SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_008201117.1 NCBI__GCF_000166275.1:WP_008201117.1 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)

Q9JII6 Aldo-keto reductase family 1 member A1; Alcohol dehydrogenase [NADP(+)]; Aldehyde reductase; Glucuronate reductase; Glucuronolactone reductase; S-nitroso-CoA reductase; ScorR; EC 1.1.1.2; EC 1.1.1.372; EC 1.1.1.54; EC 1.1.1.19; EC 1.1.1.20; EC 1.6.-.- from Mus musculus (Mouse)
47% identity, 93% coverage: 3:296/315 of query aligns to 5:299/325 of Q9JII6

query
sites
Q9JII6

N

S

L

V

T

L

F

L

A

H

N

T

G

G

D

Q

K

K

L

M

P

P

I

L

I

I

G

G

L

L

G

G

T

T

W

W

K

K

S

S

K

E

P

P

G

G

E

Q

V

V

K

K

Q

A

A

A

V

I

Y

K

W

H

A

A

I

L

E

S

S

A

G

G

Y

Y

R

R

H

H

I

I

D

D

C

C

A

A

A

S

I

V

Y

Y

Q

G

N

N

E

E

N

T

E

E

V

I

G

G

E

E

G

A

I

L

A

K

E

E

A

S

I

V

K

G

A

S

G

G

-

K

L

A

V

V

K

P

R

R

E

E

L

L

F

F

V

V

T

T

S

S

K

K

L

L

W

W

N

N

N

T

S

K

H

H

K

H

Y

P

E

E

D

D

V

V

K

E

P

P

A

A

L

L

K

R

T

K

S

T

L

L

A

A

D

D

L

L

G

Q

L

L

D

E

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

M

H

H

W

W

P

P

I

Y

S

A

F

F

K

E

R

R

G

G

V

D

G

N

-

P

F

F

P

P

E

K

T

N

R

A

D

D

D

G

F

T

Y

V

T

R

Y

Y

L

D

D

S

V

T

P

H

L

Y

S

K

Q

E

T

T

W

W

E

K

A

A

M

L

Q

E

A

V

V

L

K

V

K

A

E

K

G

G

L

L

A

V

K

K

H

A

I

L

G

G

V

L

S

S

N

N

F

F

N

N

Q

S

E

R

K

Q

L

I

R

D

E

D

I

V

I

L

S

S

L

V

G

A

G

S

Q

V

I

R

P

P

E

A

M

V

N

L

Q

Q

V

V

E

E

M

C

H

H

P

P

Y

Y

L

L

A

A

Q

Q

K

N

E

E

L

L

V

I

R

A

F

H

C

C

R

H

E

A

K

R

G

G

I

L

L

E

M

V

T

T

A

A

Y

Y

S

S

P

P

L

L

G

G

S

S

P

S

D

D

S

-

R

R

N

A

E

W

S

R

H

H

K

P

N

D

D

E

P

P

V

V

L

L

K

E

D

E

P

P

V

V

I

V

E

L

L

A

I

L

A

A

K

E

K

K

H

H

G

G

A

R

S

S

M

P

G

A

Q

Q

I

I

L

L

I

L

A

R

W

W

S

Q

T

V

A

Q

R

R

D

K

I

V

A

I

V

C

I

I

P

P

K

K

S

S

V

I

N

N

Q

P

G

S

R

R

I

I

K

L

E

Q

N

N

L

I

A

Q

A

V

S

F

K

D

I

F

K

T

L

F

D

S

Q

P

N

E

D

E

L

M

M

K

E

Q

L

L

D

D

D

A

I

L

G

N

V

K

D

N

F

W

R

R

F

Y

I

I

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylthreonine

P51635 Aldo-keto reductase family 1 member A1; 3-DG-reducing enzyme; Alcohol dehydrogenase [NADP(+)]; Aldehyde reductase; Glucuronate reductase; Glucuronolactone reductase; S-nitroso-CoA reductase; ScorR; EC 1.1.1.2; EC 1.1.1.372; EC 1.1.1.54; EC 1.1.1.19; EC 1.1.1.20; EC 1.6.-.- from Rattus norvegicus (Rat) (see paper)
46% identity, 93% coverage: 3:296/315 of query aligns to 5:299/325 of P51635

