SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_079555960.1 NCBI__GCF_002201795.1:WP_079555960.1 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)

Q00796 Sorbitol dehydrogenase; SDH; (R,R)-butanediol dehydrogenase; L-iditol 2-dehydrogenase; Polyol dehydrogenase; Ribitol dehydrogenase; RDH; Xylitol dehydrogenase; XDH; EC 1.1.1.-; EC 1.1.1.4; EC 1.1.1.14; EC 1.1.1.56; EC 1.1.1.9 from Homo sapiens (Human) (see 10 papers)
32% identity, 97% coverage: 5:350/355 of query aligns to 1:351/357 of Q00796

query
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Q00796

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M1 (= M5) modified: Initiator methionine, Removed
C45 (= C41) binding Zn(2+)
H70 (= H67) binding Zn(2+)
E71 (= E68) binding Zn(2+)
R110 (vs. gap) to P: in HMNR8; results in protein aggregation
H135 (≠ A133) to R: in HMNR8; results in protein aggregation
A153 (= A151) to D: in HMNR8; uncertain significance; results in protein aggregation; dbSNP:rs145813597
I184 (≠ V183) binding NAD(+)
D204 (= D203) binding NAD(+)
R209 (= R208) binding NAD(+)
Q239 (≠ N239) to L: in dbSNP:rs1042079
N269 (≠ K267) to T: in dbSNP:rs930337
VGL 273:275 (≠ IGE 271:273) binding NAD(+)
VFR 297:299 (≠ SW- 295:296) binding NAD(+)
V322 (= V321) to I: in HMNR8; uncertain significance; dbSNP:rs149975952

1pl6A Human sdh/nadh/inhibitor complex (see paper)
32% identity, 95% coverage: 12:350/355 of query aligns to 15:350/356 of 1pl6A

query
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1pl6A

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active site: C44 (= C41), G45 (= G42), S46 (= S43), H49 (≠ R46), H69 (= H67), E70 (= E68), R99 (≠ V99), D102 (= D102), C105 (= C103), S113 (= S110), F117 (vs. gap), P156 (≠ G156), G160 (≠ V160), K344 (= K344)
binding 4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide: C44 (= C41), S46 (= S43), I56 (≠ K55), F59 (≠ E58), H69 (= H67), E155 (≠ A154), L274 (≠ E273), F297 (≠ W296)
binding nicotinamide-adenine-dinucleotide: G181 (= G181), P182 (= P182), I183 (≠ V183), D203 (= D203), L204 (≠ T204), R208 (= R208), C249 (= C248), T250 (≠ S249), V272 (≠ I271), G273 (= G272), L274 (≠ E273), F297 (≠ W296), R298 (vs. gap)
binding zinc ion: C44 (= C41), H69 (= H67)

3qe3A Sheep liver sorbitol dehydrogenase (see paper)
31% identity, 95% coverage: 12:350/355 of query aligns to 10:345/351 of 3qe3A

query
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active site: C39 (= C41), G40 (= G42), S41 (= S43), H44 (≠ R46), H64 (= H67), E65 (= E68), R94 (≠ C97), D97 (≠ C100), C100 (= C103), S108 (= S110), F112 (vs. gap), P151 (≠ G156), G155 (≠ V160), K339 (= K344)
binding glycerol: Y45 (= Y49), F54 (≠ E58), T116 (≠ S113), R293 (vs. gap)
binding zinc ion: C39 (= C41), H64 (= H67), E65 (= E68)

P07846 Sorbitol dehydrogenase; SDH; L-iditol 2-dehydrogenase; Polyol dehydrogenase; Xylitol dehydrogenase; XDH; EC 1.1.1.-; EC 1.1.1.14; EC 1.1.1.9 from Ovis aries (Sheep) (see paper)
31% identity, 95% coverage: 12:350/355 of query aligns to 14:348/354 of P07846

