SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_087506849.1 NCBI__GCF_002165625.1:WP_087506849.1 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)

4ilkA Crystal structure of short chain alcohol dehydrogenase (rspb) from e. Coli cft073 (efi target efi-506413) complexed with cofactor nadh
32% identity, 93% coverage: 1:314/339 of query aligns to 4:313/337 of 4ilkA

query
sites
4ilkA

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active site: C40 (= C37), G41 (= G38), S42 (≠ T39), H45 (= H42), H59 (= H59), E60 (= E60), C89 (= C89), C92 (= C92), C95 (= C95), C103 (= C103), A107 (≠ S107), P145 (≠ C145), A149 (≠ S149)
binding manganese (ii) ion: C40 (= C37), H59 (= H59), E60 (= E60), E144 (= E144)
binding 1,4-dihydronicotinamide adenine dinucleotide: G168 (= G168), G170 (= G170), P171 (= P171), I172 (= I172), D193 (= D191), R194 (≠ V192), R198 (= R196), N213 (≠ D215), A235 (= A235), A236 (≠ T236), C237 (≠ G237), I241 (≠ S241), M258 (≠ I258), F260 (≠ L260)
binding zinc ion: C89 (= C89), C92 (= C92), C95 (= C95), C103 (= C103)

Sites not aligning to the query:

active site: 332

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)
31% identity, 92% coverage: 1:312/339 of query aligns to 5:322/348 of O58389

query
sites
O58389

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C42 (= C37) binding Zn(2+)
T44 (= T39) mutation to A: Total loss of enzymatic activity.
H67 (= H59) binding Zn(2+)
E68 (= E60) binding Zn(2+)
C97 (= C89) binding Zn(2+)
C100 (= C92) binding Zn(2+)
C103 (= C95) binding Zn(2+)
C111 (= C103) binding Zn(2+)
E152 (= E144) 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 (≠ I172) binding NAD(+)
E199 (≠ D191) binding NAD(+); mutation to A: Large decrease in affinity for NAD(+).
R204 (= R196) binding NAD(+); mutation to A: Large decrease in affinity for NAD(+).
LGL 266:268 (≠ IGL 258:260) binding NAD(+)
IT 291:292 (≠ SS 281:282) binding NAD(+)
R294 (≠ N284) mutation to A: 4000-fold decrease in catalytic efficiency.

2dfvA Hyperthermophilic threonine dehydrogenase from pyrococcus horikoshii (see paper)
31% identity, 92% coverage: 1:312/339 of query aligns to 3:320/346 of 2dfvA

query
sites
2dfvA

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active site: C40 (= C37), G41 (= G38), T42 (= T39), H45 (= H42), H65 (= H59), E66 (= E60), C95 (= C89), C98 (= C92), C101 (= C95), C109 (= C103), K113 (≠ S107), P151 (≠ C145), A155 (≠ S149)
binding nicotinamide-adenine-dinucleotide: G175 (= G170), P176 (= P171), L177 (≠ I172), E197 (≠ D191), P198 (≠ V192), R202 (= R196), F241 (≠ A235), S242 (≠ T236), A244 (≠ N238), L264 (≠ I258), G265 (= G259), L266 (= L260), I289 (≠ S281), T290 (≠ S282)
binding zinc ion: C95 (= C89), C101 (= C95), C109 (= C103)

Sites not aligning to the query:

active site: 340

Q5JI69 L-threonine 3-dehydrogenase; TDH; L-threonine dehydrogenase; EC 1.1.1.103 from Thermococcus kodakarensis (strain ATCC BAA-918 / JCM 12380 / KOD1) (Pyrococcus kodakaraensis (strain KOD1)) (see paper)
31% identity, 92% coverage: 1:312/339 of query aligns to 5:322/350 of Q5JI69

query
sites
Q5JI69

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S

A

A

V

H

D

A

T

V

V

R

L

R

A

A

G

E

P

V

I

K

-

A

A

G

G

E

R

R

S

V

T

L

L

Q

I

I

T

G

G

A

A

G

G

P

P

I
x
L

G

G

I

L

A

L

A

G

A

I

A

A

I

V

A

A

K

K

A

A

N

S

G

G

A

A

-

Y

Q

P

V

V

V

I

V

V

A

S

D
x
E

V

P

S

S

Q

E

A

F

R
|
R

R

R

Q

K

H

L

I

A

E

K

N

K

V

V

L

G

G

A

V

D

P

Y

A

V

L

V

D

N

P

P

L

F

A

E

D

E

D

D

Y

P

E

V

S

K

Q

F

L

V

K

M

E

D

A

I

F

T

G

D

G

G

R

A

L

G

A

V

C

E

T

V

V

F

M

L

D

E

A

F

T

S

G

G

N

A

K

P

Q

K

S

A

M

L

S

E

R

Q

S

G

I

L

E

K

L

A

I

V

R

T

H

P

G

G

K

R

V

V

V

S

F

L

I
x
L

G
|
G

L
|
L

Y

F

I

P

G

R

D

E

L

V

V

T

L

I

D

D

D

F

P

N

T

N

-

L

-

I

F

F

H

K

K

A

K

L

E

E

T

V

T

H

L

G

L
x
I

S
x
T

S

G

R

R

N

H

A

-

T

L

R

W

E

E

D

T

F

W

Q

Y

R

T

V

V

I

S

E

S

L

L

M

I

E

Q

Q

S

G

G

L

K

I

L

S

N

E

L

D

D

I

P

M

I

K

I

N

T

Q

H

D

K

Y

Y

L179 (≠ I172) binding NAD(+)
E199 (≠ D191) binding NAD(+)
R204 (= R196) binding NAD(+)
LGL 266:268 (≠ IGL 258:260) binding NAD(+)
IT 291:292 (≠ LS 280:281) binding NAD(+)

