SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 3609507 Dshi_2891 short-chain dehydrogenase/reductase SDR (RefSeq) 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)

6b9uA Crystal structure of 3-ketoacyl-(acyl-carrier-protein) reductase from brucella melitensis complexed with nadh
53% identity, 99% coverage: 3:242/242 of query aligns to 2:244/244 of 6b9uA

query
sites
6b9uA

L

L

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E

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G

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I

active site: G15 (= G16), S142 (= S133), L152 (= L143), Y155 (= Y146), K159 (= K150)
binding 1,4-dihydronicotinamide adenine dinucleotide: G11 (= G12), S14 (= S15), G15 (= G16), F16 (= F17), D35 (= D36), R36 (≠ I37), D37 (≠ N38), A57 (vs. gap), D58 (= D57), I59 (≠ V58), N85 (= N80), A86 (= A81), G87 (= G82), I88 (= I83), V109 (= V104), V140 (≠ I131), A141 (= A132), S142 (= S133), Y155 (= Y146), K159 (= K150), P185 (= P176), V186 (= V177), A187 (= A178), G188 (= G179), T190 (= T181), P191 (= P182), L192 (= L183), F196 (= F187)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
43% identity, 99% coverage: 1:239/242 of query aligns to 6:249/258 of 4wecA

query
sites
4wecA

M

Q

R

R

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L

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A

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G

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K

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A

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x
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active site: G21 (= G16), S143 (= S133), Q154 (≠ K142), Y157 (= Y146), K161 (= K150)
binding nicotinamide-adenine-dinucleotide: G17 (= G12), A19 (≠ G14), S20 (= S15), G21 (= G16), I22 (≠ F17), D41 (= D36), I42 (= I37), D43 (≠ N38), V61 (= V56), D62 (= D57), V63 (= V58), N89 (= N80), A90 (= A81), G91 (= G82), I92 (= I83), T141 (≠ I131), A142 (= A132), S143 (= S133), Y157 (= Y146), K161 (= K150), P187 (= P176), G188 (≠ V177), P189 (≠ A178), V190 (≠ G179)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
39% identity, 98% coverage: 2:239/242 of query aligns to 4:241/244 of 4nbuB

query
sites
4nbuB

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R

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active site: G18 (= G16), N111 (= N105), S139 (= S133), Q149 (≠ L143), Y152 (= Y146), K156 (= K150)
binding acetoacetyl-coenzyme a: T91 (= T84), D93 (≠ P87), K98 (≠ E92), S139 (= S133), T141 (≠ A135), N146 (≠ R140), V147 (≠ P141), G148 (≠ K142), Q149 (≠ L143), Y152 (= Y146), F184 (≠ A178), M189 (≠ L183), K200 (= K198)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G12), A16 (≠ G14), N17 (≠ S15), G18 (= G16), I19 (≠ F17), D38 (= D36), F39 (≠ I37), N40 (= N38), V59 (= V56), D60 (= D57), V61 (= V58), N87 (= N80), A88 (= A81), G89 (= G82), I90 (= I83), V110 (= V104), T137 (≠ I131), S138 (≠ A132), S139 (= S133), Y152 (= Y146), K156 (= K150), P182 (= P176), G183 (≠ V177), F184 (≠ A178), T185 (≠ G179), T187 (= T181), A188 (≠ P182), M189 (≠ L183), V190 (≠ L184)

4bmsF Short chain alcohol dehydrogenase from ralstonia sp. Dsm 6428 in complex with NADPH
36% identity, 98% coverage: 2:239/242 of query aligns to 3:245/249 of 4bmsF

query
sites
4bmsF

R

R

L

L

E

L

G

N

K

K

T

T

A

A

I

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V

I

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G

G

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x
N

S
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S

G

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x
I

G

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K

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F

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E

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Y

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x
G

I
x
R

N
x
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L

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L

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A

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L

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G

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A

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F

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G

active site: S137 (= S133), H147 (≠ L143), Y150 (= Y146), K154 (= K150), Q195 (vs. gap)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G12), N15 (≠ G14), S16 (= S15), I18 (≠ F17), G37 (≠ D36), R38 (≠ I37), R39 (≠ N38), A59 (≠ V56), D60 (= D57), V61 (= V58), T62 (≠ S59), N87 (= N80), S88 (≠ A81), G89 (= G82), V110 (= V104), T135 (≠ I131), S136 (≠ A132), S137 (= S133), Y150 (= Y146), K154 (= K150), P180 (= P176), G181 (≠ V177), A182 (= A178), I183 (≠ G179), T185 (= T181), P186 (= P182), I187 (≠ L183)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
38% identity, 99% coverage: 1:239/242 of query aligns to 3:251/255 of 5itvA

query
sites
5itvA

M

M

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N

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K

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x
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I