query
sites
P51635

N

S

L

V

T

L

F

L

A

H

N

T

G

G

D

Q

K
|
K

L

M

P

P

I

L

I

I

G

G

L

L

G

G

T

T

W

W

K
|
K

S

S

K

E

P

P

G

G

E

Q

V

V

K
|
K

Q

A

A

A

V

I

Y
x
K

W

Y

A

A

I

L

E

S

S

V

G

G

Y

Y

R

R

H

H

I

I

D

D

C

C

A

A

A

S

I

V

Y

Y

Q

G

N

N

E

E

N

T

E

E

V

I

G

G

E

E

G

A

I

L

A
x
K

E

E

A

S

I

V

K

G

A

A

G

G

-
x
K

L

A

V

V

K

P

R

R

E

E

L

L

F

F

V

V

T

T

S

S

K
|
K

L

L

W

W

N

N

N

T

S
x
K

H

H

K

H

Y

P

E

E

D

D

V

V

K

E

P

P

A

A

L

V

K

R

T
x
K

S

T

L

L

A

A

D

D

L

L

G

Q

L

L

D

E

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

M

H

H

W

W

P

P

I

Y

S

A

F

F

K

E

R

R

G

G

V

D

G

N

-

P

F

F

P

P

E
x
K

T

N

R

A

D

D

D

G

F

T

Y

V

T
x
K

Y

Y

L

D

D

S

V

T

P

H

L

Y

S
x
K

Q

E

T

T

W

W

E
x
K

A

A

M

L

Q

E

A

A

V

L

K

V

K

A

E
x
K

G

G

L

L

A

V

K
|
K

H

A

I

L

G

G

V

L

S

S

N

N

F

F

N

S

Q

S

E

R

K

Q

L

I

R

D

E

D

I

V

I

L

S

S

L

V

G

A

G

S

Q

V

I

R

P

P

E

A

M

V

N

L

Q

Q

V

V

E

E

M

C

H

H

P

P

Y

Y

L

L

A

A

Q

Q

K

N

E

E

L

L

V

I

R

A

F

H

C

C

R

Q

E

A

K

R

G

G

I

L

L

E

M

V

T

T

A

A

Y

Y

S

S

P

P

L

L

G

G

S

S

P

S

D

D

S

-

R

R

N

A

E

W

S

R

H

H

K

P

N

D

D

E

P

P

V

V

L

L

K

E

D

E

P

P

V

V

I

V

E

L

L

A

I

L

A

A

K

E

K
|
K

H

H

G

G

A

R

S

S

M

P

G

A

Q

Q

I

I

L

L

I

L

A

R

W

W

S

Q

T

V

A

Q

R

R

D
x
K

I

V

A

I

V

C

I

I

P

P

K
|
K

S

S

V

I

N

T

Q

P

G

S

R

R

I

I

K

L

E

Q

N

N

L

I

A

Q

A

V

S

F

K

D

I

F

K

T

L

F

D

S

Q

P

N

E

D

E

L

M

M
x
K

E

Q

L

L

D

D

D

A

I

L

G

N

V
x
K

D

N

F

W

R

R

F

Y

I

I

K13 (= K11) Not glycated
K23 (= K21) modified: carbohydrate, N-linked (Glc) (glycation) lysine
K30 (= K28) Not glycated
K34 (≠ Y32) Not glycated
K61 (≠ A59) Not glycated
K68 (vs. gap) modified: carbohydrate, N-linked (Glc) (glycation) lysine
K80 (= K77) Not glycated
K85 (≠ S82) modified: carbohydrate, N-linked (Glc) (glycation) lysine
K97 (≠ T94) Not glycated
K127 (≠ E123) Not glycated
K134 (≠ T130) Not glycated
K141 (≠ S137) modified: carbohydrate, N-linked (Glc) (glycation) lysine
K145 (≠ E141) Not glycated
K153 (≠ E149) modified: carbohydrate, N-linked (Glc) (glycation) lysine
K157 (= K153) Not glycated
K240 (= K237) Not glycated
K257 (≠ D254) Not glycated
K263 (= K260) Not glycated
K287 (≠ M284) Not glycated
K294 (≠ V291) Not glycated

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylthreonine
308 Not glycated

3h4gA Structure of aldehyde reductase holoenzyme in complex with potent aldose reductase inhibitor fidarestat: implications for inhibitor binding and selectivity (see paper)
47% identity, 92% coverage: 8:296/315 of query aligns to 10:299/320 of 3h4gA

query
sites
3h4gA

N

T

G

G

D

Q

K

K

L

M

P

P

I

L

I

I

G

G

L

L

G
|
G

T
|
T

W
|
W

K

K

S

S

K

E

P

P

G

G

E

Q

V

V

K

K

Q

A

A

A

V

I

Y

K

W

Y

A

A

I

L

E

T

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

I

I

Y
|
Y

Q

G

N

N

E

E

N

L

E

E

V

I

G

G

E

E

G

A

I

L

A

Q

E

E

A

T

I

V

K

G

A

P

G

G

-

K

L

A

V

V

K

P

R

R

E

E

L

L

F

F

V

V

T

T

S

S

K
|
K

L

L

W

W

N

N

N

T

S

K

H

H

K

H

Y

P

E

E

D

D

V

V

K

E

P

P

A

A

L

L

K

R

T

K

S

T

L

L

A

A

D

D

L

L

G

Q

L

L

D

E

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

M

H
|
H

W
|
W

P

P

I

Y

S

A

F

F

K

E

R

R

G

G

V

D

G

N

-

P

F

F

P

P

E

K

T

N

R

A

D

D

D

G

F

T

Y

I

T

R

Y

Y

L

D

D

A

V

T

P

H

L

Y

S

K

Q

D

T

T

W

W

E

K

A

A

M

L

Q

E

A

A

V

L

K

V

K

A

E

K

G

G

L

L

A

V

K

R

H

A

I

L

G

G

V

L

S
|
S

N
|
N

F

F

N

S

Q

S

E

R

K

Q

L

I

R

D

E

D

I

V

I

L

S

S

L

V

G

A

G

S

Q

V

I

R

P

P

E

A

M

V

N

L

Q
|
Q

V

V

E

E

M

C

H

H

P

P

Y

Y

L

L

A

A

Q

Q

K

N

E

E

L

L

V

I

R

A

F

H

C

C

R

Q

E

A

K

R

G

G

I

L

L

E

M

V

T

T

A

A

Y
|
Y

S
|
S

P
|
P

L
|
L

G

G

S
|
S

P

S

D
|
D

S

-

R

R

N

A

E
x
W

S

R

H

D

K

P

N

N

D

E

P

P

V

V

L

L

K

E

D

E

P

P

V

V

I

V

E

Q

L

A

I

L

A

A

K

E

K

K

H

Y

G

N

A

R

S

S

M

P

G
x
A

Q

Q

I

I

L

L

I

L

A

R

W

W

S

Q

T

V

A

Q

R

R

D

K

I

V

A

I

V

C

I
|
I

P
|
P

K
|
K

S
|
S

V
|
V

N
x
T

Q

P

G

S

R
|
R

I

I

K

L

E
x
Q

N
|
N

L

I

A

Q

A

V

S

F

K

D

I

F

K

T

L

F

D

S

Q

P

N

E

D

E

L

M

M

K

E

Q

L

L

D

D

D

A

I

L

G

N

V

K

D

N

F

L

R

R

F

F

I
|
I

active site: D45 (= D43), Y50 (= Y48), K80 (= K77), H113 (= H110)
binding (2s,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione: W22 (= W20), Y50 (= Y48), H113 (= H110), W114 (= W111), W220 (≠ E217), I299 (= I296)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G18), T21 (= T19), W22 (= W20), D45 (= D43), Y50 (= Y48), H113 (= H110), S162 (= S158), N163 (= N159), Q184 (= Q180), Y210 (= Y206), S211 (= S207), P212 (= P208), L213 (= L209), S215 (= S211), D217 (= D213), A246 (≠ G243), I261 (= I258), P262 (= P259), K263 (= K260), S264 (= S261), V265 (= V262), T266 (≠ N263), R269 (= R266), Q272 (≠ E269), N273 (= N270)

Sites not aligning to the query:

binding (2s,4s)-2-aminoformyl-6-fluoro-spiro[chroman-4,4'-imidazolidine]-2',5'-dione: 300, 301

3cv7A Crystal structure of porcine aldehyde reductase ternary complex (see paper)
47% identity, 92% coverage: 8:296/315 of query aligns to 10:299/322 of 3cv7A