3gfbA L-threonine dehydrogenase (tktdh) from the hyperthermophilic archaeon thermococcus kodakaraensis (see paper)
31% identity, 92% coverage: 1:312/339 of query aligns to 3:320/347 of 3gfbA

query
sites
3gfbA

M

M

K

Q

T

A

L

I

I

M

C

K

N

T

E

K

P

P

-

A

F

Y

A

G

I

A

E

E

Y

L

V

V

E

E

R

V

D

D

M

V

P

P

A

K

V

P

A

G

A

P

N

G

E

E

V

V

L

L

L

I

K

K

V

V

K

L

A

A

V

T

G

S

I

I

C
|
C

G
|
G

T
|
T

D

D

I

L

H
|
H

A

I

Y

Y

A

E

G

W

R

N

-

E

-

W

-

A

Q

Q

P

S

F

R

F

I

S

K

Y

P

P

P

R

Q

V

I

L

M

G

G

H
|
H

E
|
E

I

V

C

A

G

G

E

E

V

V

E

E

L

V

G

G

A

P

D

G

C

V

K

E

E

D

A

L

Q

Q

V

V

G

G

D

D

R

Y

C

I

S

S

V

V

I

E

P

T

C

H

I

I

P

V

C
|
C

G

G

E

K

C
|
C

P

Y

A

A

C
|
C

E

K

D

H

G

N

K

R

T

Y

N

H

C

V

C
|
C

E

Q

N

N

V

T

S
x
K

L

I

Y

F

G

G

V

V

H

D

Q

M

D

D

G

G

G

V

F

F

T

A

E

H

F

Y

L

A

S

I

V

V

L

P

E

A

D

K

N

N

L

A

I

W

K

K

L

N

P

P

A

K

T

D

I

M

T

P

P

P

S

E

Q

Y

G

A

A

A

L

L

I

Q

E

E

C
x
P

F

L

G

G

I

N

S
x
A

A

V

H

D

A

T

V

V

R

L

R

A

A

G

E

P

V

I

K

-

A

A

G

G

E

R

R

S

V

T

L

L

Q

I

I

T

G
|
G

A

A

G
|
G

P
|
P

I
x
L

G

G

I

L

A

L

A

G

A

I

A

A

I

V

A

A

K

K

A

A

N

S

G

G

A

A

-

Y

Q

P

V

V

V

I

V

V

A
x
S

D
x
E

V
x
P

S

S

Q

E

A

F

R
|
R

R

R

Q

K

H

L

I

A

E

K

N

K

V

V

L

G

G

A

V

D

P

Y

A

V

L

V

D

N

P

P

L

F

A

E

D

E

D

D

Y

P

E

V

S

K

Q

F

L

V

K

M

E

D

A

I

F

T

G

D

G

G

R

A

L

G

A

V

C

E

T

V

V

F

M

L

D

E

A
x
F

T
x
S

G

G

N
x
A

K

P

Q

K

S

A

M

L

S

E

R

Q

S

G

I

L

E

K

L

A

I

V

R

T

H

P

G

G

K

R

V

V

V

S

F

L

I
x
L

G
|
G

L
|
L

Y

F

I

P

G

R

D

E

L

V

V

T

L

I

D

D

D

F

P

N

T

N

-

L

-

I

F

F

H

K

K

A

K

L

E

E

T

V

T

H

L

G

L
x
I

S
x
T

S

G

R

R

N

H

A

-

T

L

R

W

E

E

D

T

F

W

Q

Y

R

T

V

V

I

S

E

S

L

L

M

I

E

Q

Q

S

G

G

L

K

I

L

S

N

E

L

D

D

I

P

M

I

K

I

N

T

Q

H

D

K

Y

Y

active site: C40 (= C37), G41 (= G38), T42 (= T39), H45 (= H42), H65 (= H59), E66 (= E60), C95 (= C89), C98 (= C92), C101 (= C95), C109 (= C103), K113 (≠ S107), P151 (≠ C145), A155 (≠ S149)
binding nicotinamide-adenine-dinucleotide: G173 (= G168), G175 (= G170), P176 (= P171), L177 (≠ I172), S196 (≠ A190), E197 (≠ D191), P198 (≠ V192), R202 (= R196), F241 (≠ A235), S242 (≠ T236), A244 (≠ N238), L264 (≠ I258), G265 (= G259), L266 (= L260), I289 (≠ L280), T290 (≠ S281)