query
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P07846

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G

G

S

S

N

L

T

V

K

R

R

H

F

L

K

Q

E

P

G

G

D

D

R

R

V

V

V

A

I

I

Y

Q

H

P

I

G

S

A

G

P

C

R

G

Q

V

T

C

D

N

E

D

F

C

C

R

K

R

I

G

G

-

R

Y

Y

M

N

I

L

S

S

-

P

-

T

-

I

-

F

C

C

T

A

S

T

P

P

S

P

R

-

A

-

Y

-

G

-

W

-

Q

-

R

D

D

D

G

G

G

N

M

L

A

C

P

R

Y

F

I

Y

V

K

A

H

E

N

E

A

K

N

D

F

C

C

V

Y

L

K

L

L

P

P

D

D

E

N

L

V

T

T

Y

F

V

E

D

E

G

G

A

A

Q

L

I

I

A
x
E

C

-

G

P

F

L

G

S

T

V

V

G

Y

I

E

H

G

A

L

C

E

R

R

R

I

A

G

G

V

V

S

T

G

L

N

G

D

N

A

K

V

V

L

L

V

V

V

C

G

G

L

A

G

G

P

P

V

I

G

G

L

L

A

V

A

N

L

L

M

L

L

A

A

A

K

K

A

A

M

M

G

G

A

A

N

A

H

Q

L

V

V

V

G

V

V

T

D

D

T

L

V

S

K

A

E

S

R

R

C

L

D

S

I

K

A

A

K

K

N

E

L

V

G

G

L

-

A

A

N

D

Q

F

T

I

F

L

V

E

S

I

G

S

S

N

E

E

T

S

L

P

Q

E

E

E

V

I

L

A

N

K

T

K

T

V

Y

E

Q

G

N

L

Q

L

G

G

F

S

-

K

-

P

E

E

K

V

T

T

V

I

D

E

C

C

S

T

G

G

N

V

T

E

H

T

G

S

R

I

Q

Q

L

A

C

G

I

I

R

Y

A

A

T

T

R

H

K

S

W

G

G

G

K

T

M

L

V

V

M

L

I

V

G

G

E

L

G

G

G

S

T

E

V

M

E

T

F

S

N

V

P

P

S

L

P

V

D

H

I

A

H

T

D

R

Q

E

I

V

S

D

I

I

H

K

G

G

S

V

W

F

-
x
R

V
x
Y

T

C

N

N

I

T

W

W

R

P

M

M

E

A

E

-

L

-

V

I

E

S

R

M

L

L

V

A

R

S

W

K

G

S

I

V

H

N

P

V

E

K

D

P

L

L

V

V

T

T

H

H

R

R

F

F

S

P

L

L

N

E

E

K

A

A

D

L

K

E

A

A

Y

F

E

E

L

T

M

S

N

K

E

K

G

G

K

L

C

G

G

L

K

K

V

V

A

M

I

I

V

K

F

C

D

D

C43 (= C41) binding Zn(2+)
Y49 (≠ I48) binding substrate
H67 (= H67) binding Zn(2+)
E68 (= E68) binding Zn(2+)
E153 (≠ A154) binding substrate
R296 (vs. gap) binding substrate
Y297 (≠ V297) binding substrate

P27867 Sorbitol dehydrogenase; SDH; L-iditol 2-dehydrogenase; Polyol dehydrogenase; Xylitol dehydrogenase; XDH; EC 1.1.1.-; EC 1.1.1.14; EC 1.1.1.9 from Rattus norvegicus (Rat) (see paper)
31% identity, 95% coverage: 12:350/355 of query aligns to 16:351/357 of P27867

query
sites
P27867

G

G

N

P

S

G

T

D

V

I

D

R

F

L

K

E

D

N

V

Y

T

P

I

I

P

P

Q

E

P

L

G

G

P

P

G

N

E

D

V

V

L

L

I

L

R

K

M

M

K

H

A

S

S

V

T

G

I

I

C
|
C

G

G

S

S

D

D

I

V

R

H

A

-

I

-

Y

Y

R

W

E

E

H

H

L

G

G

R

K

I

G

G

P

D

E

F

A

V

Y

V

Q

K

N

K

K

P

-

M

I

V

A

L

G

G

H
|
H

E
|
E

P

A

C

A

G

G

Q

T

I

V

V

T

K

K

C

V

G

G

S

P

N

M

T

V

K

K

R

H

F

L

K

K

E

P

G

G

D

D

R

R

V

V

V

A

I

I

Y

E

H

P

I

G

S

V

G

P

C

R

G

E

V

I

C

D

N

E

D

F

C

C

R

K

R

I

G

G

-

R

-

Y

-

N

-

L

-

T

-

P

Y

S

M

I

I

F

S

F

C

C

T

A

S

T

P

P

S

P

R

-

A

-

Y

-

G

-

W

-

Q

-

R

D

D

D

G

G

G

N

M

L

A

C

P

R

Y

F

I

Y

V

K

A

H

E

S

E

A

K

D

D

F

C

C

V

Y

L

K

L

L

P

P

D

D

E

S

L

V

T

T

Y

F

V

E

D

E

G

G

A

A

Q

L

I

I

A
x
E

C

P

G

L

F

S

G

V

T

G

V

I

Y

Y

E

-

G

A

L

C

E

R

R

R

I

G

G

S

V

V

S

S

G

L

N

G

D

N

A

K

V

V

L

L

V

V

V

C

G

G

L

A

G

G

P

P

V

I

G

G

L

I

A

V

A

T

L

L

M

L

L

V

A

A

K

K

A

A

M

M

G

G

A

A

N

S

H

Q

L

V

V

V

G

V

V

I

D
|
D

T

L

V

S

K

A

E

S

R
|
R

C

L

D

A

I

K

A

A

K

K

N

E

L

V

G

G

L

-

A

A

N

D

Q

F

T

T

F

I

V

Q

S

V

G

A

S

K

E

E

T

T

L

P

Q

H

E

D

V

I

L

A

N

K

T

K

T

V

Y

E

Q

S

N

V

Q

L

G

G

F

S

-

K

-

P

E

E

K

V

T

T

V

I

D

E

C

C

S

T

G

G

N

A

T

E

H

S

G

S

R

V

Q

Q

L

T

C

G

I

I

R

Y

A

A

T

T

R

H

K

S

W

G

G

G

K

T

M

L

V

V

M

V

I
x
V

G
|
G

E
x
M

G

G

G

P

T

E

V

M

E

I

F

N

N

L

P

P

S

L

P

V

D

H

I

A

H

V

D

R

Q

E

I

V

S

D

I

I

H

K

G

G

S
x
V

W
x
F

-
x
R

V

Y

T

C

N

N

I

T

W

W

R

P

M

M

E

A

E

-

L

-

V

V

E

S

R

M

L

L

V

A

R

S

W

K

G

T

I

L

H

N

P

V

E

K

D

P

L

L

V

V

T

T

H

H

R

R

F

F

S

P

L

L

N

E

E

K

A

A

D

V

K

E

A

A

Y

F

E

E

L

T

M

A

N

K

E

K

G

G

K

L

C

G

G

L

K

K

V

V

A

M

I

I

V

K

F

C

D

D

C45 (= C41) binding Zn(2+)
H70 (= H67) binding Zn(2+)
E71 (= E68) binding Zn(2+)
E156 (≠ A154) binding Zn(2+)
D204 (= D203) binding NAD(+)
R209 (= R208) binding NAD(+)
VGM 273:275 (≠ IGE 271:273) binding NAD(+)
VFR 297:299 (≠ SW- 295:296) binding NAD(+)