query
sites
3cv7A

N

T

G

G

D

Q

K

K

L

M

P

P

I

L

I

I

G

G

L

L

G
|
G

T
|
T

W
|
W

K

K

S

S

K

E

P

P

G

G

E

Q

V

V

K

K

Q

A

A

A

V

I

Y

K

W

Y

A

A

I

L

E

T

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

I

I

Y
|
Y

Q

G

N

N

E

E

N

L

E

E

V

I

G

G

E

E

G

A

I

L

A

Q

E

E

A

T

I

V

K

G

A

P

G

G

-

K

L

A

V

V

K

P

R

R

E

E

L

L

F

F

V

V

T

T

S

S

K
|
K

L

L

W
|
W

N

N

N

T

S

K

H

H

K

H

Y

P

E

E

D

D

V

V

K

E

P

P

A

A

L

L

K

R

T

K

S

T

L

L

A

A

D

D

L

L

G

Q

L

L

D

E

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

M

H
|
H

W

W

P

P

I

Y

S

A

F

F

K

E

R

R

G

G

V

D

G

N

-

P

F

F

P

P

E

K

T

N

R

A

D

D

D

G

F

T

Y

I

T

R

Y

Y

L

D

D

A

V

T

P

H

L

Y

S

K

Q

D

T

T

W

W

E

K

A

A

M

L

Q

E

A

A

V

L

K

V

K

A

E

K

G

G

L

L

A

V

K

R

H

A

I

L

G

G

V

L

S

S

N

N

F

F

N

S

Q

S

E

R

K

Q

L

I

R

D

E

D

I

V

I

L

S

S

L

V

G

A

G

S

Q

V

I

R

P

P

E

A

M

V

N

L

Q
|
Q

V

V

E

E

M

C

H

H

P

P

Y

Y

L

L

A

A

Q

Q

K

N

E

E

L

L

V

I

R

A

F

H

C

C

R

Q

E

A

K

R

G

G

I

L

L

E

M

V

T

T

A

A

Y
|
Y

S
|
S

P
|
P

L
|
L

G

G

S
|
S

P

S

D

D

S

-

R

R

N

A

E

W

S

R

H

D

K

P

N

N

D

E

P

P

V

V

L

L

K

E

D

E

P

P

V

V

I

V

E

Q

L

A

I

L

A

A

K

E

K

K

H

Y

G

N

A

R

S

S

M

P

G
x
A

Q

Q

I

I

L

L

I

L

A

R

W

W

S

Q

T

V

A

Q

R

R

D

K

I

V

A

I

V

C

I
|
I

P
|
P

K
|
K

S
|
S

V
|
V

N
x
T

Q

P

G

S

R
|
R

I

I

K

L

E
x
Q

N
|
N

L

I

A

Q

A

V

S

F

K

D

I

F

K

T

L

F

D

S

Q

P

N

E

D

E

L

M

M

K

E

Q

L

L

D

D

D

A

I

L

G

N

V

K

D

N

F

L

R

R

F

F

I

I

active site: D45 (= D43), Y50 (= Y48), K80 (= K77), H113 (= H110)
binding 3,5-dichloro-2-hydroxybenzoic acid: W22 (= W20), Y50 (= Y48), W82 (= W79), H113 (= H110)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G18), T21 (= T19), W22 (= W20), Y50 (= Y48), H113 (= H110), Q184 (= Q180), Y210 (= Y206), S211 (= S207), P212 (= P208), L213 (= L209), S215 (= S211), A246 (≠ G243), I261 (= I258), P262 (= P259), K263 (= K260), S264 (= S261), V265 (= V262), T266 (≠ N263), R269 (= R266), Q272 (≠ E269), N273 (= N270)

Sites not aligning to the query:

binding 3,5-dichloro-2-hydroxybenzoic acid: 309

3fx4A Porcine aldehyde reductase in ternary complex with inhibitor (see paper)
47% identity, 92% coverage: 8:296/315 of query aligns to 10:299/325 of 3fx4A

query
sites
3fx4A

N

T

G

G

D

Q

K

K

L

M

P

P

I

L

I

I

G

G

L

L

G
|
G

T
|
T

W
|
W

K

K

S

S

K

E

P

P

G

G

E

Q

V

V

K

K

Q

A

A

A

V

I

Y

K

W

Y

A

A

I

L

E

T

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

I

I

Y
|
Y

Q

G

N

N

E

E

N

L

E

E

V

I

G

G

E

E

G

A

I

L

A

Q

E

E

A

T

I

V

K

G

A

P

G

G

-

K

L

A

V

V

K

P

R

R

E

E

L

L

F

F

V

V

T

T

S

S

K
|
K

L

L

W

W

N

N

N

T

S

K

H

H

K

H

Y

P

E

E

D

D

V

V

K

E

P

P

A

A

L

L

K

R

T

K

S

T

L

L

A

A

D

D

L

L

G

Q

L

L

D

E

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

M

H
|
H

W

W

P

P

I

Y

S

A

F

F

K

E

R

R

G

G

V

D

G

N

-

P

F

F

P

P

E

K

T

N

R

A

D

D

D

G

F

T

Y

I

T

R

Y

Y

L

D

D

A

V

T

P

H

L

Y

S

K

Q

D

T

T

W

W

E

K

A

A

M

L

Q

E

A

A

V

L

K

V

K

A

E

K

G

G

L

L

A

V

K

R

H

A

I

L

G

G

V

L

S

S

N

N

F

F

N

S

Q

S

E

R

K

Q

L

I

R

D

E

D

I

V

I

L

S

S

L

V

G

A

G

S

Q

V

I

R

P

P

E

A

M

V

N

L

Q
|
Q

V

V

E

E

M

C

H

H

P

P

Y

Y

L

L

A

A

Q

Q

K

N

E

E

L

L

V

I

R

A

F

H

C

C

R

Q

E

A

K

R

G

G

I

L

L

E

M

V

T

T

A

A

Y
|
Y

S
|
S

P
|
P

L
|
L

G

G

S
|
S

P

S

D

D

S

-

R
|
R

N
x
A

E

W

S

R

H

D

K

P

N

N

D

E

P

P

V

V

L

L

K

E

D

E

P

P

V

V

I

V

E

Q

L

A

I

L

A

A

K

E

K

K

H

Y

G

N

A

R

S

S

M

P

G
x
A

Q

Q

I

I

L

L

I

L

A

R

W

W

S

Q

T

V

A

Q

R

R

D

K

I

V

A

I

V

C

I
|
I

P
|
P

K
|
K

S
|
S

V
|
V

N
x
T

Q

P

G

S

R
|
R

I

I

K

L

E
x
Q

N
|
N

L

I

A

Q

A

V

S

F

K

D

I

F

K

T

L

F

D

S

Q

P

N

E

D

E

L

M

M

K

E

Q

L

L

D

D

D

A

I

L

G

N

V

K

D

N

F

L

R

R

F
|
F

I
|
I

active site: D45 (= D43), Y50 (= Y48), K80 (= K77), H113 (= H110)
binding [(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid: W22 (= W20), Y50 (= Y48), H113 (= H110), R218 (= R215), A219 (≠ N216), F298 (= F295), I299 (= I296)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G20 (= G18), T21 (= T19), W22 (= W20), D45 (= D43), Y50 (= Y48), H113 (= H110), Q184 (= Q180), Y210 (= Y206), S211 (= S207), P212 (= P208), L213 (= L209), S215 (= S211), A246 (≠ G243), I261 (= I258), P262 (= P259), K263 (= K260), S264 (= S261), V265 (= V262), T266 (≠ N263), R269 (= R266), Q272 (≠ E269), N273 (= N270)

Sites not aligning to the query:

binding [(5Z)-5-{[3-(carboxymethoxy)-4-methoxyphenyl]methylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetic acid: 300