Sites not aligning to the query:

active site: 340

7y9pA Xylitol dehydrogenase s96c/s99c/y102c mutant(thermostabilized form) from pichia stipitis (see paper)
30% identity, 98% coverage: 3:333/339 of query aligns to 5:344/357 of 7y9pA

query
sites
7y9pA

T

S

L

L

I

V

C

L

N

N

E

K

P

I

F

D

A

D

I

I

E

S

Y

F

V

E

E

T

R

Y

D

D

M

A

P

P

A

E

V

I

A

S

-

E

A

P

N

T

E

D

V

V

L

L

L

V

K

Q

V

V

K

K

A

K

V

T

G

G

I

I

C
|
C

G

G

T

S

D

D

I

I

H

H

A

F

Y

Y

A

A

-

H

G

G

R

R

Q

I

P

G

F

N

F

F

-

V

-

L

S

T

Y

K

P

P

R

M

V

V

L

L

G

G

H
|
H

E
|
E

I

S

C

A

G

G

E

T

V

V

E

Q

L

V

G

G

A

K

D

G

C

V

K

T

E

S

A

L

Q

K

V

V

G

G

D

D

R

N

C

V

S

A

V

I

I

E

P

P

C

G

I

I

P

P

C
|
C

G

R

E

F

C
|
C

P

D

A

E

C
|
C

E

K

D

S

G

G

K

H

T

Y

N

N

C

L

C
|
C

E

P

N

H

V

M

S

A

L

F

Y

A

G

A

V

T

H

P

Q

N

D

E

-

P

-

N

-

P

G

G

G

T

F

L

T

C

E

K

F

Y

L

F

S

K

V

S

L

P

E

E

D

D

N

F

L

L

I

V

K

K

L

L

P

P

A

D

T

H

I

V

T

S

P

L

S

E

Q

L

G

G

A

A

L

L

I

V

E

E

C

P

F

L

G

S

I

V

S

G

A

V

H

H

A

A

V

S

R

K

R

L

A

G

E

S

V

V

K

A

A

F

G

G

E

D

R

Y

V

V

L

A

Q

V

I

F

G

G

A

A

G

G

P

P

I

V

G

G

I

L

A

L

A

A

I

V

A

A

K

K

A

T

N

F

G

G

A

A

Q

K

-

G

V

V

V

I

V

V

A

V

D

D

V

I

S

F

Q

D

A

N

R

K

R

L

Q

K

H

M

I

A

E

K

N

D

V

I

L

G

G

A

V

A

P

T

A

H

L

T

D

F

P

N

L

S

A

K

D

T

D

G

Y

G

E

S

S

E

Q

E

L

L

K

I

E

K

A

A

F

F

G

G

R

N

L

V

A

P

C

N

T

V

V

V

M

L

D

E

A

C

T

T

G

G

N

A

K

E

Q

P

S

C

M

I

S

K

R

L

S

G

I

V

E

D

L

A

I

I

R

A

H

P

G

G

K

R

V

F

V

V

F

Q

I

V

G

G

L

N

Y

A

I

A

G

G

D

P

L

V

V

S

L

F

D

P

D

I

P

T

T

V

F

F

H

A

K

M

K

K

E

E

T

L

T

T

L

L

L

F

S

G

S

S

R

F

N

R

A

Y

T

G

R

F

E

N

D

D

F

Y

Q

K

R

T

V

A

I

V

E

G

L

I

M

F

E

D

Q

T

G

N

L

Y

I

-

S

-

E

Q

D

N

I

G

M

R

K

E

N

N

Q

A

D

P

Y

I

D

D

F

F

A

E

T

Q

F

L

-

I

G

T

N

H

N

R

Y

Y

K

K

-

F

E

K

D

D

V

A

V

I

E

E

N

A

K

Y

S

D

L

L

I

V

K

R

binding zinc ion: C40 (= C37), H65 (= H59), E66 (= E60), C95 (= C89), C98 (= C92), C101 (= C95), C109 (= C103)

4ej6A Crystal structure of a putative zinc-binding dehydrogenase (target psi-012003) from sinorhizobium meliloti 1021
34% identity, 72% coverage: 19:261/339 of query aligns to 22:266/343 of 4ej6A

