
I

D

T

K

K

R

D

H

N

S

L

T

L

A

L

E

R

V

M

T

S

P

E

E

D

F

D

W

W

D

D

Q

D

M

I

Q

L

A

N

I
|
I

N
x
H

L

L

K

K

A

A

Y

V

F

Y

F

R

A

L

A

S

Q

K

A

R

V

V

T

L

P

K

G

G

M

M

A

T

E

K

A

A

G

R

G

F

G

G

A

R

I

I

V

I

N

N

F
x
I

S
|
S

I

V

S

V

Y

A

M

H

M

F

G

A

N

N

A

P

G

G

Y

Q

P

A

A

N

Y
|
Y

T

S

A

A

N
x
K

A

A

G

G

I

I

T

E

G

A

L

F

T

S

R

R

S

S

L

L

A

A

R

K

E

E

F

M

G

G

P

S

D

R

G

Q

I

I

R

T

V

V

N

N

A

S

L

V

A

A

P
|
P

G
|
G

W

F

V
x
I

L

A

T
|
T

P

-

K

-

Q

-

L

-

E

E

M
|
M

W

T

-

D

A

A

T

L

P

S

E

E

D

D

L

I

A

R

A

K

H

K

L

M

D

S

R

D

Q

Q

C

V

L

A

K

L

T

N

H

R

L

L

-

G

A

E

P

P

E

Q

D

D

I

I

V

A

E

N

A

A

T

V

L

S

F

F

L

L

A

A

S

S

G

D

A

K

S

A

K

G

M

Y

M

I

T

T

G

G

Q

T

C

V

M

L

V

H

V

V

D

N

G

G

V

L

active site: G16 (= G25), S138 (= S149), Y151 (= Y162)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G21), S14 (≠ G23), R15 (≠ S24), I17 (= I26), A36 (≠ S47), T37 (≠ D48), L58 (≠ G69), D59 (= D70), V60 (≠ I71), R61 (≠ T72), N86 (= N97), A87 (= A98), G88 (≠ A99), I89 (≠ N100), I109 (= I120), H110 (≠ N121), I136 (≠ F147), S137 (= S148), S138 (= S149), Y151 (= Y162), K155 (≠ N166), P181 (= P192), G182 (= G193), I184 (≠ V195), T186 (= T197), M188 (= M203)

5t2uA Short chain dehydrogenase/reductase family protein (see paper)
36% identity, 94% coverage: 11:253/258 of query aligns to 3:237/241 of 5t2uA