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A

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G

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G

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-

E

-

A

A

A

D

C

S

Q

M

H

A

A

A

V

L

E

A

S

E

A

A

V

H

H

-

T

-

F

G

G

A

G

P

L

D

D

I

V

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

-

H

E

L

I

P

V

K

A

P

P

M

I

E

H

E

E

V

M

T

E

E

L

E

S

E

D

F

W

D

N

R

K

V

V

L

L

A

Q

V
|
V

N

N

A

L

K

T

S

G

V

M

Y

F

L

L

S

M

A

S

R

K

V

H

F

A

V

L

P

K

A

H

M

M

K

L

A

A

R

A

G

G

S

K

G

G

A

N

I

I

L

I

N

N

I
x
T

A
x
C

S
|
S

T

V

A

G

G

G

V

L

S

V

P

A

R

W

P

P

K

D

L

I

N

P

W

A

Y
|
Y

N

N

A

A

S

S

K
|
K

G

G

W

G

M

V

I

L

T

Q

A

L

T

T

K

K

A

S

M

M

A

A

V

V

E

D

L

Y

A

A

P

K

F

H

G

Q

I

I

R

R

V

V

N

N

A

C

L

V

N

C

P
|
P

V
x
G

A
x
I

G
x
I

E

D

T
|
T

P

P

L
|
L

-
x
N

L

E

A

K

S

S

F

F

M

L

-

E

-

N

G

N

E

E

D

G

T

T

P

L

E

E

M

E

R

I

A

K

K

K

F

E

L

K

A

A

T

K

I

V

-

N

P

P

L

L

G

L

R

R

F

L

S

G

Q

K

P

P

E

E

D

E

L

I

G

A

N

N

A

V

A

M

A

L

F

F

L

L

C

A

S

S

D

D

E

L

A

S

S

S

M

Y

I

M

T

T

G

G

V

S

A

A

M

I

E

T

V

A

D

D

G

G

G

G

active site: G18 (= G16), S141 (= S133), Y154 (= Y146), K158 (= K150)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G12), A16 (≠ G14), S17 (= S15), G18 (= G16), I19 (≠ F17), D38 (= D36), I39 (= I37), T61 (≠ V56), D62 (= D57), I63 (≠ V58), N89 (= N80), A90 (= A81), G91 (= G82), I92 (= I83), V112 (= V104), T139 (≠ I131), C140 (≠ A132), S141 (= S133), Y154 (= Y146), K158 (= K150), P184 (= P176), G185 (≠ V177), I186 (≠ A178), I187 (≠ G179), T189 (= T181), L191 (= L183), N192 (vs. gap)

6ihhA Crystal structure of rasadh f12 from ralstonia.Sp in complex with NADPH and a6o
36% identity, 98% coverage: 2:239/242 of query aligns to 3:245/249 of 6ihhA

query
sites
6ihhA

R

R

L

L

E

L

G

N

K

K

T

T

A

A

I

V

V

I

T

T

G
|
G

G

G

G
x
N

S
|
S

G
|
G

F
x
I

G

G

A

L

G

A

I

T

V

A

R

K

K

R

F

F

A

V

A

A

E

E

G

G

A

A

Q

Y

V

V

I

F

V

I

A

V

D
x
G

I
x
R

N
x
R

K

R

G

K

A

E

A

L

E

E

A

Q

V

A

A

A

E

A

E

E

Y

I

G

G

G

R

-

N

-

V

T

T

A

A

A

V

Q

K

V
x
A

D
|
D

V
|
V

S

T

-

K

-

L

-

E

D

D

A

L

D

D

S

R

M

L

A

Y

A

A

L

I

A

V

-

R

E

E

A

Q

H

R

G

G

A

S

P

I

D

D

I

V

L

L

V

F

N

A

N
|
N

A
x
S

G
|
G

I

A

T

V

H

E

L

-

P

Q

K

K

P

T

M

L

E

E

E

E

V

I

T

T

E

P

E

E

E

H

F

Y

D

D

R

R

V

T

L

F

A

D

V
|
V

N

N

A

V

K

R

S

G

V

L

Y

I

L

F

S

T

A

V

R

Q

V

K

F

A

V

L

P

P

A

L

M

L

K

-

A

-

R

R

G

D

S

G

G

G

A

S

I

V

L

I

N

L

I
x
T

A

S

S
|
S

T

V

A

A

G

G

V

V

S

L

P

G

R
x
L

P

Q

K

A

L
x
H

N

D

W

T

Y
|
Y

N

S

A

A

S

A

K
|
K

G

A

W

A

M

V

I

R

T

S

A

L

T

A

K

R

A

T

M

W

A

T

V

T

E

E

L

L

A

K

P

G

F

R

G

S

I

I

R

R

V

V

N

N

A

A

L

V

N

S

P
|
P

V
x
G

A
|
A

G
x
I

E

D

T
|
T

P
|
P

L
x
S

L
|
L

A

E

S

N

F

N

M

V

G

S

-

T

-

Q

E

E

D

E

T

A

P

D

E

E

M
x
L

R

R

A

A

K
|
K

F
x
A

L

A

A

A

T

A

I

T

P

P

L

L

G

G

R

R

F

V

S

G

Q

R

P

P

E

E

D

E

L

L

G

A

N

A

A

A

A

V

A

L

F

F

L

L

C

A

S

S

D

D

E

D

A

S

S

S

M

Y

I

V

T

A

G

G

V

I

A

E

M

L

E

F

V

V

D

D

G

G

G

G

binding (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one: S137 (= S133), L144 (≠ R140), H147 (≠ L143), Y150 (= Y146), G181 (≠ V177), A182 (= A178), S187 (≠ L183), L188 (= L184), L201 (≠ M195), K204 (= K198), A205 (≠ F199)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G12), N15 (≠ G14), S16 (= S15), G17 (= G16), I18 (≠ F17), G37 (≠ D36), R38 (≠ I37), R39 (≠ N38), A59 (≠ V56), D60 (= D57), V61 (= V58), N87 (= N80), S88 (≠ A81), G89 (= G82), V110 (= V104), T135 (≠ I131), S137 (= S133), Y150 (= Y146), K154 (= K150), P180 (= P176), G181 (≠ V177), A182 (= A178), I183 (≠ G179), T185 (= T181), P186 (= P182), S187 (≠ L183), L188 (= L184)