P07913 L-threonine 3-dehydrogenase; TDH; L-threonine dehydrogenase; EC 1.1.1.103 from Escherichia coli (strain K12) (see paper)
28% identity, 97% coverage: 5:350/355 of query aligns to 1:341/341 of P07913

query
sites
P07913

M

M

K

K

A

A

-

L

A

S

Y

K

L

L

P

K

G

A

N

E

S

E

T

G

V

I

D

W

F

M

K

T

D

D

V

V

T

P

I

V

P

P

Q

E

P

L

G

G

P

H

G

N

E

D

V

L

L

L

I

I

R

K

M

I

K

R

A

K

S

T

T

A

I

I

C
|
C

G

G

S

T

D

D

I

V

R

H

A

-

I

I

Y

Y

R

N

E

W

H

D

L

E

G

W

K

S

G

Q

P

K

E

T

A

I

Y

P

Q

V

N

P

K

M

I

V

A

V

G

G

H

H

E

E

P

Y

C

V

G

G

Q

E

I

V

V

V

K

G

C

I

G

G

S

Q

N

E

T

V

K

K

R

G

F

F

K

K

E

I

G

G

D

D

R

R

V

V

V

S

I

G

Y

E

H

G

I

H

S

I

G

T

C

C

G

G

V

H

C

C

N

R

D

N

C

C

R

R

R

G

G

G

Y

R

M

T

I

H

S

L

C

C

T

R

S

N

P

-

S

-

R

T

A

I

A

G

Y

V

G

G

W

V

Q

N

R

R

D

P

G

G

G

C

M

F

A

A

P

E

Y

Y

I

L

V

V

A

I

E

P

E

A

K

F

D

N

C

A

V

F

L

K

L

I

P

P

D

D

E

N

L

I

T

S

Y

D

V

-

D

D

G

L

A

A

Q

A

I

I

A

F

C

D

G

P

F

F

G

G

T

N

V

A

Y

V

E

H

G

T

L

A

E

L

R

S

I

F

G

D

V

L

S

V

G

G

N

E

D

D

A

-

V

V

L

L

V

V

V

S

G

G

L

A

G

G

P

P

V

I

G

G

L

I

A

M

A

A

L

A

M

A

L

V

A

A

K

K

A

H

M

V

G

G

A

A

N

R

H

N

L

V

V

V

G

I

V

T

D

D

T

V

V

N

K

E

E

Y

R

R

C

L

D

E

I

L

A

A

K

R

N

K

L

M

G

G

L

I

A

T

N

R

Q

A

T

V

F

N

V

V

S

A

G

-

S

K

E

E

T

N

L

L

Q

N

E

D

V

V

L

M

N

A

T

E

T

L

Y

G

Q

M

N

T

Q

E

G

G

F

F

E

D

K

V

T

G

V

L

D

E

C

M

S

S

G

G

N

A

T

P

H

P

G

A

R

F

Q

R

L

T

C

M

I

L

R

D

A

T

T

M

R

N

K

H

W

G

G

G

K

R

M

I

V

A

M

M

I

L

G

G

E

I

G

P

T

S

V

D

E

M

F

S

N

I

P

D

S

W

P

T

D

K

I

V

I

I

H

F

D

K

Q

G

I

L

S

F

I

I

H

K

G

G

S

I

W

Y

V

G

T

R

N

E

I

M

W

F

R

E

M

T

E

W

E

Y

L

K

V

M

E

A

R

A

L

L

V

I

R

Q

W

S

G

G

I

L

H

D

P

L

E

S

D

P

L

I

V

I

T

T

H

H

R

R

F

F

S

S

L

I

N

D

E

D

A

F

D

Q

K

K

A

G

Y

F

E

D

L

A

M

M

N

R

E

S

G

G

K

Q

C

S

G

G

K

K

V

V

A

I

I

L

V

S

F

W

D

D

C38 (= C41) mutation to D: Shows only 1% of wild-type catalytic activity. This mutant can be stimulated to the wild-type activity level after incubation with Zn(+).; mutation to S: Loss of catalytic activity. This mutant cannot be stimulated to the wild-type activity level after incubation with Zn(+).

5kiaA Crystal structure of l-threonine 3-dehydrogenase from burkholderia thailandensis
28% identity, 92% coverage: 21:347/355 of query aligns to 17:336/339 of 5kiaA