P50578 Aldo-keto reductase family 1 member A1; Alcohol dehydrogenase [NADP(+)]; Aldehyde reductase; Glucuronate reductase; Glucuronolactone reductase; S-nitroso-CoA reductase; ScorR; EC 1.1.1.2; EC 1.1.1.372; EC 1.1.1.54; EC 1.1.1.19; EC 1.1.1.20; EC 1.6.-.- from Sus scrofa (Pig) (see 2 papers)
47% identity, 92% coverage: 8:296/315 of query aligns to 10:299/325 of P50578

query
sites
P50578

N

T

G

G

D

Q

K

K

L

M

P

P

I

L

I

I

G

G

L

L

G

G

T
|
T

W
|
W

K

K

S

S

K

E

P

P

G

G

E

Q

V

V

K

K

Q

A

A

A

V

I

Y

K

W

Y

A

A

I

L

E

T

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

I

I

Y
|
Y

Q

G

N

N

E

E

N

L

E

E

V

I

G

G

E

E

G

A

I

L

A

Q

E

E

A

T

I

V

K

G

A

P

G

G

-

K

L

A

V

V

K

P

R

R

E

E

L

L

F

F

V

V

T

T

S

S

K

K

L

L

W

W

N

N

N

T

S

K

H

H

K

H

Y

P

E

E

D

D

V

V

K

E

P

P

A

A

L

L

K

R

T

K

S

T

L

L

A

A

D

D

L

L

G

Q

L

L

D

E

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

M

H

H

W

W

P

P

I

Y

S

A

F

F

K

E

R

R

G

G

V

D

G

N

-

P

F

F

P

P

E

K

T

N

R

A

D

D

D

G

F

T

Y

I

T

R

Y

Y

L

D

D

A

V

T

P

H

L

Y

S

K

Q

D

T

T

W

W

E

K

A

A

M

L

Q

E

A

A

V

L

K

V

K

A

E

K

G

G

L

L

A

V

K

R

H

A

I

L

G

G

V

L

S
|
S

N
|
N

F

F

N

S

Q

S

E

R

K

Q

L

I

R

D

E

D

I

V

I

L

S

S

L

V

G

A

G

S

Q

V

I

R

P

P

E

A

M

V

N

L

Q

Q

V

V

E

E

M

C

H

H

P

P

Y

Y

L

L

A

A

Q

Q

K

N

E

E

L

L

V

I

R

A

F

H

C

C

R

Q

E

A

K

R

G

G

I

L

L

E

M

V

T

T

A

A

Y

Y

S
|
S

P

P

L
|
L

G

G

S
|
S

P
x
S

D

D

S

-

R

R

N

A

E

W

S

R

H

D

K

P

N

N

D

E

P

P

V

V

L

L

K

E

D

E

P

P

V

V

I

V

E

Q

L

A

I

L

A

A

K

E

K

K

H

Y

G

N

A

R

S

S

M

P

G

A

Q

Q

I

I

L

L

I

L

A

R

W

W

S

Q

T

V

A

Q

R

R

D

K

I

V

A

I

V

C

I

I

P

P

K
|
K

S
|
S

V
|
V

N
x
T

Q

P

G

S

R
|
R

I

I

K

L

E
x
Q

N
|
N

L

I

A

Q

A

V

S

F

K

D

I

F

K

T

L

F

D

S

Q

P

N

E

D

E

L

M

M

K

E

Q

L

L

D

D

D

A

I

L

G

N

V

K

D

N

F

L

R

R

F

F

I

I

T21 (= T19) binding NADP(+)
W22 (= W20) binding NADP(+)
D45 (= D43) binding NADP(+)
Y50 (= Y48) active site, Proton donor; mutation to F: Abolished aldo-keto reductase activity.
S162 (= S158) binding NADP(+)
N163 (= N159) binding NADP(+)
S211 (= S207) binding NADP(+)
L213 (= L209) binding NADP(+)
S215 (= S211) binding NADP(+)
S216 (≠ P212) binding NADP(+)
K263 (= K260) binding NADP(+)
S264 (= S261) binding NADP(+)
V265 (= V262) binding NADP(+)
T266 (≠ N263) binding NADP(+)
R269 (= R266) binding NADP(+)
Q272 (≠ E269) binding NADP(+)
N273 (= N270) binding NADP(+)

P14550 Aldo-keto reductase family 1 member A1; Alcohol dehydrogenase [NADP(+)]; Aldehyde reductase; Glucuronate reductase; Glucuronolactone reductase; S-nitroso-CoA reductase; ScorR; EC 1.1.1.2; EC 1.1.1.372; EC 1.1.1.54; EC 1.1.1.19; EC 1.1.1.20; EC 1.6.-.- from Homo sapiens (Human) (see 5 papers)
47% identity, 92% coverage: 8:296/315 of query aligns to 10:299/325 of P14550

