SitesBLAST

7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
38% identity, 97% coverage: 1:245/252 of query aligns to 6:253/253 of 7v0hG

query
sites
7v0hG

M

M

S

S

H

K

L

L

N

A

G

G

K

K

V

V

A

A

V

I

V

V

T

T

G
|
G

G

A

N
x
S

S
x
K

G
|
G

I
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I

G

G

Y

A

S

A

T

I

A

A

K

K

K

A

L

L

K

A

E

D

E

E

G

G

A

A

Q

A

V

V

I

V

T
x
N

G
x
Y

R
x
A

S
|
S

-
x
S

-

K

-

A

-

G

A

A

E

D

K

A

V

V

N

V

V

S

A

A

A

I

A

T

E

E

L

A

G

G

-

G

-

R

V

A

T

V

G

A

I

V

T

G

A
x
G

D
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D

V
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V

L

S

E

K

L

A

A

A

A

D

I

A

D

Q

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R

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D

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Y

G

G

H

R

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L

D

D

I

V

L

L

F

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V

N

N
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N

A
x
S

G
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G

I
x
V

F
x
Y

L

E

P
x
F

A

A

P

P

I

I

G

E

Q

A

T

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T

T

E

E

D

E

L

H

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M

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x
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N

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F

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G

A

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L

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G

D

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G

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G

A

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S

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N

N

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x
I

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x
V

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x
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A

T

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P

N

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Y
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Y

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K
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K

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E

L

L

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P

P

R

R

K

K

I

I

R

R

V

V

N

N

A

A

V

I

N

N

P
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P

G
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G

P
x
M

V
x
I

Y

V

T
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T

P
x
E

I
x
G

F
x
T

S

H

K

S

T

A

G

G

M
x
I

S

I

E

G

D

S

Q

D

L

L

N

E

G

-

M

-

A

-

A

A

A

Q

M
x
V

Q

L

N

G

R

Q

I

T

P

P

L

L

K

G

R

R

Y

L

G

G

K

E

P

P

E

N

D

D

I

I

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A

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F

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L

A

A

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G

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N

N

binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G13), S20 (≠ N15), K21 (≠ S16), G22 (= G17), I23 (= I18), N41 (≠ T36), Y42 (≠ G37), A43 (≠ R38), S44 (= S39), S45 (vs. gap), G68 (≠ A57), D69 (= D58), V70 (= V59), N96 (= N85), S97 (≠ A86), G98 (= G87), V99 (≠ I88), Y100 (≠ F89), T119 (≠ I108), I144 (≠ L133), S145 (= S134), S146 (= S135), Y159 (= Y148), K163 (= K152), P189 (= P178), G190 (= G179), M191 (≠ P180), I192 (≠ V181), T194 (= T183), E195 (≠ P184), G196 (≠ I185), T197 (≠ F186)
binding (2R)-2-(hydroxymethyl)pentanedioic acid: Y100 (≠ F89), F102 (≠ P91), S146 (= S135), V147 (≠ I136), V148 (≠ N137), Y159 (= Y148), G190 (= G179), M191 (≠ P180), I202 (≠ M191), V211 (≠ M203)

6j7uA Crystal structure of blue fluorescent protein from metagenomic library in complex with NADPH (see paper)
39% identity, 96% coverage: 3:243/252 of query aligns to 2:244/247 of 6j7uA

query
sites
6j7uA

H

N

L

L

N

N

G

G

K

K

V

V

A

A

V

F

V

V

T

T

G
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G

G

G

N
x
S

S
x
R

G
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G

I
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I

G

G

Y

A

S

A

T

I

A

V

K

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L

K

A

E

A

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D

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x
Y

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S

A

A

E

S

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x
S

V

K

N

N

V

V

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A

-

L

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V

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Q

E

E

L

L

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G

-

R

-

A

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R

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x
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L