query
sites
5kiaA

V

V

T

K

I

K

P

P

Q

E

P

V

G

G

P

H

G

N

E

D

V

V

L

L

I

I

R

K

M

I

K

R

A

R

S

T

T

A

I

I

C
|
C

G
|
G

S
x
T

D

D

I

I

R

-

A

-

I

-

Y

-

R

-

E

-

H
|
H

L

I

G

W

K

K

G

W

P

D

E

D

A

W

Y

A

Q

Q

N

K

K

T

I

I

-

P

-

V

-

M

-

H

A

V

G

G

H
|
H

E
|
E

P

Y

C

V

G

G

Q

E

I

I

V

V

K

E

C

M

G

G

S

Q

N

E

T

V

K

R

R

G

F

F

K

S

E

I

G

G

D

D

R

R

V

V

V

S

I

G

Y

E

H

G

I

H

S

I

G

T

C
|
C

G

G

V

F

C
|
C

N

R

D

N

C
|
C

R

R

R

A

G

G

Y

R

M

R

I

H

S

L

C
|
C

T

R

S

N

P

T

S

-

R

-

A
x
V

A

G

Y

V

G

G

W

V

Q

N

R

R

D

E

G

G

G

A

M

F

A

A

P

E

Y

Y

I

L

V

A

A

I

E

P

E

A

K

F

D

N

C

A

V

F

L

K

L

I

P

P

D

P

E

E

L

I

T

S

Y

D

V

-

D

D

G

L

A

A

Q

A

I

I

A

F

C
x
D

G
x
P

F

F

G

G

T
x
N

V
x
A

Y

T

E

H

G

T

L

A

E

L

R

S

I

F

G

N

V

L

S

V

G

G

N

E

D

D

A

-

V

V

L

L

V

I

V

T

G

G

L

A

G

G

P

P

V

I

G

G

L

V

A

M

A

A

L

V

M

A

L

I

A

A

K

K

A

H

M

V

G

G

A

A

N

R

H

N

L

V

V

V

G

I

V

T

D

D

T

I

V

N

K

D

E

Y

R

R

C

L

D

D

I

L

A

A

K

R

N

R

L

M

G

G

L

A

A

T

N

R

Q

A

T

V

F

N

V

V

S

S

G

-

S

R

E

E

T

S

L

L

Q

R

E

D

V

V

L

M

N

A

T

D

T

L

Y

H

Q

M

N

T

Q

E

G

G

F

F

E

D

K

V

T

G

V

L

D

E

C

M

S

S

G

G

N

V

T

P

H

S

G

A

R

F

Q

T

L

S

C

L

I

L

R

E

A

S

T

M

R

N

K

H

W

G

G

G

K

K

M

V

V

A

M

L

I

L

G

G

-

I

-

P

E

A

G

Q

G

T

T

A

V

I

E

D

F

W

N

N

P

-

S

-

P

-

D

Q

I

V

I

I

H

F

D

K

Q

G

I

L

S

E

I

I

H

K

G

G

S

I

W

Y

V

G

T

R

N
x
E

I

M

W

F

R

E

M

T

E

W

E

Y

L

K

V

M

E

V

R

A

L

M

V

L

R

Q

W

S

G

G

I

L

H

D

P

L

E

S

D

P

L

I

V

I

T

T

H

H

R

R

F

F

S

A

L

V

N

D

E

D

A

Y

D

E

K

K

A

G

Y

F

E

A

L

A

M

M

N

L

E

S

G

G

K

E

C

S

G

G

K
|
K

V

V

A

I

I

L

active site: C37 (= C41), G38 (= G42), T39 (≠ S43), H42 (= H52), H61 (= H67), E62 (= E68), C91 (= C97), C94 (= C100), C97 (= C103), C105 (= C111), V109 (≠ A117), P147 (≠ G156), A151 (≠ V160), K333 (= K344)
binding calcium ion: D146 (≠ C155), N150 (≠ T159), E288 (≠ N299)
binding zinc ion: C91 (= C97), C94 (= C100), C97 (= C103), C105 (= C111)

2dfvA Hyperthermophilic threonine dehydrogenase from pyrococcus horikoshii (see paper)
28% identity, 94% coverage: 17:349/355 of query aligns to 16:345/346 of 2dfvA

query
sites
2dfvA

D

E

F

L

K

V

D

E

V

V

T

D

I

V

P

P

Q

K

P

P

G

G

P

P

G

G

E

E

V

V

L

L

I

I

R

K

M

V

K

L

A

A

S

T

T

S

I

I

C
|
C

G
|
G

S
x
T

D

D

I

L

R
x
H

A

-

I

I

Y

Y

R

E

E

W

H

N

L

E

G

W

K

A

G

Q

P

S

E

R

A

I

Y

K

Q

P

N

P

K

Q

I

I

A

M

G

G

H
|
H

E
|
E

P

V

C

A

G

G

Q

E

I

V

V

V

K

E

C

I

G

G

S

P

N

G

T

V

K

E

R

G

F

I

K

E

E

V

G

G

D

D

R

Y

V

V

V

S

I

V

Y

E

H

T

I

H

S

I

G

V

C
|
C

G

G

V

K

C
|
C

N

Y

D

A

C
|
C

R

R

G

G

Y

Q

M

Y

I

H

S

V

C
|
C

T

Q

S

-

P

-

S

N

R

T

A
x
K

A

I

Y

F

G

G

W

V

Q

D

R

T

D

D

G

G

G

V

M

F

A

A

P

E

Y

Y

I

A

V

V

A

V

E

P

E

A

K

Q

D

N

C

I

V

W

L

K

L

N

P

P

D

K

E

S

L

I

T

P

Y

-

V

P

D

E

G

Y

A

A

Q

T

I

L

A

Q

C

E

G
x
P

F

L

G

G

T

N

V
x
A

Y

V

E

D

G

T

L

V

E

L

R

A

I

G

G

P

V

I

S

S

G

G

N

K

D

-

A

S

V

V

L

L

V

I

V

T

G

G

L

A

G
|
G

P
|
P

V
x
L

G

G

L

L

A

L

A

G

L

I

M

A

L

V

A

A

K

K

A

A

M

S

G

G

A

A

N

Y

H

P

L

V

V

I

G

V

V

S

D
x
E

T
x
P

V

S

K

D

E

F

R
|
R

C

R

D

E

I

L

A

A

K

K

N

K

L

V

G

G

L

A

A

D

N

Y

Q

V

T

I

F

N

V

P

S

F

G

E

S

E

E

D

T

V

L

V

Q

K

E

E

V

V

L

M

N

D

T

I

T

T

Y

D

Q

G

N

N

Q

-

G

G

F

V

E

D

K

V

T

F

V

L

D

E

C
x
F

S
|
S

G

G

N
x
A

T

P

H

K

G

A

R

L

Q

E

L

Q

C

G

I

L

R

Q

A

A

T

V

R

T

K

P

W

A

G

G

K

R

M

V

V

S

M

L

I
x
L

G
|
G

-
x
L

E

Y

G

P

G

G

T

K

V

V

E

T

F

I

N

D

P

F

S

N

P

N

D

L

I

I

H

F

D

K

Q

A

I

L

S

T

I

I

H

Y

G

G

S
x
I

W
x
T

V

G

T

R

N

H

I

L

W

W

R

E

M

T

E

W

E

Y

L

T

V

V

E

S

R

R

L

L

V

L

R

Q

W

S

G

G

-

K

I

L

H

N

P

L

E

D

D

P

L

I

V

I

T

T

H

H

R

K

F

Y

S

K

-

G

L

F

N

D

E

K

A

Y

D

E

K

E

A

A

Y

F

E

E

L

L

M

M

N

R

E

A

G

G

K

K

C

T

G

G

K
|
K

V

V

A

V

I

F

V

M

F

L

active site: C40 (= C41), G41 (= G42), T42 (≠ S43), H45 (≠ R46), H65 (= H67), E66 (= E68), C95 (= C97), C98 (= C100), C101 (= C103), C109 (= C111), K113 (≠ A117), P151 (≠ G156), A155 (≠ V160), K340 (= K344)
binding nicotinamide-adenine-dinucleotide: G175 (= G181), P176 (= P182), L177 (≠ V183), E197 (≠ D203), P198 (≠ T204), R202 (= R208), F241 (≠ C248), S242 (= S249), A244 (≠ N251), L264 (≠ I271), G265 (= G272), L266 (vs. gap), I289 (≠ S295), T290 (≠ W296)
binding zinc ion: C95 (= C97), C101 (= C103), C109 (= C111)

O58389 L-threonine 3-dehydrogenase; L-ThrDH; TDH; L-threonine dehydrogenase; EC 1.1.1.103 from Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3) (see 2 papers)
28% identity, 94% coverage: 17:349/355 of query aligns to 18:347/348 of O58389

query
sites
O58389

D

E

F

L

K

V

D

E

V

V

T

D

I

V

P

P

Q

K

P

P

G

G

P

P

G

G

E

E

V

V

L

L

I

I

R

K

M

V

K

L

A

A

S

T

T

S

I

I

C
|
C

G

G

S
x
T

D

D

I

L

R

H

A

-

I

I

Y

Y

R

E

E

W

H

N

L

E

G

W

K

A

G

Q

P

S

E

R

A

I

Y

K

Q

P

N

P

K

Q

I

I

A

M

G

G

H
|
H

E
|
E

P

V

C

A

G

G

Q

E

I

V

V

V

K

E

C

I

G

G

S

P

N

G

T

V

K

E

R

G

F

I

K

E

E

V

G

G

D

D

R

Y

V

V

V

S

I

V

Y

E

H

T

I

H

S

I

G

V

C
|
C

G

G

V

K

C
|
C

N

Y

D

A

C
|
C

R

R

G

G

Y

Q

M

Y

I

H

S

V

C
|
C

T

Q

S

-

P

-

S

N

R

T

A

K

A

I

Y

F

G

G

W

V

Q

D

R

T

D

D

G

G

G

V

M

F

A

A

P

E

Y

Y

I

A

V

V

A

V

E

P

E

A

K

Q

D

N

C

I

V

W

L

K

L

N

P

P

D

K

E

S

L

I

T

P

Y

-

V

P

D

E

G

Y

A

A

Q

T

I

L

A

Q

C
x
E

G

P

F

L

G

G

T

N

V

A

Y

V

E

D

G

T

L

V

E

L

R

A

I

G

G

P

V

I

S

S

G

G

N

K

D

-

A

S

V

V

L

L

V

I

V

T

G

G

L

A

G

G

P

P

V
x
L

G

G

L

L

A

L

A

G

L

I

M

A

L

V

A

A

K

K

A

A

M

S

G

G

A

A

N

Y

H

P

L

V

V

I

G

V

V

S

D
x
E

T

P

V

S

K

D

E

F

R
|
R

C

R

D

E

I

L

A

A

K

K

N

K

L

V

G

G

L

A

A

D

N

Y

Q

V

T

I

F

N

V

P

S

F

G

E

S

E

E

D

T

V

L

V

Q

K

E

E

V

V

L

M

N

D

T

I

T

T

Y

D

Q

G

N

N

Q

-

G

G

F

V

E

D

K

V

T

F

V

L

D

E

C

F

S

S

G

G

N

A

T

P

H

K

G

A

R

L

Q

E

L

Q

C

G

I

L

R

Q

A

A

T

V

R

T

K

P

W

A

G

G

K

R

M

V

V

S

M

L

I
x
L

G
|
G

-
x
L

E

Y

G

P

G

G

T

K

V

V

E

T

F

I

N

D

P

F

S

N

P

N

D

L

I

I

H

F

D

K

Q

A

I

L

S

T

I

I

H

Y

G

G

S
x
I

W
x
T

V

G

T
x
R

N

H

I

L

W

W

R

E

M

T

E

W

E

Y

L

T

V

V

E

S

R

R

L

L

V

L

R

Q

W

S

G

G

-

K

I

L

H

N

P

L

E

D

D

P

L

I

V

I

T

T

H

H

R

K

F

Y

S

K

-

G

L

F

N

D

E

K

A

Y

D

E

K

E

A

A

Y

F

E

E

L

L

M

M

N

R

E

A

G

G

K

K

C

T

G

G

K

K

V

V

A

V

I

F

V

M

F

L

C42 (= C41) binding Zn(2+)
T44 (≠ S43) mutation to A: Total loss of enzymatic activity.
H67 (= H67) binding Zn(2+)
E68 (= E68) binding Zn(2+)
C97 (= C97) binding Zn(2+)
C100 (= C100) binding Zn(2+)
C103 (= C103) binding Zn(2+)
C111 (= C111) binding Zn(2+)
E152 (≠ C155) mutation E->A,Q: Almost complete loss of enzymatic activity.; mutation to C: 120-fold decrease in catalytic efficiency.; mutation to D: Shows 3-fold higher turnover rate and reduced affinities toward L-threonine and NAD(+), compared to wild-type.; mutation to K: Total loss of enzymatic activity.
L179 (≠ V183) binding NAD(+)
E199 (≠ D203) binding NAD(+); mutation to A: Large decrease in affinity for NAD(+).
R204 (= R208) binding NAD(+); mutation to A: Large decrease in affinity for NAD(+).
LGL 266:268 (≠ IG- 271:272) binding NAD(+)
IT 291:292 (≠ SW 295:296) binding NAD(+)
R294 (≠ T298) mutation to A: 4000-fold decrease in catalytic efficiency.

1lluA The ternary complex of pseudomonas aeruginosa alcohol dehydrogenase with its coenzyme and weak substrate (see paper)
29% identity, 90% coverage: 1:320/355 of query aligns to 2:318/341 of 1lluA

query
sites
1lluA

M

L

E

P

T

Q

S

T

M

M

K

K

A

A

Y

V

L

V

P

H

G

A

-

Y

N

G

S

A

T

P

V

L

D

R

F

I

K

E

D

E

V

V

T

K

I

V

P

P

Q

L

P

P

G

G

P

P

G

G

E

Q

V

V

L

L

I

V

R

K

M

I

K

E

A

A

S

S

T

G

I

V

C
|
C

G
x
H

S
x
T

D

D

I
x
L

R
x
H

A

A

I

A

Y

E

R

G

E
x
D

H

W

L

P

G

V

K

K

G

P

P

P

E

L

A

P

Y

F

Q

-

N

-

K

-

I

I

A

P

G

G

H
|
H

E
|
E

P

G

C

V

G

G

Q

Y

I

V

V

A

K

A

C

V

G

G

S

S

N

G

T

V

K

T

R

R

F

V

K

K

E

E

G

G

D

D

R

R

V

V

V

G

I

I

-

P

Y
x
W

H

L

I

Y

S

T

G

A

C
|
C

G

G

V

C

C
|
C

N

E

D

H

C
|
C

R

L

R

T

G

G

Y

W

M

E

I

T

S

L

C
|
C

T

E

S

S

P

Q

S
x
Q

R

N

A

T

A

-

Y

-

G

G

W

Y

Q

S

R

V

D

N

G

G

M

Y

A

A

P

E

Y

Y

I

V

V

L

A

A

E

D

E

P

K

N

D

Y

C

V

V

G

L

I

L

L

P

P

D

K

E

N

L

V

T

E

Y

F

V

A

D

E

G

I

A

A

Q

P

I

I

A

L

C
|
C

G

A

F

G

G

V

T
|
T

V

V

Y

Y

E

K

G

G

L

L

E

K

R

Q

I

T

G

N

V

A

S

R

G

P

N

G

D

Q

A

W

V

V

L

A

V

I

V

S

G

G

L

I

G
|
G

P
x
G

V
x
L

G

G

L

H

A

V

A

A

L

V

M

Q

L

Y

A

A

K

R

A

A

M

M

G

G

A

L

N

-

H

H

L

V

V

A

G

A

V

I

D
|
D

T
x
I

V

D

K

D

E

A

R
x
K

C

L

D

E

I

L

A

A

K

R

N

K

L

L

G

G

L

-

A

A

N

S

Q

L

T

T

F

V

V

N

S

A

G

R

S

Q

E

E

T

D

L

P

Q

V

E

E

V

A

L

I

N

Q

T

R

T

D

Y

I

Q

G

N

G

Q

A

G

H

F

G

E

V

K

L

T

V

V

T

D
x
A

C
x
V

S
|
S

G

N

N

S

T
x
A

H

F

G

G

R

Q

Q

-

L

-

C

A

I

I

R

G

A

M

T

A

R

R

K

R

W

G

G

G

K

T

M

I

V

A

M

L

I
x
V

G

G

E
x
L

G

P

T

G

V

D

E

F

F

P

N

T

P

P

S

I

P

F

D

D

I

V

H

L

D

K

Q

G

I

L

S

H

I

I

H

A

G

G

S

S

W
x
I

V
|
V

T

G

N

T

I

R

W

A

R

D

M

L

E

Q

E

E

L

A

V

L

-

D

-

F

-

A

-

G

E

E

R

G

L

L

V

V

R

K

W

A

G

T

I

I

H

H

P

P

E

G

D

K

L

L

active site: C43 (= C41), H44 (≠ G42), T45 (≠ S43), H48 (≠ R46), H66 (= H67), E67 (= E68), C97 (= C97), C100 (= C100), C103 (= C103), C111 (= C111), Q115 (≠ S115), C153 (= C155), T157 (= T159)
binding 1,2-ethanediol: H44 (≠ G42), T45 (≠ S43), L47 (≠ I45), D53 (≠ E51), W92 (≠ Y92), C153 (= C155)
binding nicotinamide-adenine-dinucleotide: C43 (= C41), H44 (≠ G42), T45 (≠ S43), H48 (≠ R46), C153 (= C155), T157 (= T159), G179 (= G181), G180 (≠ P182), L181 (≠ V183), D200 (= D203), I201 (≠ T204), K205 (≠ R208), A243 (≠ D247), V244 (≠ C248), S245 (= S249), A248 (≠ T252), V265 (≠ I271), L267 (≠ E273), I290 (≠ W296), V291 (= V297)
binding zinc ion: C43 (= C41), H66 (= H67), C100 (= C100), C103 (= C103), C111 (= C111), C153 (= C155)

Sites not aligning to the query:

active site: 336
binding nicotinamide-adenine-dinucleotide: 336

3fpcA Chimera of alcohol dehydrogenase by exchange of the cofactor binding domain res 153-294 of t. Brockii adh by e. Histolytica adh (see paper)
28% identity, 89% coverage: 24:339/355 of query aligns to 20:339/352 of 3fpcA

query
sites
3fpcA

P

P

Q

A

P

P

G

G

P

P

G

F

E

D

V

A

L

I

I

V

R

R

M

P

K

L

A

A

S

V

T

A

I

P

C
|
C

G
x
T

S
|
S

D

D

I

I

R
x
H

A

T

I

V

Y

F

R

E

E

G

H

A

L

I

G

G

K

E

G

-

P

-

E

-

A

-

Y

R

Q

H

N

N

K

M

I

I

A

L

G

G

H
|
H

E
|
E

P

A

C

V

G

G

Q

E

I

V

V

V

K

E

C

V

G

G

S

S

N

E

T

V

K

K

R

D

F

F

K

K

E

P

G

G

D

D

R

R

V

V

I

V

Y

P

H

A

I

I

S

T

G

P

C
x
D

G

W

V

R

C
x
T

N

S

D

E

C
x
V

R

Q

R

R

G

G

Y

Y

M

H

I

-

S

-

C

-

T

Q

S

H

P
x
S

S

G

R

G

A

M

A

L

Y

A

G

G

W

W

Q

K

-

F

-

S

-

N

-

V

R

K

D

D

G

G

G

V

M

F

A

G

P

E

Y

F

I

F

V

H

A

V

E

N

E

D

K

A

D

D

C

M

V

N

L

L

-

A

-

H

L

L

P

P

D

K

E

E

L

I

T

P

Y

L

V

E

D

A

G

A

A

V

Q

M

I

I

A

P

C
x
D

G

M

F

M

G

T

T
|
T

V

G

Y

F

E

H

G

G

L

A

E

E

R

L

I

A

G

N

V

I

S

K

G

L

N

G

D

D

A

T

V

V

L

C

V

V

V

I

G

G

L

I

G

G

P

P

V

V

G

G

L

L

A

M

A

S

L

V

M

A

L

G

A

A

K

N

A

H

M

L

G

G

A

A

N

G

H

R

L

I

V

F

G

A

V

V

D

G

T

S

V

R

K

K

E

H

R

C

C

C

D

D

I

I

A

A

K

L

N

E

L

Y

G

G

L

A

A

T

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D

Q

I

T

I

F

N

V

Y

S

K

G

N

S

G

E

D

T

I

L

V

Q

E

E

Q

V

I

L

L

N

K

T

A

T

T

Y

-

Q

D

N

G

Q

K

G

G

F

V

E

D

K

K

T

V

V

V

D

I

C

A

S

G

G

G

N

D

T

V

H

H

G

T

R

F

Q

A

L

Q

C

A

I

V

R

K

A

M

T

I

R

K

-

P

-

G

-

S

K

D

W

I

G

G

K

N

M

V

V

N

M

Y

I

L

G

G

E

E

G

G

G

D

T

N

V

I

E

D

F

I

N

P

P

R

S

S

P

E

-

W

D

G

I

V

I

G

H

M

D

G

Q

H

I

K

S

H

I

I

H

H

G

G

S

G

W

L

V

C

T

P

-

G

N

G

I

R

W

L

R

R

M

M

E

E

E

R

L

L

V

I

E

D

R

L

L

V

V

F

R

Y

W

K

G

R

I

V

H

D

P

P

E

S

D

K

L

L

V

V

T

T

H

H

R

V

F

F

-

R

S

G

L

F

N

D

E

N

A

I

D

E

K

K

A

A

Y

F

E

M

L

L

M

M

N

K

E

D

active site: C37 (= C41), T38 (≠ G42), S39 (= S43), H42 (≠ R46), H59 (= H67), E60 (= E68), D89 (≠ C97), T92 (≠ C100), V95 (≠ C103), S103 (≠ P114), D150 (≠ C155), T154 (= T159)
binding zinc ion: C37 (= C41), H59 (= H67), D150 (≠ C155)