query
sites
P14550

N

T

G

G

D

Q

K

K

L

M

P

P

I

L

I

I

G

G

L

L

G

G

T

T

W

W

K

K

S

S

K

E

P

P

G

G

E

Q

V

V

K

K

Q

A

A

A

V

V

Y

K

W

Y

A

A

I

L

E

S

S

V

G

G

Y

Y

R

R

H

H

I

I

D

D

C

C

A

A

I

I

Y
|
Y

Q

G

N
|
N

E

E

N

P

E
|
E

V

I

G

G

E

E

G

A

I

L

A

K

E

E

A

D

I

V

K

G

A

P

G

G

-

K

L

A

V

V

K

P

R

R

E

E

L

L

F

F

V

V

T

T

S

S

K
|
K

L

L

W

W

N

N

N

T

S

K

H

H

K

H

Y

P

E

E

D

D

V

V

K

E

P

P

A

A

L

L

K

R

T

K

S

T

L

L

A

A

D

D

L

L

G

Q

L

L

D

E

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

M

H
|
H

W

W

P

P

I

Y

S

A

F

F

K

E

R

R

G

G

V

D

G

N

-

P

F

F

P

P

E
x
K

T

N

R

A

D

D

D

G

F

T

Y

I

T

C

Y

Y

L

D

D

S

V

T

P

H

L

Y

S

K

Q

E

T

T

W

W

E

K

A

A

M

L

Q

E

A

A

V

L

K

V

K

A

E

K

G

G

L

L

A

V

K

Q

H

A

I

L

G

G

V

L

S

S

N

N

F

F

N

N

Q

S

E

R

K

Q

L

I

R

D

E

D

I

I

I

L

S

S

L

V

G

A

G

S

Q

V

I

R

P

P

E

A

M

V

N

L

Q

Q

V

V

E

E

M

C

H

H

P

P

Y

Y

L

L

A

A

Q

Q

K

N

E

E

L

L

V

I

R

A

F

H

C

C

R

Q

E

A

K

R

G

G

I

L

L

E

M

V

T

T

A

A

Y

Y

S

S

P

P

L

L

G

G

S

S

P

S

D

D

S

-

R

R

N

A

E

W

S

R

H

D

K

P

N

D

D

E

P

P

V

V

L

L

K

E

D

E

P

P

V

V

I

V

E

L

L

A

I

L

A

A

K

E

K

K

H

Y

G

G

A

R

S

S

M

P

G

A

Q

Q

I

I

L

L

I

L

A

R

W

W

S

Q

T

V

A

Q

R

R

D

K

I

V

A

I

V

C

I

I

P

P

K

K

S

S

V

I

N

T

Q

P

G

S

R

R

I

I

K

L

E

Q

N

N

L

I

A

K

A

V

S

F

K

D

I

F

K

T

L

F

D

S

Q

P

N

E

D

E

L

M

M

K

E

Q

L

L

D

N

D

A

I

L

G

N

V

K

D

N

F

W

R

R

F

Y

I
|
I

Y50 (= Y48) active site, Proton donor; mutation to A: Abolished reductase activity.; mutation to F: Complete loss of enzymatic activity.; mutation to H: Complete loss of enzymatic activity.
N52 (= N50) to S: reduced activity towards daunorubicin; dbSNP:rs2229540
E55 (= E53) to D: reduced activity towards daunorubicin; dbSNP:rs6690497
K80 (= K77) Lowers pKa of active site Tyr; mutation to M: Complete loss of enzymatic activity.
H113 (= H110) mutation to Q: Strong decrease in enzymatic activity.
K127 (≠ E123) mutation to A: Abolished S-nitroso-CoA reductase activity without affecting ability to reduce S-nitrosoglutathione, glyceraldehyde or glucuronate.
I299 (= I296) mutation to A: No change in enzymatic activity.; mutation to C: No change in enzymatic activity.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
300 V→C: No change in enzymatic activity.
312 R→A: Abolished S-nitrosoglutathione reductase activity without affecting ability to reduce S-nitroso-CoA.

1az1A Alrestatin bound to c298a/w219y mutant human aldose reductase (see paper)
49% identity, 92% coverage: 4:294/315 of query aligns to 3:295/314 of 1az1A

query
sites
1az1A

L

L

T

L

F

L

A

N

N

N

G

G

D

A

K

K

L

M

P

P

I

I

I

L

G

G

L

L

G
|
G

T
|
T

W
|
W

K
|
K

S

S

K

P

P

P

G

G

E

Q

V

V

K

T

Q

E

A

A

V

V

Y

K

W

V

A

A

I

I

E

D

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

A

H

I

V

Y
|
Y

Q

Q

N

N

E

E

N

N

E

E

V

V

G

G

E

V

G

A

I

I

A

Q

E

E

A

K

I

L

K

R

A

E

G

Q

L

V

V

V

K

K

R

R

E

E

L

L

F

F

V

I

T

V

S

S

K
|
K

L

L

W

W

N

C

N

T

S

Y

H

H

K

E

Y

K

E

G

D

L

V

V

K

K

P

G

A

A

L

C

K

Q

T

K

S

T

L

L

A

S

D

D

L

L

G

K

L

L

D

D

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

I

H
|
H

W
|
W

P

P

I

T

S

G

F

F

K

K

R

P

G

G

V

K

G

E

-

F

F
|
F

P

P

E

L

T

D

R

E

D

S

D

G

F

N

Y

V

T

V

Y

P

L

S

D

D

V

T

P

N

L

I

S

L

Q

D

T

T

W

W

E

A

A

A

M

M

Q

E

A

E

V

L

K

V

K

D

E

E

G

G

L

L

A

V

K

K

H

A

I

I

G

G

V

I

S

S

N

N

F

F

N

N

Q

H

E

L

K

Q

L

V

R

E

E

M

I

I

I

L

S

N

L

K

G

P

G

G

-

L

-

K

Q

Y

I

K

P

P

E

A

M

V

N

N

Q
|
Q

V

I

E

E

M

C

H

H

P

P

Y

Y

L

L

A

T

Q

Q

K

E

E

K

L

L

V

I

R

Q

F

Y

C

C

R

Q

E

S

K

K

G

G

I

I

L

V

M

V

T

T

A

A

Y
|
Y

S
|
S

P
|
P

L
|
L

G

G

S
|
S

P
|
P

D
|
D

S

-

R

R

N

P

E

Y

S

A

H

K

K

P

N

E

D

D

P

P

V

S

L

L

K

E

D

D

P

P

V

R

I

I

E

K

L

A

I

I

A

A

K

A

K

K

H

H

G

N

A

K

S

T

M

T

G
x
A

Q

Q

I

V

L

L

I

I

A

R

W

F

S

P

T

M

A

Q

R

R

D

N

I

L

A

V

V

V

I
|
I

P
|
P

K
|
K

S
|
S

V
|
V

N
x
T

Q

P

G

E

R
|
R

I

I

K

A

E
|
E

N
|
N

L

F

A

K

A

V

S

F

K

D

I

F

K

E

L

L

D

S

Q

S

N

Q

D

D

L

M

M

T

E

T

L

L

D

L

D

S

I

Y

G

N

V

R

D

N

F

W

R

R

active site: D42 (= D43), Y47 (= Y48), K76 (= K77), H109 (= H110)
binding alrestatin: W19 (= W20), Y47 (= Y48), H109 (= H110), W110 (= W111), F121 (= F121)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G17 (= G18), T18 (= T19), W19 (= W20), K20 (= K21), D42 (= D43), Y47 (= Y48), W110 (= W111), Q182 (= Q180), Y208 (= Y206), S209 (= S207), P210 (= P208), L211 (= L209), S213 (= S211), P214 (= P212), D215 (= D213), A244 (≠ G243), I259 (= I258), P260 (= P259), K261 (= K260), S262 (= S261), V263 (= V262), T264 (≠ N263), R267 (= R266), E270 (= E269), N271 (= N270)

Sites not aligning to the query:

binding alrestatin: 297, 297, 298, 299, 300

4jirA Crystal structure of aldose reductase (akr1b1) complexed with NADP+ and epalrestat (see paper)
49% identity, 92% coverage: 4:294/315 of query aligns to 5:297/316 of 4jirA