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Y

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M

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Y

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G

active site: G16 (= G17), S142 (= S135), Y156 (= Y148)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (≠ N15), R15 (≠ S16), G16 (= G17), I17 (= I18), Y36 (≠ G37), V37 (≠ R38), S38 (= S39), S41 (≠ K42), A64 (= A57), D65 (= D58), S66 (≠ V59), N92 (= N85), A93 (= A86), G94 (= G87), I115 (= I108), I140 (≠ L133), G141 (≠ S134), S142 (= S135), Y156 (= Y148), K160 (= K152), P186 (= P178), G187 (= G179), P188 (= P180), I189 (≠ V181), T191 (= T183), D192 (≠ P184), M193 (≠ I185), N194 (≠ F186)

3pk0B Crystal structure of short-chain dehydrogenase/reductase sdr from mycobacterium smegmatis (see paper)
38% identity, 96% coverage: 1:243/252 of query aligns to 5:250/262 of 3pk0B

query
sites
3pk0B

M

M

S

F

H

D

L

L

N

Q

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G

K

R

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S

A

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V

V

T

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G

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K

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K

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L

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x
D

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F

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D

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C

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N

N

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A

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K

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A

G

S

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S

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G

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Y

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M

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G

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M

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M

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G

active site: G21 (= G17), S147 (= S135), W158 (≠ T145), Y161 (= Y148), K165 (= K152)
binding calcium ion: D55 (≠ G51), G58 (vs. gap), G60 (vs. gap)

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, 96% coverage: 3:243/252 of query aligns to 4:248/252 of Q6WVP7

query
sites
Q6WVP7

H

R

L

L

N

K

G

G

K

K

V

V

A

A

V

I

V

V

T

T

G

G

N
x
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x
L

G
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G

I
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I

G

G

Y

L

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A

T

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A

A

K

D

K

K

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F

K

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E

G

G

A

A

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x
H

A

A

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N

E

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A

A

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x
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A
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A

A

S

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D

E

A

A

A

G

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N

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A

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M

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N

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G

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K

D

N

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K

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-

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G

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A

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S

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I

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N

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Y

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K

A

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A

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x
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x
L

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K

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M

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D

D

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D

L

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N

E

G

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M

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M

M

M

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G

TLGI 16:19 (≠ NSGI 15:18) binding
RH 39:40 (≠ RS 38:39) binding
DA 63:64 (≠ LA 62:63) binding
N90 (= N85) binding
Y156 (= Y148) binding
K160 (= K152) binding
IKTPL 191:195 (≠ VYTPI 181:185) binding

Sites not aligning to the query:

252 binding

7ejiB Crystal structure of kred f147l/l153q/y190p/l199a/m205f/m206f variant and methyl methacrylate complex
36% identity, 96% coverage: 3:243/252 of query aligns to 3:247/251 of 7ejiB

query
sites
7ejiB

H

R

L

L

N

K

G

G

K

K

V

V

A

A

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I

V

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T

T

G
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G

G

G

N
x
T

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x
L

G
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G

I
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I

G

G

Y

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A

T

I

A

A

K

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G

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G
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R

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x
H

A

A

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N

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A

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G

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x
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T