Sites not aligning to the query:

active site: 346

3s2fE Crystal structure of furx nadh:furfural
28% identity, 97% coverage: 5:349/355 of query aligns to 3:338/340 of 3s2fE

query
sites
3s2fE

M

M

K

K

A

A

Y

V

L

V

P

R

G

A

-

F

N

G

S

A

T

P

V

L

D

T

F

I

K

D

D

E

V

V

T

P

I

V

P

P

Q

Q

P

P

G

G

P

P

G

G

E

Q

V

V

L

Q

I

V

R

K

M

I

K

E

A

A

S

S

T

G

I

V

C
|
C

G
x
H

S
x
T

D

D

I

L

R
x
H

A

A

I

A

Y

D

R

G

E

D

H
x
W

L

P

G

V

K

K

G

P

P

T

E

L

A

P

Y

F

Q

-

N

-

K

-

I

I

A

P

G

G

H
|
H

E
|
E

P

G

C

V

G

G

Q

Y

I

V

V

S

K

A

C

V

G

G

S

S

N

G

T

V

K

S

R

R

F

V

K

K

E

E

G

G

D

D

R

R

V

V

-

G

V

V

I

P

Y
x
W

H

L

I

Y

S

S

G

A

C
|
C

G

G

V

Y

C
|
C

N

E

D

H

C
|
C

R

L

R

Q

G

G

Y

W

M

E

I

T

S

L

C
|
C

T

E

S

K

P

Q

S
x
Q

R

N

A

T

A

-

Y

-

G

G

W

Y

Q

S

R

V

D

N

G

G

M

Y

A

G

P

E

Y

Y

I

V

V

V

A

A

E

D

E

P

K

N

D

Y

C

V

V

G

L

L

P

P

D

D

E

K

L

V

T

G

Y

F

V

V

D

E

G

I

A

A

Q

P

I

I

A

L

C
|
C

G

A

F

G

G

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T
|
T

V

V

Y

Y

E

K

G

G

L

L

E

K

R

V

I

T

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D

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T

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R

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N

G

D

Q

A

W

V

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G
|
G

L

I

G
|
G

P
x
G

V
x
L

G

G

L

H

A

V

A

A

L

V

M

Q

L

Y

A

A

K

R

A

A

M

M

G

G

A

L

N

-

H

R

L

V

V

A

G

A

V

V

D
|
D

T
x
I

V

D

K

D

E

A

R
x
K

C

L

D

N

I

L

A

A

K

R

N

R

L

L

G

G

L

-

A

-

N

A

Q

E

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V

F

A

V

V

S

N

G

A

S

R

E

D

T

T

L

D

Q

P

E

A

V

A

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N

-

T

-

Y

-

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-

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-

Q

-

G

-

F

L

E

Q

K

K

T

E

V

I

D

-

C

-

S

-

G

G

N

G

T

A

H

H

G

G

R

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Q

L

L

V

C
x
T

I
x
A

R
x
V

A

S

T

P

R

K

K

A

W

F

G

S

K

Q

M

A

V

I

-

G

M

M

I

V

G

R

E

R

G

G

T

T

V

I

E

A

F

L

N
|
N

P
x
G

S
x
L

P

P

-

P

-

G

-

D

-

F

-

G

-

T

-

P

-

I

-

F

D

D

I

V

H

L

D

K

Q

G

I

I

S

T

I

I

H

R

G

G

S

S

W
x
I

V
|
V

T

G

N

T

I

R

W

S

R

D

M

L

E

Q

E

E

L

S

V

L

E

D

R

-

L

-

V

-

R

-

W

F

G

A

I

A

H

H

P

G

E

D

D

V

L

K

V

A

T

T

-

V

H

S

R

T

F

A

S

K

L

L

N

D

E

D

A

V

D

N

K

D

A

V

Y

F

E

G

L

R

M

L

N

R

E

E

G

G

K

K

C

V

-

E

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G

K
x
R

V

V

A

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I

L

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D

F

F

active site: C40 (= C41), H41 (≠ G42), T42 (≠ S43), H45 (≠ R46), H63 (= H67), E64 (= E68), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), Q112 (≠ S115), C150 (= C155), T154 (= T159), R333 (≠ K344)
binding furfural: T42 (≠ S43), W51 (≠ H52), H63 (= H67), W89 (≠ Y92), C150 (= C155), I287 (≠ W296)
binding nicotinamide-adenine-dinucleotide: C40 (= C41), H41 (≠ G42), T42 (≠ S43), C150 (= C155), T154 (= T159), G174 (= G179), G176 (= G181), G177 (≠ P182), L178 (≠ V183), D197 (= D203), I198 (≠ T204), K202 (≠ R208), T239 (≠ C258), A240 (≠ I259), V241 (≠ R260), N262 (= N280), G263 (≠ P281), L264 (≠ S282), I287 (≠ W296), V288 (= V297), R333 (≠ K344)
binding zinc ion: C40 (= C41), H63 (= H67), C94 (= C97), C97 (= C100), C100 (= C103), C108 (= C111), C150 (= C155)

3s2fA Crystal structure of furx nadh:furfural
28% identity, 97% coverage: 5:349/355 of query aligns to 3:338/340 of 3s2fA

query
sites
3s2fA

M

M

K

K

A

A

Y

V

L

V

P

R

G

A

-

F

N

G

S

A

T

P

V

L

D

T

F

I

K

D

D

E

V

V

T

P

I

V

P

P

Q

Q

P

P

G

G

P

P

G

G

E

Q

V

V

L

Q

I

V

R

K

M

I

K

E

A

A

S

S

T

G

I

V

C
|
C

G
x
H

S
x
T

D

D

I

L

R
x
H

A

A

I

A

Y

D

R

G

E

D

H

W

L

P

G

V

K

K

G

P

P

T

E

L

A

P

Y

F

Q

-

N

-

K

-

I

I

A

P

G

G

H
|
H

E
|
E

P

G

C

V

G

G

Q

Y

I

V

V

S

K

A

C

V

G

G

S

S

N

G

T

V

K

S

R

R

F

V

K

K

E

E

G

G

D

D

R

R

V

V

-

G

V

V

I

P

Y
x
W

H

L

I

Y

S

S

G

A

C
|
C

G

G

V

Y

C
|
C

N

E

D

H

C
|
C

R

L

R

Q

G

G