query
sites
4ej6A

M

I

P

P

A

E

V

P

A

G

A

P

N

D

E

D

V

L

L

L

L

V

K

K

V

V

K

E

A

A

V

C

G

G

I

I

C
|
C

G
|
G

T
|
T

D

D

I

R

H
|
H

A

L

Y

L

A

H

G

G

R

E

Q

F

P

P

F

S

F

-

S

T

Y

P

P

P

R

V

V

T

L

L

G

G

H
|
H

E
|
E

I

F

C

C

G

G

E

I

V

V

E

E

L

A

G

G

A

S

D

A

C

V

K

R

E

D

A

I

Q

A

V

P

G

G

D

A

R

R

C

I

S

T

V

G

I

D

P

P

C

N

I

I

P

S

C
|
C

G

G

E

R

C
|
C

P

P

A

Q

C
|
C

E

Q

D

A

G

G

K

R

T

V

N

N

C

L

C
|
C

E

R

N

N

V

L

S
x
R

L

A

Y

I

G

G

V

I

H

H

Q

R

D

D

G

G

F

F

T

A

E

E

F

Y

L

V

S

L

V

V

L

P

E

R

D

K

N

Q

L

A

I

F

K

E

L

I

P

P

A

L

T

T

I

L

T

D

P

P

S

V

Q

H

G

G

A

A

L

F

I

C

E

E

C
x
P

F

L

G

A

I

C

S
x
C

A

L

H

H

A

G

V

V

R

D

R

L

A

S

E

G

V

I

K

K

A

A

G

G

E

S

R

T

V

V

L

A

Q

I

I

L

G

G

A

G

G

G

P

V

I

I

G

G

I

L

A

L

A

T

A

V

A

Q

I

L

A

A

K

R

A

L

N

A

G

G

A

A

Q

T

V

T

V

V

V

I

A

L

D

S

V

T

S

R

Q

Q

A

A

R

T

R

K

Q

R

H

R

I

L

E

A

N

E

V

E

L

V

G

G

V

A

P

T

A

A

-

T

L

V

D

D

P

P

L

S

A

A

D

G

D

D

Y

-

E

-

S

-

Q

-

L

V

K

V

E

E

A

A

F

I

G

A

G

G

R

P

L

V

A

G

C

L

-

V

-

P

-

G

-

V

-

D

T

V

V

V

M

I

D

E

A

C

T

A

G

G

N

V

K

A

Q

E

S

T

M

V

S

K

R

Q

S

S

I

T

E

R

L

L

I

A

R

K

H

A

G

G

K

T

V

V

F

I

I

L

G

G

L

V

Y

L

active site: C40 (= C37), G41 (= G38), T42 (= T39), H45 (= H42), H61 (= H59), E62 (= E60), C91 (= C89), C94 (= C92), C97 (= C95), C105 (= C103), R109 (≠ S107), P147 (≠ C145), C151 (≠ S149)
binding zinc ion: C91 (= C89), C94 (= C92), C97 (= C95), C105 (= C103)

Sites not aligning to the query:

active site: 337

4ejmA Crystal structure of a putative zinc-binding dehydrogenase (target psi-012003) from sinorhizobium meliloti 1021 bound to NADP
34% identity, 72% coverage: 19:261/339 of query aligns to 22:266/342 of 4ejmA

query
sites
4ejmA

M

I

P

P

A

E

V

P

A

G

A

P

N

D

E

D

V

L

L

L

L

V

K

K

V

V

K

E

A

A

V

C

G

G

I

I

C
|
C

G
|
G

T
|
T

D

D

I

R

H
|
H

A

L

Y

L

A

H

G

G

R

E

Q

F

P

P

F

S

F

-

S

T

Y

P

P

P

R

V

V

T

L

L

G

G

H
|
H

E
|
E

I

F

C

C

G

G

E

I

V

V

E

E

L

A

G

G

A

S

D

A

C

V

K

R

E

D

A

I

Q

A

V

P

G

G

D

A

R

R

C

I

S

T

V

G

I

D

P

P

C

N

I

I

P

S

C
|
C

G

G

E

R

C
|
C

P

P

A

Q

C
|
C

E

Q

D

A

G

G

K

R

T

V

N

N

C

L

C
|
C

E

R

N

N

V

L

S
x
R

L

A

Y

I

G

G

V

I

H

H

Q

R

D

D

G

G

F

F

T

A

E

E

F

Y

L

V

S

L

V

V

L

P

E

R

D

K

N

Q

L

A

I

F

K

E

L

I

P

P

A

L

T

T

I

L

T

D

P

P

S

V

Q

H

G

G

A

A

L

F

I

C

E

E

C
x
P

F

L

G

A

I

C

S
x
C

A

L

H

H

A

G

V

V

R

D

R

L

A

S

E

G

V

I

K

K

A

A

G

G

E

S

R

T

V

V

L

A

Q

I

I

L

G
|
G

A

G

G
|
G

P
x
V

I
|
I

G

G

I

L

A

L

A

T

A

V

A

Q

I

L

A

A

K

R

A

L

N

A

G

G

A

A

Q

T

V

T

V

V

V

I

A

L

D

S

V
x
T

S
x
R

Q
|
Q

A

A

R

T

R
x
K

Q

R

H

R

I

L

E

A

N

E

V

E

L

V

G

G

V

A

P

T

A

A

-

T

L

V

D

D

P

P

L

S

A

A

D

G

D

D

Y

-

E

-

S

-

Q

-

L

V

K

V

E

E

A

A

F

I

G

A

G

G

R

P

L

V

A

G

C

L

-

V

-

P

-

G

-

V

-

D

T

V

V

V

M

I

D

E

A
x
C

T

A

G

G

N

V

K

A

Q
x
E

S
x
T

M

V

S

K

R

Q

S

S

I

T

E

R

L

L

I

A

R

K

H

A

G

G

K

T

V

V

F

I

I
x
L

G

G

L
x
V

Y

L

active site: C40 (= C37), G41 (= G38), T42 (= T39), H45 (= H42), H61 (= H59), E62 (= E60), C91 (= C89), C94 (= C92), C97 (= C95), C105 (= C103), R109 (≠ S107), P147 (≠ C145), C151 (≠ S149)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G170 (= G168), G172 (= G170), V173 (≠ P171), I174 (= I172), T194 (≠ V192), R195 (≠ S193), Q196 (= Q194), K199 (≠ R197), C240 (≠ A235), E245 (≠ Q240), T246 (≠ S241), L263 (≠ I258), V265 (≠ L260)
binding zinc ion: C91 (= C89), C94 (= C92), C97 (= C95), C105 (= C103)