V

G

G

M

D

P

P

N

T

T

Q

S

G

I

A

Y
|
Y

G

N

A

A

S

S

K
|
K

A

G

A

A

L

V

N

R

S

I

Y

M

T

S

R

K

T

S

A

A

T

L

E

D

L

C

A

A

P

L

R

K

-

D

-

Y

K

D

I

V

R

R

V

V

N

N

A

T

V

V

N

H

P
|
P

G
|
G

P
|
P

V
x
I

Y

K

T
|
T

P
|
P

I
x
L

F
x
V

S

D

K

D

T

A

G

E

M

G

S

A

E

E

D

E

Q

F

L
x
F

N

-

G

-

M

-

A

-

A

S

M

Q

Q

R

N

T

R

K

I

T

P

P

L

M

K

G

R

H

Y

I

G

G

K

E

P

P

E

N

D

D

I

I

A

A

E

W

L

I

V

C

A

V

F

Y

L

L

A

A

S

S

D

D

R

E

A

S

S

K

F

F

I

A

T

T

G

G

A

A

E

E

Y

F

N

V

I

V

D

D

G

G

binding methyl 2-methylprop-2-enoate: S142 (= S135), I143 (= I136), E144 (≠ N137), Y155 (= Y148), P189 (= P180), F205 (≠ L196)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), T15 (≠ N15), L16 (≠ S16), G17 (= G17), I18 (= I18), G37 (= G37), R38 (= R38), H39 (≠ S39), H61 (≠ E61), D62 (≠ L62), A63 (= A63), N89 (= N85), A90 (= A86), G91 (= G87), V112 (≠ I108), M140 (≠ L133), S141 (= S134), S142 (= S135), Y155 (= Y148), K159 (= K152), P187 (= P178), G188 (= G179), P189 (= P180), I190 (≠ V181), T192 (= T183), P193 (= P184), L194 (≠ I185), V195 (≠ F186)

7ejhA Crystal structure of kred mutant-f147l/l153q/y190p/l199a/m205f/m206f and 2-hydroxyisoindoline-1,3-dione complex
36% identity, 96% coverage: 3:243/252 of query aligns to 5:249/253 of 7ejhA

query
sites
7ejhA

H

R

L

L

N

K

G

G

K

K

V

V

A

A

V

I

V

V

T

T

G
|
G

G

G

N
x
T

S
x
L

G
|
G

I
|
I

G

G

Y

L

S

A

T

I

A

A

K

D

K

K

L

F

K

V

E

E

G

G

A

A

Q

K

V

V

I

V

I

I

T

T

G
|
G

R
|
R

S
x
H

A

A

E

D

K

V

V

G

N

E

V

K

A

A

A

K

E

S

L

I

G

G

V

G

T

T

G

D

I

V

T

I

A

R

D

F

V

V

L

Q

E
x
H

L
x
D

A
|
A

A

S

I

D

D

E

A

A

A

G

V

W

N

T

Q

K

V

L

-

F

-

D

-

T

K

E

A

E

D

A

F

F

G

G

H

P

V

V

D

T

I

T

L

V

F

V

V

N

N
|
N

A
|
A

G
|
G

I
|
I

F

A

L

V

P

S

A

K

P

S

I

V

G

E

Q

D

T

T

E

T

D

E

L

E

F

W

D

R

Q

K

Q

L

M

L

D

S

I
x
V

N

N

L

L

K

D

G

G

A

V

V

F

F

F

T

G

I

T

E

R

K

L

F

G

L

I

P

Q

I

R

L

M

K

K

D

N

-

K

-

G

-

L

G

G

G

A

S

S

I

I

N

N

L
x
M

S
|
S

I
|
I

N
x
E

A

G

Y

L

T

V

G

G

M

D

P

P

N

T

T

Q

S

G

I

A

Y
|
Y

G

N

A

A

S

S

K
|
K

A

G

A

A

L

V

N

R

S

I

Y

M

T

S

R

K

T

S

A

A

T

L

E

D

L

C

A

A

P

L

R

K

-

D

-

Y

K

D

I

V

R

R

V

V

N

N

A

T

V

V

N

H

P
|
P

G
|
G

P
|
P

V
x
I

Y

K

T
|
T

P
|
P

I
x
L

F
x
V

S

D

K

D

T

A

G

E

M

G

S

A

E

E

D

E

Q

F

L
x
F

N

-

G

-

M

-

A

-

A

S

M

Q

Q

R

N

T

R

K

I

T

P

P

L

M

K

G

R

H

Y

I

G

G

K

E

P

P

E

N

D

D

I

I

A

A

E

W

L

I

V

C

A

V

F

Y

L

L

A

A

S

S

D

D

R

E

A

S

S

K

F

F

I

A

T

T

G

G

A

A

E

E

Y

F

N

V

I

V

D

D

G

G

binding 2-oxidanylisoindole-1,3-dione: S144 (= S135), I145 (= I136), E146 (≠ N137), Y157 (= Y148), P191 (= P180), V197 (≠ F186), F207 (≠ L196)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G13), T17 (≠ N15), L18 (≠ S16), G19 (= G17), I20 (= I18), G39 (= G37), R40 (= R38), H41 (≠ S39), H63 (≠ E61), D64 (≠ L62), A65 (= A63), N91 (= N85), A92 (= A86), G93 (= G87), I94 (= I88), V114 (≠ I108), M142 (≠ L133), S143 (= S134), S144 (= S135), Y157 (= Y148), K161 (= K152), P189 (= P178), G190 (= G179), P191 (= P180), I192 (≠ V181), T194 (= T183), P195 (= P184), L196 (≠ I185), V197 (≠ F186)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
40% identity, 98% coverage: 3:249/252 of query aligns to 7:258/258 of 4wecA