query
sites
4jirA

L

L

T

L

F

L

A

N

N

N

G

G

D

A

K

K

L

M

P

P

I

I

I

L

G

G

L

L

G
|
G

T
|
T

W
|
W

K
|
K

S

S

K

P

P

P

G

G

E

Q

V

V

K

T

Q

E

A

A

V

V

Y

K

W

V

A

A

I

I

E

D

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

A

H

I

V

Y
|
Y

Q

Q

N

N

E

E

N

N

E

E

V

V

G

G

E

V

G

A

I

I

A

Q

E

E

A

K

I

L

K

R

A

E

G

Q

L

V

V

V

K

K

R

R

E

E

L

L

F

F

V

I

T

V

S

S

K
|
K

L

L

W

W

N

C

N

T

S

Y

H

H

K

E

Y

K

E

G

D

L

V

V

K

K

P

G

A

A

L

C

K

Q

T

K

S

T

L

L

A

S

D

D

L

L

G

K

L

L

D

D

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

I

H
|
H

W

W

P

P

I

T

S

G

F

F

K

K

R

P

G

G

V

K

G

E

-

F

F
|
F

P

P

E

L

T

D

R

E

D

S

D

G

F

N

Y

V

T

V

Y

P

L

S

D

D

V

T

P

N

L

I

S

L

Q

D

T

T

W

W

E

A

A

A

M

M

Q

E

A

E

V

L

K

V

K

D

E

E

G

G

L

L

A

V

K

K

H

A

I

I

G

G

V

I

S

S

N
|
N

F

F

N

N

Q

H

E

L

K

Q

L

V

R

E

E

M

I

I

I

L

S

N

L

K

G

P

G

G

-

L

-

K

Q

Y

I

K

P

P

E

A

M

V

N

N

Q
|
Q

V

I

E

E

M

C

H

H

P

P

Y

Y

L

L

A

T

Q

Q

K

E

E

K

L

L

V

I

R

Q

F

Y

C

C

R

Q

E

S

K

K

G

G

I

I

L

V

M

V

T

T

A

A

Y
|
Y

S
|
S

P
|
P

L
|
L

G

G

S
|
S

P
|
P

D
|
D

S

-

R

R

N

P

E

W

S

A

H

K

K

P

N

E

D

D

P

P

V

S

L

L

K

E

D

D

P

P

V

R

I

I

E

K

L

A

I

I

A

A

K

A

K

K

H

H

G

N

A

K

S

T

M

T

G
x
A

Q

Q

I

V

L

L

I

I

A

R

W

F

S

P

T

M

A

Q

R

R

D

N

I

L

A

V

V

V

I
|
I

P
|
P

K
|
K

S
|
S

V
|
V

N
x
T

Q

P

G

E

R
|
R

I

I

K

A

E
|
E

N
|
N

L

F

A

K

A

V

S

F

K

D

I

F

K

E

L

L

D

S

Q

S

N

Q

D

D

L

M

M

T

E

T

L

L

D

L

D

S

I

Y

G

N

V

R

D

N

F

W

R

R

active site: D44 (= D43), Y49 (= Y48), K78 (= K77), H111 (= H110)
binding {5-[(2E)-2-methyl-3-phenylprop-2-en-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid: W21 (= W20), Y49 (= Y48), H111 (= H110), F123 (= F121)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G18), T20 (= T19), W21 (= W20), K22 (= K21), D44 (= D43), Y49 (= Y48), H111 (= H110), N161 (= N159), Q184 (= Q180), Y210 (= Y206), S211 (= S207), P212 (= P208), L213 (= L209), S215 (= S211), P216 (= P212), D217 (= D213), A246 (≠ G243), I261 (= I258), P262 (= P259), K263 (= K260), S264 (= S261), V265 (= V262), T266 (≠ N263), R269 (= R266), E272 (= E269), N273 (= N270)

Sites not aligning to the query:

3v36A Aldose reductase complexed with glceraldehyde (see paper)
49% identity, 92% coverage: 4:294/315 of query aligns to 5:297/316 of 3v36A

query
sites
3v36A

L

L

T

L

F

L

A

N

N

N

G

G

D

A

K

K

L

M

P

P

I

I

I

L

G

G

L

L

G
|
G

T
|
T

W
|
W

K
|
K

S

S

K
x
P

P

P

G

G

E

Q

V

V

K

T

Q

E

A

A

V

V

Y

K

W

V

A

A

I

I

E

D

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

A

H

I

V

Y
|
Y

Q

Q

N

N

E

E

N

N

E

E

V

V

G

G

E

V

G

A

I

I

A

Q

E

E

A

K

I

L

K

R

A

E

G

Q

L

V

V

V

K

K

R

R

E

E

L

L

F

F

V

I

T

V

S

S

K
|
K

L

L

W

W

N

C

N

T

S

Y

H

H

K

E

Y

K

E

G

D

L

V

V

K

K

P

G

A

A

L

C

K

Q

T

K

S

T

L

L

A

S

D

D

L

L

G

K

L

L

D

D

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

I

H
|
H

W

W

P

P

I

T

S

G

F

F

K

K

R

P

G

G

V

K

G

E

-

F

F

F

P

P

E

L

T

D

R

E

D

S

D

G

F

N

Y

V

T

V

Y

P

L

S

D

D

V

T

P

N

L

I

S

L

Q

D

T

T

W

W

E

A

A

A

M

M

Q

E

A

E

V

L

K

V

K

D

E

E

G

G

L

L

A

V

K

K

H

A

I

I

G

G

V

I

S

S

N
|
N

F

F

N

N

Q

H

E

L

K

Q

L

V

R

E

E

M

I

I

I

L

S

N

L

K

G

P

G

G

-

L

-

K

Q

Y

I

K

P

P

E

A

M

V

N

N

Q
|
Q

V

I

E

E

M

C

H

H

P

P

Y

Y

L

L

A

T

Q

Q

K

E

E

K

L

L

V

I

R

Q

F

Y

C

C

R

Q

E

S

K

K

G

G

I

I

L

V

M

V

T

T

A

A

Y
|
Y

S
|
S

P
|
P

L
|
L

G

G

S
|
S

P
|
P

D
|
D

S

-

R

R

N

P

E

W

S

A

H

K

K

P

N

E

D

D

P

P

V

S

L

L

L
|
L

K

E

D

D

P

P

V

R

I

I

E

K

L

A

I

I

A

A

K

A

K

K

H

H

G

N

A

K

S

T

M

T

G
x
A

Q

Q

I

V

L

L

I

I

A

R

W

F

S

P

T

M

A

Q

R

R

D

N

I

L

A

V

V

V

I
|
I

P
|
P

K
|
K

S
|
S

V
|
V

N
x
T

Q

P

G

E

R
|
R

I

I

K

A

E
|
E

N
|
N

L

F

A

K

A

V

S

F

K

D

I

F

K

E

L

L

D

S

Q

S

N

Q

D

D

L

M

M

T

E

T

L

L

D

L

D

S

I

Y

G

N

V

R

D

N

F

W

R

R

active site: P24 (≠ K23), D44 (= D43), Y49 (= Y48), K78 (= K77), H111 (= H110)
binding D-Glyceraldehyde: Y49 (= Y48), H111 (= H110)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G18), T20 (= T19), W21 (= W20), K22 (= K21), D44 (= D43), Y49 (= Y48), H111 (= H110), N161 (= N159), Q184 (= Q180), Y210 (= Y206), S211 (= S207), P212 (= P208), L213 (= L209), S215 (= S211), P216 (= P212), D217 (= D213), L229 (= L226), A246 (≠ G243), I261 (= I258), P262 (= P259), K263 (= K260), S264 (= S261), V265 (= V262), T266 (≠ N263), R269 (= R266), E272 (= E269), N273 (= N270)