Sites not aligning to the query:

binding (2R,3S)-2-ethyl-2-[(2E)-2-(6-methoxy-3,4-dihydro-2H-naphthalen-1-ylidene)ethyl]-3-oxidanyl-cyclopentan-1-one: 246

3lqfA Crystal structure of the short-chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD and erythritol (see paper)
40% identity, 100% coverage: 1:242/242 of query aligns to 7:253/254 of 3lqfA

query
sites
3lqfA

M

F

R

R

L

L

E

D

G

G

K

A

T

C

A

A

I

A

V

V

T

T

G
|
G

G

A

G
|
G

S
|
S

G
|
G

F
x
I

G

G

A

L

G

E

I

I

V

C

R

R

K

A

F

F

A

A

A

A

E

S

G

G

A

A

Q

R

V

L

I

I

V

L

A

I

D
|
D

I
x
R

N
x
E

K

A

G

A

A

A

A

L

E

D

A

R

V

A

A

A

E

Q

E

E

Y

L

G

G

-

A

G

A

T

V

A

A

A

A

Q

R

V

I

-

V

-
x
A

D
|
D

V
|
V

S

T

D

D

A

A

D

E

S

A

M

M

A

T

A

A

L

A

A

A

E

A

A

E

H

A

G

E

A

A

P

V

-

A

-

P

-

V

D

S

I

I

L

L

V

V

N

N

N
x
S

A
|
A

G
|
G

I
|
I

T
x
A

H

R

L

L

P

H

K

D

P

A

M

L

E

-

E

E

V

T

T

D

E

D

E

A

E

T

F

W

D

R

R

Q

V

V

L

M

A

A

V
|
V

N

N

A

V

K

D

S

G

V

M

Y

F

L

W

S

A

A

S

R

R

V

A

F

F

V

G

P

R

A

A

M

M

K

V

A

A

R

R

G

G

S

A

G

G

A

A

I

I

L

V

N

N

I
x
L

A
x
G

S
|
S

T

M

A

S

G

G

-

T

V

I

S

V

P
x
N

R

R

P

P

K
x
Q

L

F

-

A

N

S

W

S

Y
|
Y

N

M

A

A

S

S

K
|
K

G

G

W

A

M

V

I

H

T

Q

A

L

T

T

K

R

A

A

M

L

A

A

V

A

E

E

L

W

A

A

P

G

F

R

G

G

I

V

R

R

V

V

N

N

A

A

L

L

N

A

P
|
P

V

-

A

-

G
|
G

E
x
Y

T
x
V

P

A

L
x
T

L
x
E

A
x
M

S
x
T

F

L

M

K

G
x
M

E

R

D

E

T

R

P

P

E

E

M

L

R

F

A

E

K

T

F

W

L

L

A

D

T

M

I

T

P

P

L

M

G

G

R

R

F

C

S

G

Q

E

P

P

E

S

D

E

L

I

G

A

N

A

A

A

A

A

A

L

F

F

L

L

C

A

S

S

D

P

E

A

A

A

S

S

M

Y

I

V

T

T

G

G

V

A

A

I

M

L

E

A

V

V

D

D

G

G

G

G

R

Y

C

T

I

V

active site: G22 (= G16), S144 (= S133), Y159 (= Y146), K163 (= K150)
binding meso-erythritol: A96 (≠ T84), N151 (≠ P139), Q154 (≠ K142), Y159 (= Y146), Y191 (≠ E180), M196 (≠ A185), T197 (≠ S186), M200 (≠ G189)
binding nicotinamide-adenine-dinucleotide: G18 (= G12), G20 (= G14), S21 (= S15), G22 (= G16), I23 (≠ F17), D42 (= D36), R43 (≠ I37), E44 (≠ N38), A65 (vs. gap), D66 (= D57), V67 (= V58), S92 (≠ N80), A93 (= A81), G94 (= G82), I95 (= I83), V115 (= V104), L142 (≠ I131), G143 (≠ A132), S144 (= S133), Y159 (= Y146), K163 (= K150), P189 (= P176), G190 (= G179), Y191 (≠ E180), V192 (≠ T181), T194 (≠ L183), E195 (≠ L184), M196 (≠ A185), T197 (≠ S186)

2wsbA Crystal structure of the short-chain dehydrogenase galactitol-dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD (see paper)
40% identity, 100% coverage: 1:242/242 of query aligns to 7:253/254 of 2wsbA

query
sites
2wsbA

M

F

R

R

L

L

E

D

G

G

K

A

T

C

A

A

I

A

V

V

T

T

G
|
G

G

A

G
|
G

S
|
S

G
|
G

F
x
I

G

G

A

L

G

E

I

I

V

C

R

R

K

A

F

F

A

A

A

A

E

S

G

G

A

A

Q

R

V

L

I

I

V

L

A

I

D
|
D

I
x
R

N
x
E

K

A

G

A

A

A

A

L

E

D

A

R

V

A

A

A

E

Q

E

E

Y

L

G

G

-

A

G

A

T

V

A

A

A

A

Q

R

V

I

-

V

-
x
A

D
|
D

V
|
V

S

T

D

D

A

A

D

E

S

A

M

M

A

T

A

A

L

A

A

A

E

A

A

E

H

A

G

E

A

A

P

V

-

A

-

P

-

V

D

S

I

I

L

L

V

V

N

N

N
x
S

A
|
A

G
|
G

I
|
I

T
x
A

H

R

L

L

P

H

K

D

P

A

M

L

E

-

E

E

V

T

T

D

E

D

E

A

E

T

F

W

D

R

R

Q

V

V

L

M

A

A

V
|
V

N

N

A

V

K

D

S

G

V

M

Y

F

L

W

S

A

A

S

R

R

V

A

F

F

V

G

P

R

A

A

M

M

K

V

A

A

R

R

G

G

S

A

G

G

A

A

I

I

L

V

N

N

I
x
L

A
x
G

S
|
S

T
x
M

A
x
S

G

G

-

T

V

I

S

V

P
x
N

R

R

P

P

K
x
Q

L

F

-

A

N

S

W

S

Y
|
Y

N

M

A

A

S

S

K
|
K

G

G

W

A

M

V

I

H

T

Q

A

L

T

T

K

R

A

A

M

L

A

A

V

A

E

E

L

W

A

A

P

G

F

R

G

G

I

V

R

R

V

V

N

N

A

A

L

L

N

A

P
|
P

V

-

A

-

G
|
G

E
x
Y

T
x
V

P

A

L
x
T

L
x
E

A
x
M

S
x
T

F

L

M

K

G

M

E

R

D

E

T

R

P

P

E

E

M

L

R

F

A

E

K

T

F

W

L

L

A

D

T

M

I

T

P

P

L

M

G

G

R

R

F

C

S

G

Q

E

P

P

E

S

D

E

L

I

G

A

N

A

A

A

A

A

A

L

F

F

L

L

C

A

S

S

D

P

E

A

A

A

S

S

M

Y

I

V

T

T

G

G

V

A

A

I

M

L

E

A

V

V

D

D

G

G

G

G

R

Y

C

T

I

V

active site: G22 (= G16), S144 (= S133), Y159 (= Y146), K163 (= K150)
binding nicotinamide-adenine-dinucleotide: G18 (= G12), G20 (= G14), S21 (= S15), G22 (= G16), I23 (≠ F17), D42 (= D36), R43 (≠ I37), E44 (≠ N38), A65 (vs. gap), D66 (= D57), V67 (= V58), S92 (≠ N80), A93 (= A81), G94 (= G82), I95 (= I83), V115 (= V104), L142 (≠ I131), G143 (≠ A132), S144 (= S133), Y159 (= Y146), K163 (= K150), P189 (= P176), G190 (= G179), Y191 (≠ E180), V192 (≠ T181), T194 (≠ L183), E195 (≠ L184), M196 (≠ A185), T197 (≠ S186)
binding n-propanol: A96 (≠ T84), S144 (= S133), M145 (≠ T134), S146 (≠ A135), N151 (≠ P139), N151 (≠ P139), Q154 (≠ K142), Y159 (= Y146), Y159 (= Y146), G190 (= G179), Y191 (≠ E180)

2wdzA Crystal structure of the short chain dehydrogenase galactitol-dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD+ and 1,2-pentandiol (see paper)
40% identity, 100% coverage: 1:242/242 of query aligns to 7:253/254 of 2wdzA

query
sites
2wdzA

M

F

R

R

L

L

E

D

G

G

K

A

T

C

A

A

I

A

V

V

T

T

G
|
G

G

A

G
|
G

S
|
S

G
|
G

F
x
I

G

G

A

L

G

E

I

I

V

C

R

R

K

A

F

F

A

A

A

A

E

S

G

G

A

A

Q

R

V

L

I

I

V

L

A

I

D
|
D

I
x
R

N

E

K
x
A

G

A

A

A

A
x
L

E
x
D

A

R

V

A

A

A

E

Q

E

E

Y

L

G

G

-

A

G

A

T

V

A

A

A

A

Q
x
R

V

I

-
x
V

-
x
A

D
|
D

V
|
V

S
x
T

D

D

A

A

D

E

S

A

M

M

A

T

A

A

L

A

A

A

E

A

A

E

H

A

G

E

A

A

P

V

-

A

-

P

-

V

D

S

I

I

L

L

V

V

N

N

N
x
S

A
|
A

G
|
G

I

I

T

A

H

R

L

L

P

H

K

D

P

A

M

L

E

-

E

E

V

T

T

D

E

D

E

A

E

T

F

W

D

R

R

Q

V

V

L

M

A

A

V
|
V

N

N

A

V

K

D

S

G

V

M

Y

F

L

W

S

A

A

S

R

R

V

A

F

F

V

G

P

R

A

A

M

M

K

V

A

A

R

R

G

G

S

A

G

G

A

A

I

I

L

V

N

N

I
x
L

A
x
G

S
|
S

T

M

A
x
S

G

G

-

T

V

I

S

V

P
x
N

R

R

P

P

K

Q

L

F

-

A

N

S

W

S

Y
|
Y

N

M

A

A

S

S

K
|
K

G

G

W

A

M

V

I

H

T

Q

A

L

T

T

K

R

A

A

M

L

A

A

V

A

E

E

L

W

A

A

P

G

F

R

G

G

I

V

R

R

V

V

N

N

A

A

L

L

N

A

P
|
P

V

-

A

-

G
|
G

E
x
Y

T
x
V

P

A

L
x
T

L
x
E

A
x
M

S
x
T

F

L

M

K

G

M

E

R

D

E

T

R

P

P

E

E

M

L

R

F

A

E

K

T

F

W

L

L

A

D

T

M

I

T

P

P

L

M

G

G

R

R

F

C

S

G

Q

E

P

P

E

S

D

E

L

I

G

A

N

A

A

A

A

A

A

L

F

F

L

L

C

A

S

S

D

P

E

A

A

A

S

S

M

Y

I

V

T

T

G

G

V

A

A

I

M

L

E

A

V

V

D

D

G

G

G

G

R

Y

C

T

I

V

active site: G22 (= G16), S144 (= S133), Y159 (= Y146), K163 (= K150)
binding (2S)-pentane-1,2-diol: A45 (≠ K39), L48 (≠ A42), D49 (≠ E43), R62 (≠ Q55), V64 (vs. gap), S144 (= S133), S146 (≠ A135), N151 (≠ P139), Y159 (= Y146), Y191 (≠ E180)
binding nicotinamide-adenine-dinucleotide: G18 (= G12), G20 (= G14), S21 (= S15), G22 (= G16), I23 (≠ F17), D42 (= D36), R43 (≠ I37), A65 (vs. gap), D66 (= D57), V67 (= V58), T68 (≠ S59), S92 (≠ N80), A93 (= A81), G94 (= G82), V115 (= V104), L142 (≠ I131), G143 (≠ A132), S144 (= S133), Y159 (= Y146), K163 (= K150), P189 (= P176), G190 (= G179), Y191 (≠ E180), V192 (≠ T181), T194 (≠ L183), E195 (≠ L184), M196 (≠ A185), T197 (≠ S186)

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)
40% identity, 100% coverage: 1:242/242 of query aligns to 7:253/254 of C0KTJ6

query
sites
C0KTJ6

M

F

R

R

L

L

E

D

G

G

K

A

T

C

A

A

I

A

V

V

T

T

G

G

G

A

G

G

S
|
S

G
|
G

F
x
I

G

G

A

L

G

E

I

I

V

C

R

R

K

A

F

F

A

A

A

A

E

S

G

G

A

A

Q

R

V

L

I

I

V

L

A

I

D
|
D

I

R

N

E

K

A

G

A

A

A

A

L

E

D

A

R

V

A

A

A

E

Q

E

E

Y

L

G

G

-

A

G

A

T

V

A

A

A

A

Q

R

V

I

-

V

-

A

D
|
D

V
|
V

S

T

D

D

A

A

D

E

S

A

M

M

A

T

A

A

L

A

A

A

E

A

A

E

H

A

G

E

A

A

P

V

-

A

-

P

-

V

D

S

I

I

L

L

V

V

N

N

N

S

A

A

G

G

I

I

T

A

H

R

L

L

P

H

K

D

P

A

M

L

E

-

E

E

V

T

T

D

E

D

E

A

E

T

F

W

D

R

R

Q

V

V

L

M

A

A

V

V

N

N

A

V

K

D

S

G

V

M

Y

F

L

W

S

A

A

S

R

R

V

A

F

F

V

G

P

R

A

A

M

M

K

V

A

A

R

R

G

G

S

A

G

G

A

A

I

I

L

V

N

N

I

L

A

G

S

S

T

M

A

S

G

G

-

T

V

I

S

V

P

N

R

R

P

P

K

Q

L

F

-

A

N

S

W

S

Y
|
Y

N

M

A

A

S

S

K
|
K

G

G

W

A

M

V

I

H

T

Q

A

L

T

T

K

R

A

A

M

L

A

A

V

A

E

E

L

W

A

A

P

G

F

R

G

G

I

V

R

R

V

V

N

N

A

A

L

L

N

A

P

P

V

-

A

-

G

G

E

Y

T
x
V

P
x
A

L
x
T

L

E

A

M

S

T

F

L

M

K

G

M

E

R

D

E

T

R

P

P

E

E

M

L

R

F

A

E

K

T

F

W

L

L

A

D

T

M

I

T

P

P

L

M

G

G

R

R

F

C

S

G

Q

E

P

P

E

S

D

E

L

I

G

A

N

A

A

A

A

A

A

L

F

F

L

L

C

A

S

S

D

P

E

A

A

A

S

S

M

Y

I

V

T

T

G

G

V

A

A

I

M

L

E

A

V

V

D

D

G

G

G

G

R

Y

C

T

I

V

SGI 21:23 (≠ SGF 15:17) binding
D42 (= D36) binding
DV 66:67 (= DV 57:58) binding
Y159 (= Y146) binding
K163 (= K150) binding
VAT 192:194 (≠ TPL 181:183) binding

Sites not aligning to the query:

254 binding

Q6WVP7 NADP-dependent (R)-specific alcohol dehydrogenase; (R)-specific ADH; Ketoreductase; KRED; EC 1.1.1.- from Lentilactobacillus kefiri (Lactobacillus kefiri) (see paper)
37% identity, 98% coverage: 2:239/242 of query aligns to 4:248/252 of Q6WVP7

query
sites
Q6WVP7

R

R

L

L

E

K

G

G

K

K

T

V

A

A

I

I

V

V

T

T

G

G

G

G

G
x
T

S
x
L

G
|
G

F
x
I

G

G

A

L

G

A

I

I

V

A

R

D

K

K

F

F

A

V

A

E

E

E

G

G

A

A

Q

K

V

V

I

V

V

I

A

T

D

G

I
x
R

N
x
H

K

A

G

D

A

V

A

G

E

E

A

K

V

A

A

A

E

K

E

S

Y

I

G

G

G

G

T

T

A

D

-

V

-

I

-

R

-

F

A

V

Q

Q

V

H

D
|
D

V
x
A

S

S

D

D

A

E

D

A

S

G

M

W

A

T

A

K

L

L

-

F

-

D

-

T

-

T

A

E

E

E

A

A

H

F

G

G

A

P

P

V

D

T

I

T

L

V

V

V

N

N

N
|
N

A

A

G

G

I

I

T

A

H

-

L

V

P

S

K

K

P

S

M

V

E

E

E

D

V

T

T

T

E

T

E

E

E

E

F

W

D

R

R

K

V

L

L

L

A

S

V

V

N

N

A

L

K

D

S

G

V

V

Y

F

L

F

S

G

A

T

R

R

V

L

F

G

V

I

P

Q

A

R

M

M

K

K

A

N

R

K

G

G

S

L

G

G

A

A

-

S

I

I

L

I

N

N

I

M

A

S

S

S

T

I

A

E

G

G

V

F

S

V

P

G

R

D

P

P

K

T

L

L

N

G

W

A

Y
|
Y

N

N

A

A

S

S

K
|
K

G

G

W

A

M

V

I

R

T

I

A

M

T

S

K

K

A

S

M

A

A

A

V

L

E

D

-

C

-

A

L

L

A

K

P

D

F

Y

G

D

I

V

R

R

V

V

N

N

A

T

L

V

N

H

P

P

V

G

A

Y

G
x
I

E
x
K

T
|
T

P
|
P

L
|
L

L

V

A

D

S

D

F

L

M

E

G

G

E

A

D

E

T

-

P

-

E

E

M

M

R

M

A

S

K

Q

F

R

L

T

A

K

T

T

I

-

P

P

L

M

G

G

R

H

F

I

S

G

Q

E

P

P

E

N

D

D

L

I

G

A

N

W

A

I

A

C

A

V

F

Y

L

L

C

A

S

S

D

D

E

E

A

S

S

K

M

F

I

A

T

T

G

G

V

A

A

E

M

F

E

V

V

V

D

D

G

G

G

G

TLGI 16:19 (≠ GSGF 14:17) binding
RH 39:40 (≠ IN 37:38) binding
DA 63:64 (≠ DV 57:58) binding
N90 (= N80) binding
Y156 (= Y146) binding
K160 (= K150) binding
IKTPL 191:195 (≠ GETPL 179:183) binding

Sites not aligning to the query:

252 binding

8cxaA Crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from mycobacterium smegmatis with bound NAD
38% identity, 99% coverage: 1:239/242 of query aligns to 1:247/251 of 8cxaA

query
sites
8cxaA

M

V

R

R

L

L

E

A

G

N

K

R

T

V

A

A

I

I

V

I

T

T

G
|
G

G

A

G
x
A

S
x
Q

G
|
G

F
x
I

G

G

A

R

G

I

I

Y

V

A

R

E

K

R

F

F

A

A

A

E

E

E

G

G

A

A

Q

A

V

V

I

V

V

V

A

A

D
|
D

I
|
I

N

N

K

E

G

P

A

K

A

A

E

T

A

E

V

V

A

A

E

S

E

S

-

I

-

T

-

S

Y

L

G

G

G

G

-

R

-

A

T

I

A

A

A

A

Q

A

V
|
V

D
|
D

V
|
V

S

S

D

D

A

V

D

E

S

S

M

V

A

N

A

R

L

M

A

V

-

D

-

S

-

A

-

V

E

E

A

A

H

F

G

G

A

T

P

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
x
A

I
|
I

-
x
F

-
x
S

T

T

H

L

L

K

P

M

K

K

P

P

M

F

E

E

E

E

V

I

T

S

E

G

E

D

E

E

F

W

D

D

R

K

V

L

L

F

A

A

V
|
V

N

N

A

A

K

K

S

G

V

T

Y

F

L

L

S

C

A

C

R

Q

V

A

F

V

V

S

P

P

A

V

M

M

K

R

A

K

R

N

G

Q

S

Y

G

G

A

R

I

I

L

I

N

N

I
|
I

A
x
S

S
|
S

T

S

A

V

G

V

V

V

S

T

P

G

R

R

P

P

K

N

L

Y

N

A

W

H

Y
|
Y

N

I

A

A

S

S

K
|
K

G

G

W

A

M

V

I

W

T

A

A

L

T

T

K

H

A

A

M

L

A

A

V

T

E

E

L

M

A

G

P

T

F

D

G

G

I

I

R

T

V

V

N

N

A

T

L

V

N

S

P
|
P

V
x
H

A
x
G

G
x
I

E

I

T

T

P

E

L
x
I

L

P

A

R

S

E

F

T

M

I

G

S

E

E

D

-

T

-

P

-

E

E

M

G

R

W

A

R

K

R

F

N

L

L

A

E

T

E

I

Q

P

A

L

L

G

K

R

R

F

K

S

G

Q

D

P

A

E

S

D

D

L

L

G

V

N

G

A

I

A

L

A

L

F

Y

L

L

C

A

S

S

D

D

E

E

A

S

S

K

M

F

I

M

T

T

G

G

V

Q

A

T

M

V

E

A

V

L

D

D

G

A

G

G

binding nicotinamide-adenine-dinucleotide: G12 (= G12), A14 (≠ G14), Q15 (≠ S15), G16 (= G16), I17 (≠ F17), D36 (= D36), I37 (= I37), V61 (= V56), D62 (= D57), V63 (= V58), N89 (= N80), A90 (= A81), A91 (≠ G82), I92 (= I83), F93 (vs. gap), S94 (vs. gap), V115 (= V104), I142 (= I131), S143 (≠ A132), S144 (= S133), Y157 (= Y146), K161 (= K150), P187 (= P176), H188 (≠ V177), G189 (≠ A178), I190 (≠ G179), I194 (≠ L183)

5yssB Crystal structure of aminocaproic acid cyclase in complex with NAD (+) (see paper)
39% identity, 98% coverage: 3:239/242 of query aligns to 2:251/255 of 5yssB

query
sites
5yssB

L

L

E

T

G

G

K

K

T

T

A

A

I

L

V

V

T

T

G
|
G

G

S

G
x
T

S
|
S

G
|
G

F
x
I

G

G

A

L

G

G

I

I

V

A

R

Q

K

V

F

L

A

A

A

Q

E

A

G

G

A

A

Q

T

V

L

I

I

V

L

-
x
N

-
x
G

-
x
F

A

G

D

D

I

V

N

D

K

-

G

A

A

A

A

K

E

D

A

A

V

V

A

A

E

Q

E

-

Y

Y

G

G

G

K

T

T

A

P

A

G

Q

Y

-

H

-

G

V
x
A

D
|
D

V
x
L

S

S

D

D

-

E

-

A

-

Q

-

I

A

A

D

D

S

M

M

M

A

R

A

Y

L

A

A

E

E

S

A

E

H

F

G

G

A

G

P

V

D

D

I

I

L

L

V

I

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

Q

H

H

L

V

P

-

K

S

P

P

M

I

E

E

E

T

V

F

T

P

E

V

E

D

E

K

F

W

D

N

R

A

V

I

L

I

A

A

V
x
I

N

N

A

L

K

S

S

S

V

V

Y

F

L

H

S

T

A

T

R

R

V

L

F

A

V

L

P

P

A

G

M

M

K

R

A

A

R

R

G

N

S

W

G

G

A

R

I

I

L

I

N

N

I
|
I

A
|
A

S
|
S

T

V

A

H

G

G

V

L

S

V

P

A

R

S

P

K

K

E

L

K

N

S

W

A

Y
|
Y

N

V

A

A

S

A

K
|
K

G

H

W

G

M

V

I

V

T

G

A

L

T

T

K

K

A

T

M

I

A

A

V

L

E

E

L

T

A

A

P

Q

F

T

G

E

I

I

R

T

V

C

N

N

A

A

L

L

N

C

P
|
P

V
x
G

A
x
W

G
x
V

E

L

T
|
T

P
|
P

L
|
L

L

V

A

Q

S

Q

F

Q

M

I

G

D

E

K

D

R

T

I

P

A

E

E

-

G

-

A

-

E

-

P

-

E

-

A

M

A

R

R

A

D

K

A

F

L

L

L

A

A

-

E

T

K

I

Q

P

P

L

S

G

R

R

E

F

F

S

V

Q

T

P

P

E

E

D

Q

L

L

G

G

N

N

A

L

A

A

A

L

F

F

L

L

C

C

S

S

D

D

E

G

A

A

S

A

M

Q

I

V

T

R

G

G

V

V

A

A

M

W

E

N

V

M

D

D

G

G

G

G

binding nicotinamide-adenine-dinucleotide: G11 (= G12), T13 (≠ G14), S14 (= S15), G15 (= G16), I16 (≠ F17), N34 (vs. gap), G35 (vs. gap), F36 (vs. gap), A58 (≠ V56), D59 (= D57), L60 (≠ V58), N86 (= N80), A87 (= A81), G88 (= G82), I89 (= I83), I109 (≠ V104), I136 (= I131), A137 (= A132), S138 (= S133), Y151 (= Y146), K155 (= K150), P181 (= P176), G182 (≠ V177), W183 (≠ A178), V184 (≠ G179), T186 (= T181), P187 (= P182), L188 (= L183)

7djsD Crystal structure of isopiperitenol dehydrogenase from pseudomonas aeruginosa complexed with NAD
40% identity, 98% coverage: 3:239/242 of query aligns to 3:247/251 of 7djsD

query
sites
7djsD

L

L

E

S

G

G

K

Q

T

V

A

A

I

L

V

V

T

T

G
|
G

G

G

G
x
A

S
x
A

G
|
G

F
x
I

G

G

A

R

G

A

I

T

V

A

R

Q

K

A

F

F

A

A

A

A

E

A

G

G

A

V

Q

K

V

V

I

V

V

V

A

A

D
|
D

I
x
L

N

D

K

S

G

A

A

G

A

G

E

E

A

G

V

T

A

V

E

E

-

A

-

I

-

R

E

Q

Y

A

G

G

G

G

T

E

A

A

A

V

-

F

-

I

Q

R

V
x
C

D
|
D

V
|
V

S
x
T

D

R

A

D

D

A

S

E

M

V

A

K

A

A

L

L

A

V

E

E

-

G

-

C

-

A

-

A

A

A

H

Y

G

G

A

R

P

L

D

D

I

Y

L

A

V

F

N

N

N
|
N

A
|
A

G
|
G

I
|
I

T

E

H

I

L

E

P

Q

K

G

P

K

M

L

E

A

E

D

V

G

T

N

E

E

E

A

E

E

F

F

D

D

R

A

V

I

L

M

A

A

V
|
V

N

N

A

V

K

K

S

G

V

V

Y

W

L

L

S

C

A

M

R

K

V

H

F

Q

V

I

P

P

A

L

M

M

K

L

A

A

R

Q

G

G

S

G

G

G

A

A

I

I

L

V

N

N

I
x
T

A

A

S
|
S

T

V

A

A

G

G

V

L

S

G

P

A

R

A

P

P

K

K

L

M

N

S

W

I

Y
|
Y

N

A

A

A

S

S

K
|
K

G

H

W

A

M

V

I

I

T

G

A

L

T

T

K

K

A

S

M

A

A

A

V

I

E

E

L

Y

A

A

P

K

F

K

G

G

I

I

R

R

V

V

N

N

A

A

L

V

N

C

P
|
P

V
x
A

A
x
V

G
x
I

E

D

T
|
T

P

D

L

M

L

F

A

R

S

R

F

A

M

Y

G

-

E

E

D

A

T

D

P

P

E

R

M

-

R

K

A

A

K

E

F

F

L

A

A

A

T

A

I

M

-

H

P

P

L

L

G

G

R

R

F

V

S

G

Q

R

P

V

E

E

D

E

L

I

G

A

N

A

A

A

A

V

A

L

F

Y

L

L

C

C

S

S

D

D

E

N

A

A

S

G

M

F

I

T

T

T

G

G

V

I

A

A

M

L

E

P

V

V

D

D

G

G

G

G

binding nicotinamide-adenine-dinucleotide: G12 (= G12), A14 (≠ G14), A15 (≠ S15), G16 (= G16), I17 (≠ F17), D36 (= D36), L37 (≠ I37), C61 (≠ V56), D62 (= D57), V63 (= V58), T64 (≠ S59), N89 (= N80), A90 (= A81), G91 (= G82), I92 (= I83), V113 (= V104), T140 (≠ I131), S142 (= S133), Y155 (= Y146), K159 (= K150), P185 (= P176), A186 (≠ V177), V187 (≠ A178), I188 (≠ G179), T190 (= T181)

1ahhA 7 alpha-hydroxysteroid dehydrogenase complexed with NAD+ (see paper)
38% identity, 99% coverage: 1:239/242 of query aligns to 7:249/253 of 1ahhA

query
sites
1ahhA

M

L

R

R

L

L

E

D

G

G

K

K

T

C

A

A

I

I

V

I

T

T

G
|
G

G

A

G
|
G

S
x
A

G
|
G

F
x
I

G

G

A

K

G

E

I

I

V

A

R

I

K

T

F

F

A

A

A

T

E

A

G

G

A

A

Q

S

V

V

I

V

V

V

A

S

D
|
D

I
|
I

N

N

K

A

G

D

A

A

A

A

E

N

A

H

V

V

A

V

E

D

E

E

-

I

-

Q

-

Q

Y

L

G

G

G

G

T

Q

-

A

-

F

A

A

A

C

Q

R

V
x
C

D
|
D

V
x
I

S

T

D

S

A

E

D

Q

S

E

M

L

A

S

A

A

L

L

A

A

E

D

-

F

-

A

-

I

-

S

A

K

H

L

G

G

A

K

P

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

I

-

T
x
G

H

G

L

G

P

P

K

K

P

P

M

F

E

-

E

D

V

M

T

P

E

M

E

A

E

D

F

F

D

R

R

R

V

A

L

Y

A

E

V

L

N

N

A

V

K

F

S

S

V

F

Y

F

L

H

S

L

A

S

R

Q

V

L

F

V

V

A

P

P

A

E

M

M

K

E

A

K

R

N

G

G

S

G

G

G

A

V

I

I

L

L

N

T

I
|
I

A
x
T

S
|
S

T

M

A

A

G

A

V

E

S

N

P

K

R

N

P

I

K

N

L
x
M

N

T

W

S

Y
|
Y

N

A

A

S

S

S

K
|
K

G

A

W

A

M

A

I

S

T

H

A

L

T

V

K

R

A

N

M

M

A

A

V

F

E

D

L

L

A

G

P

E

F

K

G

N

I

I

R

R

V

V

N

N

A

G

L

I

N

A

P
|
P

V
x
G

A
|
A

G
x
I

E

L

T
|
T

P

D

L

A

L

L

A

K

S

S

F

V

M

I

G

-

E

-

D

-

T

T

P

P

E

E

M

I

R

E

A

Q

K

K

F

M

L

L

A

Q

T

H

I

T

P

P

L

I

G

R

R

R

F

L

S

G

Q

Q

P

P

E

Q

D

D

L

I

G

A

N

N

A

A

A

A

A

L

F

F

L

L

C

C

S

S

D

P

E

A

A

A

S

S

M

W

I

V

T

S

G

G

V

Q

A

I

M

L

E

T

V

V

D

S

G

G

G

G

active site: G22 (= G16), S146 (= S133), M156 (≠ L143), Y159 (= Y146), K163 (= K150)
binding nicotinamide-adenine-dinucleotide: G18 (= G12), G20 (= G14), A21 (≠ S15), G22 (= G16), I23 (≠ F17), D42 (= D36), I43 (= I37), C67 (≠ V56), D68 (= D57), I69 (≠ V58), N95 (= N80), A96 (= A81), G97 (= G82), G98 (≠ T84), I144 (= I131), T145 (≠ A132), S146 (= S133), Y159 (= Y146), K163 (= K150), P189 (= P176), G190 (≠ V177), A191 (= A178), I192 (≠ G179), T194 (= T181)

1ahiA 7 alpha-hydroxysteroid dehydrogenase complexed with nadh and 7-oxo glycochenodeoxycholic acid (see paper)
38% identity, 99% coverage: 1:239/242 of query aligns to 7:249/255 of 1ahiA

query
sites
1ahiA

M

L

R

R

L

L

E

D

G

G

K

K

T

C

A

A

I

I

V

I

T

T

G
|
G

G

A

G
|
G

S
x
A

G
|
G

F
x
I

G

G

A

K

G

E

I

I

V

A

R

I

K

T

F

F

A

A

A

T

E

A

G

G

A

A

Q