query
sites
4wecA

H

R

L

L

N

A

G

G

K

K

V

V

A

A

V

V

V

I

T

T

G
|
G

G

G

N
x
A

S
|
S

G
|
G

I
|
I

G

G

Y

L

S

A

T

T

A

G

K

R

L

L

K

R

E

A

E

E

G

G

A

A

Q

T

V

V

I

V

T

G

G
x
D

R
x
I

S
x
D

A

P

E

T

K

T

V

G

N

K

V

A

A

A

A

D

E

E

L

L

G

E

V

G

T

L

G

F

I

V

T

P

A
x
V

D
|
D

V
|
V

L

S

E

E

L

Q

A

E

A

A

I

V

D

D

A

N

A

L

V

F

N

D

Q

T

V

A

K

A

A

S

D

T

F

F

G

G

H

R

V

V

D

D

I

I

L

A

F

F

V

N

N
|
N

A
|
A

G
|
G

I
|
I

F

S

L

P

P

P

A

E

P

D

-

D

-

L

I

I

G

E

Q

N

T

T

T

D

E

L

D

P

L

A

F

W

D

Q

Q

R

Q

V

M

Q

D

D

I

I

N

N

L

L

K

K

G

S

A

V

V

Y

F

L

T

S

-

C

-

R

-

A

I

L

E

R

K

H

F

M

L

V

P

P

I

A

L

G

K

K

D

-

G

-

G

G

S

S

I

I

N

N

L
x
T

S
x
A

S
|
S

I

F

N

V

A

A

Y

V

T

M

G

G

M

S

P

A

N

T

T

S

S
x
Q

I

I

-

S

Y
|
Y

G

T

A

A

S

S

K
|
K

A

G

L

V

N

L

S

A

Y

M

T

S

R

R

T

E

A

L

A

G

T

V

E

Q

L

Y

A

A

P

R

R

Q

K

G

I

I

R

R

V

V

N

N

A

A

V

L

N

C

P
|
P

G
|
G

P
|
P

V
|
V

Y

N

T

T

P

P

I

L

F

L

S

Q

K

E

T

L

G

F

M

A

S

K

E

D

D

P

Q

E

L

-

N

-

G

-

M

R

A

A

A

R

M

R

Q

L

N

V

R

H

I

I

P

P

L

L

K

G

R

R

Y

F

G

A

K

E

P

P

E

E

D

E

I

L

A

A

E

A

L

A

V

V

A

A

F

F

L

L

A

A

S

S

D

D

R

D

A

A

S

S

F

F

I

I

T

T

G

G

A

S

E

T

Y

F

N

L

I

V

D

D

G

G

T

I

N

S

-

S

-

A

-

Y

V

V

N

T

P

P

L

L

active site: G21 (= G17), S143 (= S135), Q154 (≠ S146), Y157 (= Y148), K161 (= K152)
binding nicotinamide-adenine-dinucleotide: G17 (= G13), A19 (≠ N15), S20 (= S16), G21 (= G17), I22 (= I18), D41 (≠ G37), I42 (≠ R38), D43 (≠ S39), V61 (≠ A57), D62 (= D58), V63 (= V59), N89 (= N85), A90 (= A86), G91 (= G87), I92 (= I88), T141 (≠ L133), A142 (≠ S134), S143 (= S135), Y157 (= Y148), K161 (= K152), P187 (= P178), G188 (= G179), P189 (= P180), V190 (= V181)