Sites not aligning to the query:

active site: 337
binding nadp nicotinamide-adenine-dinucleotide phosphate: 291

5vm2A Crystal structure of eck1772, an oxidoreductase/dehydrogenase of unknown specificity involved in membrane biogenesis from escherichia coli
28% identity, 99% coverage: 5:339/339 of query aligns to 7:346/347 of 5vm2A

query
sites
5vm2A

I

I

C

L

N

Q

E

V

P

P

F

G

A

T

I

M

E

K

Y

I

V

I

E

S

R

A

D

E

M

I

P

P

A

V

V

P

A

K

A

E

N

D

E

E

V

V

L

L

L

I

K

K

V

V

K

E

A

Y

V

V

G

G

I

I

C
|
C

G
|
G

T
x
S

D

D

I

V

H
|
H

A

G

Y

F

A

E

G

S

R

-

Q

G

P

P

F

F

F

I

S

P

Y

-

P

P

R

K

-

D

-

P

-

N

-

Q

-

E

-

I

V

G

L

L

G

G

H
|
H

E
|
E

I

C

C

A

G

G

E

T

V

V

E

A

L

V

G

G

A

S

D

R

C

V

K

R

E

K

A

F

Q

K

V

P

G

G

D

D

R

R

C

V

S

N

V

I

I

E

P

P

C

G

I

V

P

P

C
|
C

G

G

E

H

C
|
C

P

R

A

Y

C
|
C

E

L

D

E

G

G

K

K

T

Y

N

N

C

I

C
|
C

E

P

N

D

V

V

S
x
D

L

F

Y

M

G

A

V

T

H

Q

Q

P

D

N

-

Y

-

R

G

G

G

A

F

L

T

T

E

H

F

Y

L

L

S

C

V

H

L

P

E

E

D

S

N

F

L

T

I

Y

K

K

L

L

P

P

A

D

T

N

I

M

T

D

P

T

S

M

Q

E

G

G

A

T

L

L

I

V

E
|
E

C
x
P

F

A

G

A

I

V

S
x
G

A

M

H

H

A

A

V

A

R

M

R

L

A

A

E

D

V

V

K

K

A

P

G

G

E

K

R

K

V

I

L

I

Q

I

I

L

G

G

A

A

G

G

P

C

I

I

G

G

I

L

A

M

A

T

A

L

A

Q

I

A

A

C

K

K

A

C

N

L

G

G

A

A

-

T

Q

E

V

I

V

A

V

V

A

V

D

D

V

V

S

L

Q

E

A

K

R

R

R

L

Q

A

H

M

I

A

E

E

N

Q

V

L

L

G

G

A

V

T

P

V

A

V

L

I

D

N

P

G

L

A

A

K

D

E

D

D

Y

T

E

I

S

A

Q

R

L

C

K

Q

E

Q

A

F

F

T

G

E

G

D

R

M

L

G

A

A

C

D

T

I

V

V

M

F

D

E

A

T

T

A

G

G

N

S

K

A

Q

V

S

T

M

V

S

K

R

Q

S

A

I

P

E

Y

L

L

I

V

R

M

H

R

G

G

K

K

V

I

V

M

F

I

I

V

G

G

L

T

Y

V

I

P

G

G

D

A

L

S

V

A

L

I

D

N

D

F

P

L

T

K

F

I

H

N

K

R

K

E

E

V

T

T

T

I

L

Q

L

T

S

V

S

F

R

R

N

Y

A

A

T

N

R

R

E

-

D

-

F

Y

Q

P

R

V

V

T

I

I

E

E

L

A

M

I

E

S

Q

S

G

G

L

R

I

F

S

D

E

V

D

K

I

S

M

M

K

V

N

T

Q

H

D

I

Y

Y

D

D

F

Y

A

R

T

D

F

V

G

Q

N

Q

N

A

Y

F

K

E

E

E

D

S

V

V

V

N

E

N

N

K

K

R

S

D

L

I

I

I

K
|
K

G

G

V

V

I

I

N

K

F

I

S

S

active site: C39 (= C37), G40 (= G38), S41 (≠ T39), H44 (= H42), H65 (= H59), E66 (= E60), C95 (= C89), C98 (= C92), C101 (= C95), C109 (= C103), D113 (≠ S107), P153 (≠ C145), G157 (≠ S149), K340 (= K333)
binding magnesium ion: H65 (= H59), E66 (= E60), E152 (= E144)
binding zinc ion: C95 (= C89), C98 (= C92), C101 (= C95), C109 (= C103)

1e3jA Ketose reductase (sorbitol dehydrogenase) from silverleaf whitefly (see paper)
36% identity, 72% coverage: 16:260/339 of query aligns to 17:269/348 of 1e3jA