3v35A Aldose reductase complexed with a nitro compound (see paper)
49% identity, 92% coverage: 4:294/315 of query aligns to 5:297/316 of 3v35A

query
sites
3v35A

L

L

T

L

F

L

A

N

N

N

G

G

D

A

K

K

L

M

P

P

I

I

I

L

G

G

L

L

G
|
G

T
|
T

W
|
W

K
|
K

S

S

K
x
P

P

P

G

G

E

Q

V

V

K

T

Q

E

A

A

V

V

Y

K

W

V

A

A

I

I

E

D

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

A

H

I
x
V

Y
|
Y

Q

Q

N

N

E

E

N

N

E

E

V

V

G

G

E

V

G

A

I

I

A

Q

E

E

A

K

I

L

K

R

A

E

G

Q

L

V

V

V

K

K

R

R

E

E

L

L

F

F

V

I

T

V

S

S

K
|
K

L

L

W
|
W

N

C

N

T

S

Y

H

H

K

E

Y

K

E

G

D

L

V

V

K

K

P

G

A

A

L

C

K

Q

T

K

S

T

L

L

A

S

D

D

L

L

G

K

L

L

D

D

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

I

H
|
H

W

W

P

P

I

T

S

G

F

F

K

K

R

P

G

G

V

K

G

E

-

F

F

F

P

P

E

L

T

D

R

E

D

S

D

G

F

N

Y

V

T

V

Y

P

L

S

D

D

V

T

P

N

L

I

S

L

Q

D

T

T

W

W

E

A

A

A

M

M

Q

E

A

E

V

L

K

V

K

D

E

E

G

G

L

L

A

V

K

K

H

A

I

I

G

G

V

I

S

S

N

N

F

F

N

N

Q

H

E

L

K

Q

L

V

R

E

E

M

I

I

I

L

S

N

L

K

G

P

G

G

-

L

-

K

Q

Y

I

K

P

P

E

A

M

V

N

N

Q
|
Q

V

I

E

E

M

C

H

H

P

P

Y

Y

L

L

A

T

Q

Q

K

E

E

K

L

L

V

I

R

Q

F

Y

C

C

R

Q

E

S

K

K

G

G

I

I

L

V

M

V

T

T

A

A

Y
|
Y

S
|
S

P
|
P

L
|
L

G

G

S
|
S

P
|
P

D
|
D

S

-

R

R

N
x
P

E
x
W

S

A

H

K

K

P

N

E

D

D

P

P

V

S

L

L

K

E

D

D

P

P

V

R

I

I

E

K

L

A

I

I

A

A

K

A

K

K

H

H

G

N

A

K

S

T

M

T

G
x
A

Q

Q

I

V

L

L

I

I

A

R

W

F

S

P

T

M

A

Q

R

R

D

N

I

L

A

V

V

V

I
|
I

P
|
P

K
|
K

S
|
S

V
|
V

N
x
T

Q

P

G

E

R
|
R

I

I

K

A

E
|
E

N
|
N

L

F

A

K

A

V

S

F

K

D

I

F

K

E

L

L

D

S

Q

S

N

Q

D

D

L

M

M

T

E

T

L

L

D

L

D

S

I

Y

G

N

V

R

D

N

F

W

R

R

active site: P24 (≠ K23), D44 (= D43), Y49 (= Y48), K78 (= K77), H111 (= H110)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G18), T20 (= T19), W21 (= W20), K22 (= K21), D44 (= D43), Y49 (= Y48), H111 (= H110), Q184 (= Q180), Y210 (= Y206), S211 (= S207), P212 (= P208), L213 (= L209), S215 (= S211), P216 (= P212), D217 (= D213), A246 (≠ G243), I261 (= I258), P262 (= P259), K263 (= K260), S264 (= S261), V265 (= V262), T266 (≠ N263), R269 (= R266), E272 (= E269), N273 (= N270)
binding 2-[(5-nitro-1,3-thiazol-2-yl)carbamoyl]phenyl acetate: V48 (≠ I47), W80 (= W79), H111 (= H110), P219 (≠ N216), W220 (≠ E217)

3s3gA Crystal structure of human aldose reductase complexed with tolmetin (see paper)
49% identity, 92% coverage: 4:294/315 of query aligns to 5:297/316 of 3s3gA

query
sites
3s3gA

L

L

T

L

F

L

A

N

N

N

G

G

D

A

K

K

L

M

P

P

I

I

I

L

G

G

L

L

G
|
G

T
|
T

W
|
W

K
|
K

S

S

K
x
P

P

P

G

G

E

Q

V

V

K

T

Q

E

A

A

V

V

Y

K

W

V

A

A

I

I

E

D

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

A

H

I

V

Y
|
Y

Q

Q

N

N

E

E

N

N

E

E

V

V

G

G

E

V

G

A

I

I

A

Q

E

E

A

K

I

L

K

R

A

E

G

Q

L

V

V

V

K

K

R

R

E

E

L

L

F

F

V

I

T

V

S

S

K
|
K

L

L

W

W

N

C

N

T

S

Y

H

H

K

E

Y

K

E

G

D

L

V

V

K

K

P

G

A

A

L

C

K

Q

T

K

S

T

L

L

A

S

D

D

L

L

G

K

L

L

D

D

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

I

H
|
H

W
|
W

P

P

I

T

S

G

F

F

K

K

R

P

G

G

V

K

G

E

-

F

F
|
F

P

P

E

L

T

D

R

E

D

S

D

G

F

N

Y

V

T

V

Y

P

L

S

D

D

V

T

P

N

L

I

S

L

Q

D

T

T

W

W

E

A

A

A

M

M

Q

E

A

E

V

L

K

V

K

D

E

E

G

G

L

L

A

V

K

K

H

A

I

I

G

G

V

I

S

S

N
|
N

F

F

N

N

Q

H

E

L

K

Q

L

V

R

E

E

M

I

I

I

L

S

N

L

K

G

P

G

G

-

L

-

K

Q

Y

I

K

P

P

E

A

M

V

N

N

Q
|
Q

V

I

E

E

M

C

H

H

P

P

Y

Y

L

L

A

T

Q

Q

K

E

E

K

L

L

V

I

R

Q

F

Y

C

C

R

Q

E

S

K

K

G

G

I

I

L

V

M

V

T

T

A

A

Y
|
Y

S
|
S

P
|
P

L
|
L

G

G

S
|
S

P
|
P

D
|
D

S

-

R

R

N

P

E
x
W

S

A

H

K

K

P

N

E

D

D

P

P

V

S

L

L

K

E

D

D

P

P

V

R

I

I

E

K

L

A

I

I

A

A

K

A

K

K

H

H

G

N

A

K

S

T

M

T

G
x
A

Q

Q

I

V

L

L

I

I

A

R

W

F

S

P

T

M

A

Q

R

R

D

N

I

L

A

V

V

V

I
|
I

P
|
P

K
|
K

S
|
S

V
|
V

N
x
T

Q

P

G

E

R
|
R

I

I

K

A

E
|
E

N
|
N

L

F

A

K

A

V

S

F

K

D

I

F

K

E

L

L

D

S

Q

S

N

Q

D

D

L

M

M

T

E

T

L

L

D

L

D

S

I

Y

G

N

V

R

D

N

F

W

R

R

active site: P24 (≠ K23), D44 (= D43), Y49 (= Y48), K78 (= K77), H111 (= H110)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G18), T20 (= T19), W21 (= W20), K22 (= K21), D44 (= D43), Y49 (= Y48), H111 (= H110), N161 (= N159), Q184 (= Q180), Y210 (= Y206), S211 (= S207), P212 (= P208), L213 (= L209), S215 (= S211), P216 (= P212), D217 (= D213), A246 (≠ G243), I261 (= I258), P262 (= P259), K263 (= K260), S264 (= S261), V265 (= V262), T266 (≠ N263), R269 (= R266), E272 (= E269), N273 (= N270)
binding Tolmetin: W21 (= W20), Y49 (= Y48), H111 (= H110), W112 (= W111), F123 (= F121), W220 (≠ E217)