Q9BTZ2 Dehydrogenase/reductase SDR family member 4; NADPH-dependent carbonyl reductase; CR; NADPH-dependent retinol dehydrogenase/reductase; NRDR; humNRDR; Peroxisomal short-chain alcohol dehydrogenase; PSCD; SCAD-SRL; Short chain dehydrogenase/reductase family 25C member 2; Protein SDR25C2; Short-chain dehydrogenase/reductase family member 4; EC 1.1.1.184 from Homo sapiens (Human) (see 2 papers)
36% identity, 96% coverage: 4:244/252 of query aligns to 30:274/278 of Q9BTZ2

query
sites
Q9BTZ2

L

L

N

A

G

N

K

K

V

V

A

A

V

L

V

V

T

T

G

A

G

S

N

T

S

D

G

G

I

I

G

G

Y

F

S

A

T

I

A

A

K

R

L

L

K

A

E

Q

E

D

G

G

A

A

Q

H

V

V

I

V

T

S

G

S

R

R

S

K

A

Q

E

Q

K

N

V

V

N

D

V

Q

A

A

A

V

A

A

E

T

L

L

-

Q

-

G

-

E

-

G

-

L

G

S

V

V

T

T

G

G

I

T

T

V

A

C

D

H

V

V

L

G

E

K

L

A

A

E

A

D

I

R

D

E

A

R

A

L

V

V

N

A

Q

T

V

A

K

V

A

K

D

L

F

H

G

G

H

G

V

I

D

D

I

I

L

L

F

V

V

S

N

N

A

A

G

A

I

V

-

N

-

P

F

F

L

F

P

-

A

G

P

S

I

I

G

M

Q

D

T

V

T

T

E

E

D

E

L

V

F

W

D

D

Q

K

Q

T

M

L

D

D

I

I

N

N

L

V

K

K

G

A

A

P

V

A

F

L

T

M

I

T

E

K

K

A

F

V

L

V

P

P

I

E

L

M

-

E

-

K

K

R

D

G

G

G

S

S

I

V

N

I

L

V

S

S

I

I

N

A

A

A

Y

F

T

S

G

P

M
x
S

P

P

N

G

T
x
F

S

S

I

P

Y

Y

G

N

A

V

S

S

K

K

A

T

A

A

L

L

N

L

S

G

Y

L

T

T

R

K

T
|
T

A

L

A

A

T

I

E

E

L

L

A

A

P

P

R

R

K

N

I

I

R

R

V

V

N

N

A

C

V

L

N

A

P

P

G

G

P

L

V

I

Y

K

T

T

P

S

I

F

F

S

S

R

K

M

T

L

G

W

M

M

S

D

E

K

D

E

Q

K

L

-

N

-

G

-

M

-

A

E

A

S

M

M

Q

K

N

E

R

T

I

L

P

R

L

I

K

R

R

R

Y

L

G

G

K

E

P

P

E

E

D

D

I

C

A

A

E

G

L

I

V

V

A

S

F

F

L

L

A

C

S

S

D

E

R

D

A

A

S

S

F

Y

I

I

T

T

G

G

A

E

E

T

Y

V

N

V

I

V

D

G

G

G

T

T

S176 (≠ M142) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to F: Decreased reduction activity for benzil, isatin and retinal and increased activity for 5beta-Pregnane-3,20-dione and 5beta-Dihydrotestosterone. No change of stereoselectivity in 3-ketosteroids reduction and no change in 3beta-hydroxysteroid oxidation. Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with L-179. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with L-179. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with L-179. Loss of cold catalytic inactivation; when associated with L-179 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with L-179 and N-195.
F179 (≠ T145) Responsible for the stereoselective reduction of 3-ketosteroids into 3beta-hydroxysteroids and benzil into R-benzoin; mutation to L: Decreased reduction activity for isatin and increased activity for 5beta-Pregnane-3,20-dione, 5beta-Dihydrotestosterone, benzil and retinal; when associated with F-176. Change in stereoselective activity by the reduction of 5beta-Pregnane-3,20-dione predominantly to the 3alpha-hydroxysteroid; when associated with F-176. Switch from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176. Loss of cold catalytic inactivation; when associated with F-176 and N-195. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and N-195.
T195 (= T161) mutation to N: Loss of cold catalytic inactivation. Loss of cold catalytic inactivation; when associated with F-176 and L-179. Switch in stereoselective activity from 3beta-hydroxysteroid to 3alpha-hydroxysteroid oxidation; when associated with F-176 and L-179. Increased reduction activity for renital and oxidation activity for retinol; when associated with F-176 and L-179.