query
sites
5t2uA

D

E

L

L

D

E

G

G

A

L

S

T

V

A

F

L

V

V

T

T

G
|
G

G

G

G
x
T

S
|
S

G
|
G

I
|
I

G

G

A

L

A

E

L

S

T

A

D

R

G

L

F

M

L

A

A

A

Q

E

G

G

A

A

Q

D

V

V

A

V

F

I

I

T

G
|
G

R
|
R

S
x
D

D

A

A

Q

S
x
R

A

G

F

E

V

Q

A

A

K

A

M

A

R

D

A

I

A

G

H

H

G

G

R

-

A

-

P

A

L

R

F

F

V

V

Q

Q

G
x
A

D
|
D

I
x
L

T

G

D

D

T

L

D

D

A

S

L

V

R

A

A

D

A

L

I

A

A

A

Q

Q

A

A

T

P

A

-

H

-

G

-

P

D

I

V

T

D

A

I

L

L

V

V

N

N

N
|
N

A
|
A

A
x
G

N

I

D
x
Y

K

P

R

Q

H

A

S

S

T

T

A

F

E

D

V

Q

T

D

P

V

E

A

F

G

W

F

D

Q

Q

Q

M

L

Q

F

A

D

I
x
T

N

N

L

V

K

R

A

G

Y

T

F

Y

F

F

A

L

A

V

Q

A

A

A

V

A

T

A

P

K

G

G

M

M

A

V

E

A

A

R

G

G

G

H

G

G

A

S

I

I

V

V

N

N

F
x
I

S
x
T

I

L

S

A

Y

A

M

H

M

K

G

G

N

F

A

P

G

G

Y
x
T

P

S

A

V

Y
|
Y

T

G

A

A

A

T

N
x
K

A

A

G

A

I

L

T

E

G

S

L

L

T

T

R

R

S

T

L

W

A

A

R

A

E

E

F

F

G

G

P

A

D

N

G

G

I

V

R

R

V

V

N

N

A

S

L

V

A

S

P
|
P

G
|
G

W
x
P

V
x
T

L

R

T
|
T

P

P

K
x
T

Q
x
T

L

L

E

E

M

Q

W

L

A

G

T

D

-

F

P

I

E

D

D

D

L

V

A

A

H

G

L

L

D

-

R

-

Q

-

C

P

L

L

K

R

T

R

H

T

L

A

A

A

P

P

E

E

D

E

I

I

V

A

E

Q

A

A

T

V

L

L

F

F

L

L

A

A

S

S

G

P

A

R

S

A

K

S

M

F

M

V

T

T

G

G

Q

S

C

T

M

L

V

Y

V

V

D

D

G

G

active site: G17 (= G25), T135 (≠ S149), T145 (≠ Y159), Y148 (= Y162), K152 (≠ N166)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G21), T15 (≠ G23), S16 (= S24), G17 (= G25), I18 (= I26), G37 (= G45), R38 (= R46), D39 (≠ S47), R42 (≠ S50), A59 (≠ G69), D60 (= D70), L61 (≠ I71), N83 (= N97), A84 (= A98), G85 (≠ A99), Y87 (≠ D101), T106 (≠ I120), I133 (≠ F147), T134 (≠ S148), T135 (≠ S149), Y148 (= Y162), K152 (≠ N166), P178 (= P192), G179 (= G193), P180 (≠ W194), T181 (≠ V195), T183 (= T197), T185 (≠ K199), T186 (≠ Q200)

P73826 Acetoacetyl-CoA reductase; EC 1.1.1.36 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
35% identity, 93% coverage: 12:252/258 of query aligns to 6:236/240 of P73826

query
sites
P73826

L

L

D

E

G

D

A

K

S

V

V

I

F

V

V

V

T

T

G

G

G

N

S

R

G

G

I

I

G

G

A

A

L

I

T

V

D

K

G

L

F

L

L

Q

A

E

Q

M

G

G

A

A

Q

K

V

V

A

A

F

F

I

T

-

D

-

L

-

A

-

T

-

D

-

G

G

G

R

N

S

T

D

E

A

A

S

L

A

G

F

V

V

V

A

A

K

-

M

-

R

-

A

-

H

-

G

-

R

-

A

-

P

-

L

-

F

-

V

-

Q

-

G

-

D

N

I

V

T

T

D

D

T

L

D

E

A

S

L

M

R

T

A

A

I

A

A

A

Q

E

A

I

T

T

A

D

A

K

H

L

G

G

P

P

I

V

T

Y

A

G

L

V

V

V

N

A

N

N

A

A

A

G

N

I

D

T

K

K

R

D

H

N

S

F

T

F

A

P

E

K

V

L

T

T

P

P

E

A

F

D

W

W

D

D

Q

A

M

V

Q

L

A

N

I

V

N

N

L

L

K

K

A

G

Y

V

F

A

F

Y

A

S

A

I

Q

K

A

P

V

F

T

I

P

E

G

G

M

M

A

Y

E

E

A

R

G

K

G

A

G

G

A

S

I

I

V

V

N

A

F

I

S

S

S
|
S

I

I

S

S

Y

G

M

E

M

R

G

G

N

N

A

V

G

G

Y

Q

P

T

A

N

Y
|
Y

T

S

A

A

A

T

N
x
K

A

A

G

G

I

V

T

I

G

G

L

M

T

M

R

K

S

S

L

L

A

A

R

R

E

E

F

G

G

A

P

R

D

Y

G

G

I

V

R

R

V

A

N

N

A

A

L

V

A

A

P

P

G

G

W

F

V

I

L

D

T

T

P

E

K

M

Q

T

L

L

E

-

M

-

W

-

A

A

T

I

P

R

E

E

D

D

L

I

A

R

A

E

H

K

L

I

D

T

R

K

Q

E

C

I

-

P

L

F

K

R

T

R

H

F

L

G

A

K

P

P

E

E

D

E

I

I

V

A

E

W

A

A

T

V

L

A

F

F

L

L

A

L

S

S

G

P

-

V

A

A

S

S

K

S

M

Y

M

V

T

T

G

G

Q

E

C

V

M

L

V

R

V

V

D

N

G

G

S134 (= S149) mutation to A: 12% enzymatic activity.
Y147 (= Y162) mutation to A: No enzymatic activity.
K151 (≠ N166) mutation to A: 5% enzymatic activity.

2ztlA Closed conformation of d-3-hydroxybutyrate dehydrogenase complexed with NAD+ and l-3-hydroxybutyrate (see paper)
35% identity, 94% coverage: 12:253/258 of query aligns to 2:256/260 of 2ztlA

query
sites
2ztlA

L

L

D

K

G

G

A

K

S

V

V

A

F

V

V

V

T

T

G
|
G

G

S

G
x
T

S
|
S

G
|
G

I
|
I

G

G

A

L

A

G

L

I

T

A

D

T

G

A

F

L

L

A

A

A

Q

Q

G

G

A

A

Q

D

V

I

A

V

F

L

I
x
N

G
|
G

R
x
F

S

G

D

D

A

A

S

-

A

A

F

E

V

I

A

E

K

K

M

V

R

R

A

A

A

G

-

L

-

A

-

Q

H

H

G

G

R

V

A

K

P

V

L

L

F

Y

V

D

Q

G

G
x
A

D
|
D

I
x
L

T

S

D

K

T

G

D

E

A

A

L

V

R

R

A

G

A

L

I

V

A

D

Q

N

A

A

T

V