Sites not aligning to the query:

binding nadp nicotinamide-adenine-dinucleotide phosphate: 299

1t40A Crystal structure of human aldose reductase complexed with NADP and idd552 at ph 5 (see paper)
49% identity, 92% coverage: 4:294/315 of query aligns to 5:297/316 of 1t40A

query
sites
1t40A

L

L

T

L

F

L

A

N

N

N

G

G

D

A

K

K

L

M

P

P

I

I

I

L

G

G

L

L

G
|
G

T
|
T

W
|
W

K

K

S

S

K

P

P

P

G

G

E

Q

V

V

K

T

Q

E

A

A

V

V

Y

K

W

V

A

A

I

I

E

D

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

A

H

I
x
V

Y
|
Y

Q

Q

N

N

E

E

N

N

E

E

V

V

G

G

E

V

G

A

I

I

A

Q

E

E

A

K

I

L

K

R

A

E

G

Q

L

V

V

V

K

K

R

R

E

E

L

L

F

F

V

I

T

V

S

S

K
|
K

L

L

W

W

N

C

N

T

S

Y

H

H

K

E

Y

K

E

G

D

L

V

V

K

K

P

G

A

A

L

C

K

Q

T

K

S

T

L

L

A

S

D

D

L

L

G

K

L

L

D

D

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

I

H
|
H

W
|
W

P

P

I

T

S

G

F

F

K

K

R

P

G

G

V

K

G

E

-

F

F
|
F

P

P

E

L

T

D

R

E

D

S

D

G

F

N

Y

V

T

V

Y

P

L

S

D

D

V

T

P

N

L

I

S

L

Q

D

T

T

W

W

E

A

A

A

M

M

Q

E

A

E

V

L

K

V

K

D

E

E

G

G

L

L

A

V

K

K

H

A

I

I

G

G

V

I

S

S

N
|
N

F

F

N

N

Q

H

E

L

K

Q

L

V

R

E

E

M

I

I

I

L

S

N

L

K

G

P

G

G

-

L

-

K

Q

Y

I

K

P

P

E

A

M

V

N

N

Q
|
Q

V

I

E

E

M

C

H

H

P

P

Y

Y

L

L

A

T

Q

Q

K

E

E

K

L

L

V

I

R

Q

F

Y

C

C

R

Q

E

S

K

K

G

G

I

I

L

V

M

V

T

T

A

A

Y
|
Y

S
|
S

P
|
P

L
|
L

G

G

S
|
S

P
|
P

D
|
D

S

-

R

R

N

P

E
x
W

S

A

H

K

K

P

N

E

D

D

P

P

V

S

L

L

K

E

D

D

P

P

V

R

I

I

E

K

L

A

I

I

A

A

K

A

K

K

H

H

G

N

A

K

S

T

M

T

G
x
A

Q

Q

I

V

L

L

I

I

A

R

W

F

S

P

T

M

A

Q

R

R

D

N

I

L

A

V

V

V

I
|
I

P
|
P

K
|
K

S
|
S

V
|
V

N
x
T

Q

P

G

E

R
|
R

I

I

K

A

E
|
E

N
|
N

L

F

A

K

A

V

S

F

K

D

I

F

K

E

L

L

D

S

Q

S

N

Q

D

D

L

M

M

T

E

T

L

L

D

L

D

S

I

Y

G

N

V

R

D

N

F

W

R

R

active site: D44 (= D43), Y49 (= Y48), K78 (= K77), H111 (= H110)
binding [5-fluoro-2-({[(4,5,7-trifluoro-1,3-benzothiazol-2-yl)methyl]amino}carbonyl)phenoxy]acetic acid: W21 (= W20), V48 (≠ I47), Y49 (= Y48), H111 (= H110), W112 (= W111), F123 (= F121), W220 (≠ E217)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G18), T20 (= T19), W21 (= W20), D44 (= D43), Y49 (= Y48), H111 (= H110), N161 (= N159), Q184 (= Q180), Y210 (= Y206), S211 (= S207), P212 (= P208), L213 (= L209), S215 (= S211), P216 (= P212), D217 (= D213), A246 (≠ G243), I261 (= I258), P262 (= P259), K263 (= K260), S264 (= S261), V265 (= V262), T266 (≠ N263), R269 (= R266), E272 (= E269), N273 (= N270)

Sites not aligning to the query:

1el3A Human aldose reductase complexed with idd384 inhibitor (see paper)
49% identity, 92% coverage: 4:294/315 of query aligns to 5:297/316 of 1el3A

query
sites
1el3A

L

L

T

L

F

L

A

N

N

N

G

G

D

A

K

K

L

M

P

P

I

I

I

L

G

G

L

L

G
|
G

T
|
T

W
|
W

K
|
K

S

S

K

P

P

P

G

G

E

Q

V

V

K

T

Q

E

A

A

V

V

Y

K

W

V

A

A

I

I

E

D

S

V

G

G

Y

Y

R

R

H

H

I

I

D
|
D

C

C

A

A

A

H

I
x
V

Y
|
Y

Q

Q

N

N

E

E

N

N

E

E

V

V

G

G

E

V

G

A

I

I

A

Q

E

E

A

K

I

L

K

R

A

E

G

Q

L

V

V

V

K

K

R

R

E

E

L

L

F

F

V

I

T

V

S

S

K
|
K

L

L

W
|
W

N

C

N

T

S

Y

H

H

K

E

Y

K

E

G

D

L

V

V

K

K

P

G

A

A

L

C

K

Q

T

K

S

T

L

L

A

S

D

D

L

L

G

K

L

L

D

D

Y

Y

V

L

D

D

L

L

Y

Y

L

L

I

I

H
|
H

W
|
W

P

P

I

T

S

G

F

F

K

K

R

P

G

G

V

K

G

E

-

F

F

F

P

P

E

L

T

D

R

E

D

S

D

G

F

N

Y

V

T

V

Y

P

L

S

D

D

V

T