5t5qC Crystal structure of short-chain dehydrogenase/reductase sdr:glucose/ribitol dehydrogenase from brucella melitensis
36% identity, 96% coverage: 3:243/252 of query aligns to 4:241/245 of 5t5qC

query
sites
5t5qC

H

E

L

F

N

E

G

N

K

R

V

T

A

L

V

V

V

L

T

T

G

G

G

A

N
|
N

S
x
G

G
|
G

I
|
I

G

G

Y

R

S

A

T

I

A

A

K

E

K

L

L

F

K

H

E

A

E

S

G

G

A

A

Q

N

V

L

I

V

I

L

T

T

G
x
D

R
x
L

S
x
D

A

R

E

E

K

G

V

L

N

D

V

A

A

F

A

A

E

S

L

L

G

G

-

S

-

P

-

E

-

R

V

I

T

A

G

T

I

I

T

K

A
|
A

D
|
D

V
x
A

L

S

E

S

L

A

A

D

I

A

D

E

A

K

A

T

V

V

N

A

Q

L

V

A

K

M

A

E

D

R

F

F

G

G

H

G

V

I

D

D

I

F

L

L

F

V

V

P

N
x
S

A
|
A

G
|
G

I
|
I

F

Y

L

Q

P

A

A

K

P

P

I

F

G

A

Q

E

T

M

T

S

E

D

D

A

L

D

F

W

D

H

Q

R

Q

T

M

I

D

S

I
|
I

N

N

L

L

K

D

G

G

A

V

V

F

F

Y

T

L

I

C

E

K

K

R

F

A

L

L

P

P

I

A

L

L

K

K

D

E

G

D

G

S

S

S

I

I

I

V

N

T

L
|
L

S
x
A

S
|
S

I

L

N

A

A

A

Y

Y

T

R

G

G

M

A

P

Y

N

V

T
x
N

S

A

I

H

Y
|
Y

G

G

A

A

S

T

K
|
K

A

G

A

A

L

M

N

V

S

S

Y

M

T

T

R

R

T

A

A

L

A

S

T

R

E

E

L

L

A

A

P

P

R

-

K

K

I

T

R

R

V

V

N

N

A

G

V

V

N

S

P
|
P

G
|
G

P

I

V
x
I

Y

E

T
|
T

P

P

I
x
M

F

T

S

S

-

E

-

L

K

K

T

T

G

R

M

M

S

D

E

E

D

-

Q

-

L

-

N

-

G

-

M

-

A

-

M

T

Q

M

N

T

R

Q

I

T

P

P

L

L

K

K

R

R

Y

L

G

G

K

K

P

P

E

S

D

E

I

I

A

A

E

S

L

V

V

I

A

A

F

F

L

L

A

C

S

S

D

P

R

A

A

A

S

S

F

F

I

V

T

T

G

G

A

E

E

T

Y

I

N

Q

I

V

D

N

G

G

active site: G18 (= G17), S140 (= S135), N150 (≠ T145), Y153 (= Y148), K157 (= K152)
binding nicotinamide-adenine-dinucleotide: N16 (= N15), G17 (≠ S16), G18 (= G17), I19 (= I18), D38 (≠ G37), L39 (≠ R38), D40 (≠ S39), A62 (= A57), D63 (= D58), A64 (≠ V59), S90 (≠ N85), A91 (= A86), G92 (= G87), I93 (= I88), I113 (= I108), L138 (= L133), A139 (≠ S134), S140 (= S135), Y153 (= Y148), K157 (= K152), P182 (= P178), G183 (= G179), I185 (≠ V181), T187 (= T183), M189 (≠ I185)