query
sites
1e3jA

E

Q

R

R

D

P

M

I

P

P

A

E

V

P

A

K

A

E

N

D

E

E

V

V

L

L

K

Q

V

M

K

A

A

Y

V

V

G

G

I

I

C
|
C

G
|
G

T
x
S

D

D

I

V

H
|
H

A

Y

Y

Y

A

E

-

H

G

G

R

R

Q

I

P

A

F

D

F

F

-

I

-

V

S

K

Y

D

P

P

R

M

V

V

L

I

G

G

H
|
H

E
|
E

I

A

C

S

G

G

E

T

V

V

E

K

L

V

G

G

A

K

D

N

C

V

K

K

E

H

A

L

Q

K

V

K

G

G

D

D

R

R

C

V

S

A

V

V

I

E

P

P

C

G

I

V

P

P

C
|
C

G

R

E

R

C
|
C

P

Q

A

F

C
|
C

E

K

D

E

G

G

K

K

T

Y

N

N

C

L

C
|
C

E

P

N

D

V

L

S
x
T

L

F

Y

C

G

A

V

T

H

P

-

P

Q

D

D

D

G

G

G

N

F

L

T

A

E

R

F

Y

L

Y

S

V

V

H

L

A

E

A

D

D

N

F

L

C

I

H

K

K

L

L

P

P

A

D

T

N

I

V

T

S

P

L

S

E

Q

E

G

G

A

A

L

L

I

L

E

E

C
x
P

F

L

G

S

I

V

S
x
G

A

V

H

H

A

A

V

C

R

R

A

A

E

G

V

V

K

Q

A

L

G

G

E

T

R

T

V

V

L

L

Q

V

I

I

G

G

A
|
A

G

G

P

P

I

I

G

G

I

L

A

V

A

S

A

V

A

L

I

A

A

A

K

K

A

A

N

Y

G

G

A

A

Q

F

V

V

V

C

A

T

D
x
A

V
x
R

S
|
S

Q

P

A

R

R
|
R

R

L

Q

E

H

V

I

A

E

K

N

N

V

C

L

G

G

A

V

D

P

V

A

T

L

L

-

V

D

D

P

P

L

A

A

K

D

E

Y

E

E

S

S

S

-

I

-

E

Q

R

L

I

K

R

E

S

A

A

F

I

G

G

G

D

R

-

L

L

A

P

C

N

T

V

V

T

M

I

D

D

A

C

T

S

G

G

N

N

K

E

Q

K

S

C

M

I

S

T

R

I

S

G

I

I

E

N

L

I

I

T

R

R

H

T

G

G

K

T

V

L

V

M

F

L

I

V

G

G

L

M

active site: C38 (= C37), G39 (= G38), S40 (≠ T39), H43 (= H42), H63 (= H59), E64 (= E60), C93 (= C89), C96 (= C92), C99 (= C95), C107 (= C103), T111 (≠ S107), P150 (≠ C145), G154 (≠ S149)
binding phosphate ion: A174 (= A169), A196 (≠ D191), R197 (≠ V192), S198 (= S193), R201 (= R196)
binding zinc ion: C38 (= C37), H63 (= H59), E64 (= E60), C93 (= C89), C96 (= C92), C99 (= C95), C107 (= C103)

Sites not aligning to the query:

active site: 341

P07913 L-threonine 3-dehydrogenase; TDH; L-threonine dehydrogenase; EC 1.1.1.103 from Escherichia coli (strain K12) (see paper)
32% identity, 76% coverage: 11:268/339 of query aligns to 12:272/341 of P07913

query
sites
P07913

A

G

I

I

E

W

Y

M

V

T

E

D

R

V

D

P

M

V

P

P

A

E

V

L

A

G

A

H

N

N

E

D

V

L

L

L

L

I

K

K

V

I

K

R

A

K

V

T

G

A

I

I

C
|
C

G

G

T

T

D

D

I

V

H

H

A

I

Y

Y

-

N

-

W

-

D

A

E

G

W

R

S

Q

Q

P

K

F

T

F

I

S

P

Y

V

P

P

R

M

V

V

L

V

G

G

H

H

E

E

I

Y

C

V

G

G

E

E

V

V

E

G

L

I

G

G

A

Q

D

E

C

V

K

K

E

G

A

F

Q

K

V

I

G

G

D

D

R

R

C

V

S

S

V

G

I

E

P

G

C

H

I

I

P

T

C

C

G

G

E

H

C

C

P

R

A

N

C

C

E

R

D

G

G

G

K

R

T

T

N

H

C

L

C

C

E

R

N

N

V

T

S

I

L

G

Y

V

G

G

V

V

H

N

Q

R

D

P

G

G

G

C

F

F

T

A

E

E

F

Y

L

L

S

V

V

I

L

P

E

A

D

F

N

N

L

A

I

F

K

K

L

I

P

P

A

D

T

N

I

I

T

S

P

D

S

D

Q

L

G

A

A

A

L

I

I

F

E

D

C

P

F

F

G

G

I

N

S

A

A

V

H

H

A

T

V

A

R

L

R

S

A

F

E

D

V

L

K

-

A

V

G

G

E

E

R

D

V

V

L

L

Q

V

I

S

G

G

A

A

G

G

P

P

I

I

G

G

I

I

A

M

A

A

I

V

A

A

K

K

A

H

N

V

G

G

A

A

Q

R

-

N

V

V

V

I

A

T

D

D

V

V

S

N

Q

E

A

Y

R

R

R

L

Q

E

H

-

I

L

E

A

N

R

V

K

L

M

G

G

V

I

P

T

A

R

L

A

D

V

P

N

L

V

A

A

D

K

D

E

Y

N

E

L

S

N

Q

D

L

V

K

M

E

A

A

E

F

L

G

G

G

M

R

T

L

E

A

G

C

F

T

D

V

V

-

G

M

L

D

E

A

M

T

S

G

G

N

A

K

P

Q

P

S

A

M

F

S

R

R

T

S

M

I

L

E

D

L

T

I

M

R

N

H

H

G

G

K

R

V

I

V

A

F

M

I

L

G

G

L

I

Y

P

I

P

G

S

D

D

L

M

V

S

L

I

D

D

C38 (= C37) 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(+).