6ci9D Rmm microcompartment-associated aminopropanol dehydrogenase NADP + aminoacetone holo-structure (see paper)
37% identity, 96% coverage: 1:243/252 of query aligns to 4:248/259 of 6ci9D

query
sites
6ci9D

M

F

S

T

H

S

L

L

N

E

G

G

K

R

V

S

A

A

V

I

V

V

T

T

G
|
G

G

G

N
x
S

S
x
K

G
|
G

I
|
I

G

G

Y

R

S

G

T

I

A

A

K

E

K

T

L

F

K

A

E

N

E

A

G

G

A

V

Q

D

V

V

I

V

I

I

T

T

G
|
G

R
|
R

S
x
N

A

Q

E

D

K

D

V

L

N

D

V

R

A

T

A

V

A

A

E

D

L

L

G

S

-

G

-

T

-

R

-

G

-

K

V

V

T

T

G

A

I

V

T

R

A
|
A

D
|
D

V
|
V

L

T

E

D

L

P

A

E

A

D

I

A

D

R

A

R

A

T

V

V

N

A

Q

E

V

T

K

V

A

S

D

R

F

H

G

G

H

G

V

L

D

D

I

I

L

V

F

C

V

A

N
|
N

A
|
A

G
|
G

I
|
I

F
|
F

L

P

P

S

A

G

P

R

I

L

G

E

Q

D

T

L

T

T

E

P

D

D

L

D

F

I

D

E

Q

Q

Q

V

M

L

D

G

I
x
V

N

N

L

F

K

K

G

G

A

T

V

V

F

Y

T

I

I

V

E

Q

K

A

F

A

L

L

P

Q

I

A

L

L

-

T

-

A

K

S

D

G

G

H

G

G

S

R

I

V

N

V

L
x
T

S
|
S

I

I

N
x
T

A

G

-

P

Y

I

T

T

G

G

M

Y

P

P

N

G

T
x
W

S

S

I

H

Y
|
Y

G

G

A

A

S

S

K
|
K

A

A

L

Q

N

L

S

G

Y

F

T

L

R

R

T

T

A

A

T

M

E

E

L

L

A

A

P

P

R

K

K

K

I

I

R

T

V

I

N

N

A

A

V

V

N

L

P
|
P

G
|
G

P
x
N

V
x
I

Y

M

T
|
T

P
x
E

I
x
G

F
x
L

S

D

K

E

T

-

G

-

M

M

S

G

E

Q

D

D

Q

Y

L

L

N

D

G

Q

M

M

A

A

A

S

A

A

M

-

Q

-

N

-

R

-

I

I

P

P

L

A

K

G

R

R

Y

L

G

G

K

S

P

V

E

A

D

D

I

I

A

G

E

N

L

A

V

A

A

L

F

F

L

F

A

A

S

T

D

D

R

E

A

A

S

A

F

Y

I

V

T

T

G

G

A

Q

E

T

Y

L

N

V

I

V

D

D

G

G

active site: G20 (= G17), S145 (= S135), Y159 (= Y148)
binding 1-aminopropan-2-one: F97 (= F89), S145 (= S135), T147 (≠ N137), W156 (≠ T145), Y159 (= Y148), G190 (= G179), N191 (≠ P180)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), S18 (≠ N15), K19 (≠ S16), G20 (= G17), I21 (= I18), G40 (= G37), R41 (= R38), N42 (≠ S39), A65 (= A57), D66 (= D58), V67 (= V59), N93 (= N85), A94 (= A86), G95 (= G87), I96 (= I88), F97 (= F89), V116 (≠ I108), T143 (≠ L133), S144 (= S134), S145 (= S135), Y159 (= Y148), K163 (= K152), P189 (= P178), G190 (= G179), N191 (≠ P180), I192 (≠ V181), T194 (= T183), E195 (≠ P184), G196 (≠ I185), L197 (≠ F186)

3o4rA Crystal structure of human dehydrogenase/reductase (sdr family) member 4 (dhrs4)
36% identity, 96% coverage: 4:244/252 of query aligns to 6:250/254 of 3o4rA

query
sites
3o4rA

L

L

N

A

G

N

K

K

V

V

A

A

V

L

V

V

T

T

G
x
A

G

S

N
x
T

S
x
D

G
|
G

I
|
I

G

G

Y

F

S

A

T

I

A

A

K

R

L

L

K

A

E

Q

E

D

G

G

A

A

Q

H

V

V

I

V

T

S

G
x
S

R
|
R

S
x
K

A

Q

E

Q

K
x
N

V

V

N

D

V

Q

A

A

A

V

A

A

E

T

L

L

-

Q

-

G

-

E

-

G

-

L

G

S

V

V

T

T

G

G

I

T

T

V

A
x
C

D
x
H

V
|
V

L

G

E

K

L

A

A

E

A

D

I

R

D

E

A

R

A

L

V

V

N

A

Q

T

V

A

K

V

A

K

D

L

F

H

G

G

H

G

V

I

D

D

I

I

L

L

F

V

V

S

N
|
N

A
|
A

G
x
A

I

V

-

N

-

P

F

F

L

F

P

-

A

G

P

S

I

I

G

M

Q

D

T

V

T

T

E

E

D

E

L

V

F

W

D

D

Q

K

Q

T

M

L

D

D

I

I

N

N

L

V

K

K

G

A

A

P

V

A

F

L

T

M

I

T

E

K

K

A

F

V

L

V

P

P

I

E

L

M

-

E

-

K

K

R

D

G

G

G

S

S

I

V

N

I

L
x
V

S
|
S

I

I

N

A

A

A

Y

F

T

S

G

P

M

S

P

P

N

G

T
x
F

S

S

I

P

Y
|
Y

G

N

A

V

S

S

K
|
K

A

T

A

A

L

L

N

L

S

G

Y

L

T

T

R

K

T

T

A

L

A

A

T

I

E

E

L

L

A

A

P

P

R

R

K

N

I

I

R

R

V

V

N

N

A

C

V

L

N

A

P
|
P

G
|
G

P
x
L

V
x
I

Y

K

T
|
T

P
x
S

I
x
F

F
x
S

S

R

K

M

T

L

G

W

M

M

S

D

E
x
K

D

E

Q

K

L

-

N

-

G

-

M

-

A

E

A

S

M

M

Q

K

N

E

R

T

I

L

P

R

L

I

K

R

R

R

Y

L

G

G

K

E

P

P

E

E

D

D

I

C

A

A

E

G

L

I

V

V

A

S

F

F

L

L

A

C

S

S

D

E

R

D

A

A

S

S

F

Y

I

I

T

T

G

G

A

E

E

T

Y

V

N

V

I

V

D

G

G

G

T

T

active site: G19 (= G17), S145 (= S135), F155 (≠ T145), Y158 (= Y148), K162 (= K152), K203 (≠ E193)
binding nadp nicotinamide-adenine-dinucleotide phosphate: A15 (≠ G13), T17 (≠ N15), D18 (≠ S16), G19 (= G17), I20 (= I18), S39 (≠ G37), R40 (= R38), K41 (≠ S39), N44 (≠ K42), C64 (≠ A57), H65 (≠ D58), V66 (= V59), N92 (= N85), A93 (= A86), A94 (≠ G87), V143 (≠ L133), S144 (= S134), S145 (= S135), Y158 (= Y148), K162 (= K152), P188 (= P178), G189 (= G179), L190 (≠ P180), I191 (≠ V181), T193 (= T183), S194 (≠ P184), F195 (≠ I185), S196 (≠ F186)

3ai2A The crystal structure of l-sorbose reductase from gluconobacter frateurii complexed with NADPH (see paper)
33% identity, 95% coverage: 4:243/252 of query aligns to 5:258/263 of 3ai2A

query
sites
3ai2A

L

I

N

S

G

G

K

K

V

V

A

A

V

V

V

I

T

T

G
|
G

G
x
S

N
x
S

S
|
S

G
|
G

I
|
I

G

G

Y

L

S

A

T

I

A

A

K

E

K

G

L

F

K

A

E

K

E

E

G

G

A

A

Q

H

V

I

I

V

I

L

T

V

G
x
A

R
|
R

S
x
Q

A

V

E

D

K

R

V

L

N

H

V

E

A

A

A

R

E

S