1rjwA Crystal structure of NAD(+)-dependent alcohol dehydrogenase from bacillus stearothermophilus strain lld-r (see paper)
31% identity, 88% coverage: 7:306/339 of query aligns to 10:308/339 of 1rjwA

query
sites
1rjwA

N

K

E

E

P

P

F

L

A

K

I

I

E

K

Y

E

V

V

E

E

R

K

D

-

M

-

P

P

A

T

V

I

A

S

A

Y

N

G

E

E

V

V

L

L

L

V

K

R

V

I

K

K

A

A

V

C

G

G

I

V

C
|
C

G
x
H

T
|
T

D

D

I

L

H
|
H

A

A

Y

A

A

H

G

G

R

D

Q

W

P

P

F

V

F

K

-

P

S

K

Y

L

P

P

R

L

V

I

L

P

G

G

H
|
H

E
|
E

I

G

C

V

G

G

E

I

V

V

V

E

E

E

L

V

G

G

A

P

D

G

C

V

K

T

E

H

A

L

Q

K

V

V

G

G

D

D

R

R

C

V

S

G

V

-

I

I

P

P

C

W

I

L

-

Y

-

S

P

A

C
|
C

G

G

E

H

C
|
C

P

D

A

Y

C
|
C

E

L

D

S

G

G

K

Q

T

E

N

T

C

L

C
|
C

E

E

N

H

V

Q

S
x
K

L

N

Y

A

G

G

V

Y

H

S

Q

V

D

D

G

G

F

Y

T

A

E

E

F

Y

L

C

S

R

V

A

L

A

E

A

D

D

N

Y

L

V

I

V

K

K

L

I

P

P

A

D

T

N

I

L

T

S

P

F

S

E

Q

E

G

A

A

A

L

P

I

I

E

F

C
|
C

F

A

G

G

I

V

S
x
T

A

T

H

Y

-

K

A

A

V

L

R

K

R

V

A

T

E

G

V

A

K

K

A

P

G

G

E

E

R

W

V

V

L

A

Q

I

I

Y

G

G

A

I

G

G

P

G

I

L

G

G

I

H

A

V

A

A

A

V

A

Q

I

Y

A

A

K

K

A

A

N

M

G

G

A

L

Q

N

V

V

V

A

A

V

D

D

V

I

S

G

Q

D

A

E

R

K

R

L

Q

E

H

L

I

A

E

K

N

E

V

L

L

G

G

A

V

D

P

L

A

V

L

V

D

N

P

P

L

L

A

K

D

E

D

D

Y

A

E

A

S

K

Q

F

L

M

K

K

E

E

A

K

F

V

G

G

R

V

L

H

A

A

C

A

T

V

V

V

M

T

D

A

A

V

T

S

G

-

N

-

K

K

Q

P

S

A

M

F

S

Q

R

S

S

A

I

Y

E

N

L

S

I

I

R

R

H

R

G

G

K

A

V

C

V

V

F

L

I

V

G

G

L

L

Y

P

I

P

G

E

D

E

L

M

V

P

L

I

D

-

P

P

T

I

F

F

H

D

K

T

-

V

-

L

K

N

E

G

T

I

T

K

L

I

S

G

S

S

R
x
I

N

V

A

G

T

T

R

R

E

K

D

D

F

L

Q

Q

R

E

V

A

I

L

E

Q

L

F

M

A

E

A

Q

E

G

G

L

K

I

V

S

K

E

T

D

I

I

I

active site: C38 (= C37), H39 (≠ G38), T40 (= T39), H43 (= H42), H61 (= H59), E62 (= E60), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103), K110 (≠ S107), C148 (= C145), T152 (≠ S149)
binding trifluoroethanol: T40 (= T39), C148 (= C145), I285 (≠ R283)
binding zinc ion: C38 (= C37), H61 (= H59), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103)

Sites not aligning to the query:

active site: 331

3piiA Crystal structure of mutant of ht- alcohol dehydrogenase with substrate analogue butyramide
31% identity, 88% coverage: 7:306/339 of query aligns to 10:308/337 of 3piiA

query
sites
3piiA

N

K

E

E

P

P

F

L

A

K

I

I

E

K

Y

E

V

V

E

E

R

K

D

-

M

-

P

P

A

T

V

I

A

S

A

Y

N

G

E

E

V

V

L

L

L

V

K

R

V

I

K

K

A

A

V

C

G

G

I

V

C
|
C

G
x
H

T
|
T

D

D

I

L

H
|
H

A

A

Y

A

A

H

G

G

R

D

Q

W

P

P

F

V

F

K

-

P

S

K

Y

L

P

P

R

L

V

I

L

P

G

G

H
|
H

E
|
E

I

G

C

V

G

G

E

I

V

V

V

E

E

E

L

V

G

G

A

P

D

G

C

V

K

T

E

H

A

L

Q

K

V

V

G

G

D

D

R

R

C

V

S

G

V

-

I

I

P

P

C
x
W

I

L

-

Y

-

S

P

A

C
|
C

G

G

E

H

C
|
C

P

D

A

Y

C
|
C

E

L

D

S

G

G

K

Q

T

E

N

T

C

L

C
|
C

E

E

N

H

V

Q

S
x
K

L

N

Y

A

G

G

V

Y

H

S

Q

V

D

D

G

G

F

Y

T

A

E

E

F

Y

L

C

S

R

V

A

L

A

E

A

D

D

N

Y

L

V

I

V

K

K

L

I

P

P

A

D

T

N

I

L

T

S

P

F

S

E

Q

E

G

A

A

A

L

P

I

I

E

F

C
|
C

F

A

G

G

I

V

S
x
T

A

T

H

Y

-

K

A

A

V

L

R

K

R

V

A

T

E

G

V

A

K

K

A

P

G

G

E

E

R

W

V

V

L

A

Q

I

I

Y

G

G

A

I

G

G

P

G

I

F

G

G

I

H

A

V

A

A

A

V

A

Q

I

Y

A

A

K

K

A

A

N

M

G

G

A

L

Q

N

V

V

V

A

A

V

D

D

V

I

S

G

Q

D

A

E

R

K

R

L

Q

E

H

L

I

A

E

K

N

E

V

L

L

G

G

A

V

D

P

L

A

V

L

V

D

N

P

P

L

L

A

K

D

E

D

D

Y

A

E

A

S

K

Q

F

L

M

K

K

E

E

A

K

F

V

G

G

R

V

L

H

A

A

C

A

T

V

V

V

M

T

D

A

A

V

T

S

G

-

N

-

K

K

Q

P

S

A

M

F

S

Q

R

S

S

A

I

Y

E

N

L

S

I

I

R

R

H

R

G

G

K

A

V

C

V

V

F

L

I

V

G

G

L

L

Y

P

I

P

G

E

D

E

L

M

V

P

L

I

D

-

P

P

T

I

F

F

H

D

K

T

-

V

-

L

K

N

E

G

T

I

T

K

L

I

S

G

S

S

R

I

N

V

A

G

T

T

R

R

E

K

D

D

F

L

Q

Q

R

E

V

A

I

L

E

Q

L

F

M

A

E

A

Q

E

G

G

L

K

I

V

S

K

E

T

D

I

I

I

active site: C38 (= C37), H39 (≠ G38), T40 (= T39), H43 (= H42), H61 (= H59), E62 (= E60), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103), K110 (≠ S107), C148 (= C145), T152 (≠ S149)
binding butyramide: T40 (= T39), H61 (= H59), W87 (≠ C86), C148 (= C145)
binding zinc ion: C38 (= C37), H61 (= H59), E62 (= E60), C92 (= C89), C95 (= C92), C98 (= C95), C106 (= C103), C148 (= C145)

Sites not aligning to the query:

active site: 331

5kiaA Crystal structure of l-threonine 3-dehydrogenase from burkholderia thailandensis
31% identity, 89% coverage: 1:301/339 of query aligns to 2:304/339 of 5kiaA

query
sites
5kiaA

M

M

K

K

T

A

L

L

I

A

C

K

N

L

E

E

P

P

F

-

A

G

I

L

E

T

Y

L

V

T

E

R

R

V

D

K

M

K

P

P

A

E

V

V

A

G

A

H

N

N

E

D

V

V

L

L

L

I

K

K

V

I

K

R

A

R

V

T

G

A

I

I

C
|
C

G
|
G

T
|
T

D

D

I

I

H
|
H

A

I

Y

W

A

K

G

W

R

D

Q

D

P

W

F

A

F

Q

S

K

Y

T

P

I

R

P

V

V

L

M

-

H

-

V

G

G

H
|
H

E
|
E

I

Y

C

V

G

G

E

E

V

I

V

V

E

E

L

M

G

G

A

Q

D

E

C

V

K

R

E

G

A

F

Q

S

V

I

G

G

D

D

R

R

C

V

S

S

V

G

I

E

P

G

C

H

I

I

P

T

C
|
C

G

G

E

F

C
|
C

P

R

A

N

C
|
C

E

R

D

A

G

G

K

R

T

R

N

H

C

L

C
|
C

E

R

N

N

V

T

S
x
V

L

G

Y

V

G

G

V

V

H

N

Q

R

D

E

G

G

G

A

F

F

T

A

E

E

F

Y

L

L

S

A

V

I

L

P

E

A

D

F

N

N

L

A

I

F

K

K

L

I

P

P

A

P

T

E

I

I

T

S

P

D

S

D

Q

L

G

A

A

A

L

I

I

F

E
x
D

C
x
P

F

F

G

G

I
x
N

S
x
A

A

T

H

H

A

T

V

A

R

L

R

S

A

F

E

N

V

L

K

-

A

V

G

G

E

E

R

D

V

V

L

L

Q

I

I

T

G

G

A

A

G

G

P

P

I

I

G

G

I

V

A

M

A

A

A

V

A

A

I

I

A

A

K

K

A

H

N

V

G

G

A

A

Q

R

-

N

V

V

V

I

A

T

D

D

V

I

S

N

Q

D

-

Y

-

R

-

L

-

D

-

L

A

A

R

R

Q

M

H

G

I

A

E

T

N

R

V

A

L

V

G

N

V

V

-

S

-

R

-

E

P

S

A

L

L

R

D

D

P

V

L

M

A

A

D

D

D

-

Y

-

E

-

S

L

Q

H

L

M

K

T

E

E

A

G

F

F

G

D

G

-

R

-

L

-

A

-

C

-

T

V

V

G

M

L

D

E

A

M

T

S

G

G

N

V

K

P

Q

S

S

A

M

F

S

T

R

S

S

L

I

L

E

E

L

S

I

M

R

N

H

H

G

G

K

K

V

V

V

A

F

L

I

L

G

G

L

I

Y

P

I

P

G

A

D

Q

L

T

V

A

L

I

D

D

-

W

-

N

D

Q

P

V

T

I

F

F

H

K

K

G

K

L

E

E

T

I

T

K

L

G

L

I

S

Y

S

G

R

R

N
x
E

A

M

T

F

R

-

E

E

D

T

F

W

Q

Y

R

K

V

M

I

V

E

A

L

M

M

L

E

Q

Q

S

G

G

L

L

active site: