SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_036831366.1 NCBI__GCF_000775615.1:WP_036831366.1 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)

Q8NMB0 Vanillin dehydrogenase; Aromatic aldehyde dehydrogenase; EC 1.2.1.67; EC 1.2.1.64; EC 1.2.1.96 from Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / BCRC 11384 / CCUG 27702 / LMG 3730 / NBRC 12168 / NCIMB 10025 / NRRL B-2784 / 534) (see paper)
49% identity, 96% coverage: 9:476/485 of query aligns to 12:481/484 of Q8NMB0

query
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Q8NMB0

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N157 (= N154) mutation to A: Less than 50% of the activity of the wild-type with vanillin as substrate in the presence of NAD(+). Less than 10% of the activity of the wild-type with vanillin as substrate in the presence of NADP(+). 4.5-fold decreased affinity for NAD(+), 11-fold decreased affinity for NADP(+) and 2.3-fold decreased affinity for vanillin compared to the wild type.
K180 (= K177) mutation to A: Less than 50% of the activity of the wild-type with vanillin as substrate in the presence of NAD(+). Less than 10% of the activity of the wild-type with vanillin as substrate in the presence of NADP(+). 4.5-fold decreased affinity for NAD(+), 11-fold decreased affinity for NADP(+) and 5-fold decreased affinity for vanillin compared to the wild type.
E199 (≠ Q196) mutation to A: Less than 50% of the activity of the wild-type with vanillin as substrate in the presence of NAD(+). 78% of the activity of the wild-type with vanillin as substrate in the presence of NADP(+). 5-fold decreased affinity for NAD(+), 2.5-fold decreased affinity for NADP(+) and 1.5-fold decreased affinity for vanillin compared to the wild type.
E258 (= E253) mutation to A: Less than 50% of the activity of the wild-type with vanillin as substrate in the presence of NAD(+). 24% of the activity of the wild-type with vanillin as substrate in the presence of NADP(+). 3.5-fold decreased affinity for NAD(+), 5-fold decreased affinity for NADP(+) and 3.7-fold decreased affinity for vanillin compared to the wild type.
C292 (= C287) mutation to A: Less than 50% of the activity of the wild-type with vanillin as substrate in the presence of NAD(+). Less than 10% of the activity of the wild-type with vanillin as substrate in the presence of NADP(+). 4.5-fold decreased affinity for NAD(+), 7-fold decreased affinity for NADP(+) and 8-fold decreased affinity for vanillin compared to the wild type.

5ekcE Thermostable aldehyde dehydrogenase from pyrobaculum sp.1860 complexed with NADP+
36% identity, 98% coverage: 10:484/485 of query aligns to 10:484/490 of 5ekcE

query
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5ekcE

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active site: N154 (= N154), K177 (= K177), E252 (= E253), C286 (= C287), E381 (= E381), E459 (≠ L459)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I150 (= I150), T151 (≠ S151), P152 (= P152), W153 (≠ F153), K177 (= K177), S180 (≠ E180), G210 (≠ I211), G214 (= G215), F228 (= F229), G230 (= G231), E231 (≠ S232), T234 (≠ V235), N331 (= N331), R333 (≠ K333), Q334 (= Q334)

5ek6A Thermostable aldehyde dehydrogenase from pyrobaculum sp. 1860 complexed with NADP and isobutyraldehyde (see paper)
36% identity, 98% coverage: 10:484/485 of query aligns to 3:477/482 of 5ek6A

query
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G

N

S

S

D

A

P

F

L

I

I

L

L

D

D

A

V

D

D

L

V

D

D

Y

Y

A

A

V

A

E

R

A

L

A

A

T

V

F

F

S

A

R

S

F

L

T

F

H

H

Q

Q

G

G

Q

Q

I

I

C
|
C

M

T

S

S

A

A

N

K

R

R

I

I

L

I

V

V

H

H

S

K

S

A

L

V

Y

A

E

D

D

K

F

F

K

I

Q

E

K

R

Y

Y

K

V

A

H

K

Y

V

V

S

K

S

M

L

L

K

R

V

I

G

D

D

D

P

P

S

R

D

K

P

D

E

E

T

K

V

V

-

D

I

L

G

G

P

P

V

L

I

I

N

N

E

E

K

R

Q

Q

A

V

K

A

G

L

L

M

E

K

T

E

L

F

I

V

N

D

K

D

G

A

I

V

K

S

E

R

G

G

A

G

V

R

P

L

L

L

L

I

K

G

G

G

K

R

I

S

E

W

G

G

N

N

V

F

H

E

P

P

T

A

I

I

L

F

T

V

D

D

V

V

T

D

P

R

A

N

M

F

C

R

V

I

A

M

Q

R

E

E

E
|
E

L

V

F

F

G

G

P

P

V

V

V

R

T

P

V

I

M

V

P

V

F

V

N

E

T

N

D

D

A

D

E

Q

A

A

I

V

S

E

M

V

A

A

N

N

D

D

T

T

T

D

F

Y

G

G

L

L

S

S

G

G

A

A

V

V

H

L

T

T

S

N

N

N

I

V

D

N

R

R

G

A

V

F

Q

R

F

I

A

A

Q

E

N

A

I

V

E

E

T

S

G

G

M

M

I

F

H

H

V

I

N

N

D

D

I

V

T

T

I

F

N

L

D

E

E

E

P

S

I

H

V

V

A

P

F
|
F

G

G

E

I

K

K

H

A

S

S

G

G

I

V

G

G

R

R

L
x
E

N

G

G

G

Q

E

W

W

S

S

L

F

E

H

E

E

F

T

T

T

T

Y

M

D

K

R

W

W

V

V

S

T

V

V

N

T

Y

L

K

R

Q

T

R

R

T

R

F

F

P

P

active site: N147 (= N154), K170 (= K177), E245 (= E253), C279 (= C287), E374 (= E381), E452 (≠ L459)
binding 2-methylpropanal: I152 (≠ L159), K155 (= K162), T222 (= T230), E245 (= E253), F441 (= F448)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I143 (= I150), T144 (≠ S151), W146 (≠ F153), N147 (= N154), I152 (≠ L159), K170 (= K177), A172 (≠ H179), S173 (≠ E180), P202 (≠ D210), G203 (≠ I211), G207 (= G215), F221 (= F229), T222 (= T230), G223 (= G231), E224 (≠ S232), T227 (≠ V235), I231 (= I239), E245 (= E253), L246 (= L254), C279 (= C287), E374 (= E381)

4h73A Thermostable aldehyde dehydrogenase from pyrobaculum sp. Complexed with NADP+
36% identity, 98% coverage: 10:484/485 of query aligns to 3:477/482 of 4h73A

query
sites
4h73A

S

N

F

Y

I

I

E

N

G

G

K

E

W

F

V

K

E

E

G

P

N

S

G

T

H

G

R

A

L

F

L

Q

P

V

N

K

T

T

N

S

P

P

Y

V

N

D

G

G

E

S

T

K

F

I

V

A

T

E

F

V

Q

P

L

R

A

S

N

G

E

R

Q

E

D

D

V

A

D

R

R

E

A

A

Y

I

K

D

S

S

A

A

K

F

Q

E

A

A

Q

L

G

K

E

A

W

W

M

A

K

N

V

I

N

P

P

A

Y

I

Q

R

K

R

R

A

T

E

V

Y

L

L

E

Y

K

K

A

M

L

L

T

E

Y

V

I

F

E

R

E

Q

H

M

E

K

E

E

E

D

I

F

T

M

E

K

I

I

I

L

I

T

K

V

E

E

L

G

G

G

T

T

R

Y

L

R

K

K

A

V

A

W

F

G

E

E

I

V

G

V

L

F

V

T

I

E

N

R

I

L

L

I

K

Q

E

N

A

A

T

E

Y

L

P

A

L

R

R

H

M

Y

E

Q

G

G

R

R

I

V

L

L

P

Q

S

S

P

D

V

S

D

E

G

S

K

T

E

I

N

S

R

V

L

V

Y

F

R

K

K

R

P

S

V

K

G

G

V

V

G

G

V

V

I
|
I

S
x
T

P
|
P

F
x
W

N
|
N

F

Y

P

P

F

L

F

S

L

I

S

S

M

M

K

K

S

K

V

I

A

A

P

H

A

T

I

L

G

A

A

V

G

G

N

N

G

T

V

V

L

Y

K
|
K

P

P

H
x
A

E
x
S

H

D

S

T

P

P

I

V

T

T

G

G

G

-

T

W

L

L

I

I

A

A

E

Q

I

M

F

V

D

A

Q

K

A

A

G

G

L

L

P

P

K

K

G

G

L

V

L

F

N

N

V

L

V

V

V

I

T

G

D

P

I
x
G

E

P

E

V

I

V

G
|
G

D

E

A

E

F

I

I

V

E

T

H

H

S

K

I

R

P

V

T

A

I

H

I

V

S

T

F
|
F

T

T

G
|
G

S
x
E

T

S

A

S

V
x
T

G

G

K

R

H

E

I

I

G

A

Q

A

K

K

A

A

I

A

Q

G

H

T

F

L

K

K

K

T

P

V

I

T

L

L

E
|
E

L

L

G

G

N

S

S

D

A

P

F

L

I

I

L

L

D

D

A

V

D

D

L

V

D

D

Y

Y

A

A

V

A

E

R

A

L

A

A

T

V

F

F

S

A

R

S

F

L

T

F

H

H

Q

Q

G

G

Q

Q

I

I

C
|
C

M

T

S

S

A

A

N

K

R

R

I

I

L

I

V

V

H

H

S

K

S

A

L

V

Y

A

E

D

D

K

F

F

K

I

Q

E

K

R

Y

Y

K

V

A

H

K

Y

V

V

S

K

S

M

L

L

K

R

V

I

G

D

D

D

P

P

S

R

D

K

P

D

E

E

T

K

V

V

-

D

I

L

G

G

P

P

V

L

I

I

N

N

E

E

K

R

Q

Q

A

V

K

A

G

L

L

M

E

K

T

E

L

F

I

V

N

D

K

D

G

A

I

V

K

S

E

R

G

G

A

G

V

R

P

L

L

L

L

I

K

G

G

G

K

R

I

S

E

W

G

G

N

N

V

F

H

E

P

P

T

A

I

I

L

F

T

V

D

D

V

V

T

D

P

R

A

N

M

F

C

R

V

I

A

M

Q

R

E

E

E
|
E

L

V

F

F

G

G

P

P

V

V

V

R

T

P

V

I

M

V

P

V

F

V

N

E

T

N

D

D

A

D

E

Q

A

A

I

V

S

E

M

V

A

A

N

N

D

D

T

T

T

D

F

Y

G

G

L

L

S

S

G

G

A

A

V

V

H

L

T

T

S

N

N

N

I

V

D

N

R

R

G

A

V

F

Q

R

F

I

A

A

Q

E

N

A

I

V

E

E

T

S

G

G

M

M

I

F

H

H

V

I

N

N

D

D

I

V

T

T

I

F

N

L

D

E

E

E

P

S

I

H

V

V

A

P

F

F

G

G

E

I

K

K

H

A

S

S

G

G

I

V

G

G

R

R

L
x
E

N

G

G

G

Q

E

W

W

S

S

L

F

E

H

E

E

F

T

T

T

T

Y

M

D

K

R

W

W

V

V

S

T

V

V

N

T

Y

L

K

R

Q

T

R

R

T

R

F

F

P

P

active site: N147 (= N154), K170 (= K177), E245 (= E253), C279 (= C287), E374 (= E381), E452 (≠ L459)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I143 (= I150), T144 (≠ S151), P145 (= P152), W146 (≠ F153), K170 (= K177), A172 (≠ H179), S173 (≠ E180), G203 (≠ I211), G207 (= G215), F221 (= F229), G223 (= G231), E224 (≠ S232), T227 (≠ V235)

4jz6A Crystal structure of a salicylaldehyde dehydrogenase from pseudomonas putida g7 complexed with salicylaldehyde (see paper)
34% identity, 99% coverage: 8:485/485 of query aligns to 4:484/484 of 4jz6A

query
sites
4jz6A

N

T

K

K

S

L

F

F

I

I

E

N

G

N

K

A

W

W

V

I

E

D

G

S

N

S

G

D

H

Q

R

Q

L

T

L

F

P

E

N

R

T

K

N

H

P

P

Y

V

N

S

G

S

E

E

T

V

F

M

V

T

T

E

F

S

Q

A

L

N

A

A

N

T

E

V

Q

T

D

D

V

A

D

I

R

K

A

A

Y

A

K

Q

S

A

A

A

K

E

Q

E

A

A

Q

F

G

K

E

T

W

W

M

K

K

D

V

V

N

G

P

P

Y

S

Q

E

K

R

R

R

T

R

V

L

L

L

E

L

K

K

A

V

L

A

T

D

Y

V

I

M

E

E

E

S

H

K

E

T

E

P

E

K

I

F

T

I

E

E

I

V

I

M

I

A

K

M

E

E

L

V

G

G

G

A

T

S

R

A

L

L

K
x
W

A

A

A

G

F

F

E

N

I

V

G

H

L

A

V

S

I

A

N

N

I

V

L

F

K

R

E

E

A

A

T

S

Y

L

P

A

L

T

R

Q

M

I

E

Q

G

G

R

E

I

T

L

I

P

P

S

T

P

D

V

K

D

A

G

E

K

T

E

L

N

S

R

M

L

T

Y

L

R

R

K

Q

P

P

V

V

G

G

V

P

V

I

G

L

V

S

I

I

S

V

P

P

F

W

N
|
N

F
x
G

P

T

F

A

F
x
V

L

L

S

A

M

A

K

R

S

A

V

I

A

A

P

Y

A

P

I

L

G

V

A

C

G

G

N

N

G

T

V

V

L

F

K
|
K

P

G

H

S

E

E

H

F

S

S

P

P

I

A

T

T

G

H

G

A

T

-

L

L

I

I

A

T

E

Q

I

C

F

V

D

Q

Q

E

A

A

G

G

L

L

P

P

K

A

G

G

L

V

L

L

N

N

V

Y

V

L

V

N

T

S

D

S

I

P

E

D

-

R

-

S

-

P

E

E

I

I

G

A

D

D

A

A

F

L

I

I

E

S

H

A

S

K

I

E

P

I

T

R

I

R

I

I

S

N

F

F

T

T

G

G

S

S

T

T

A

R

V

V

G

G

K

S

H

I

I

I

G

A

Q

Q

K

K

A

A

I

A

Q

Q

H

H

F

L

K

K

K
x
R

P
x
C

I

L

L

L

E
|
E

L

L

G

G

N

K

S

S

A

P

F

L

I

I

I

V

L

L

D

D

A

A

D

D

L

I

D

N

Y

A

A

A

V

V

E

K

A

A

T

V

F

F

S

G

R

S

F

F

T

L

H

F

Q

Q

G

G

Q

Q

I
|
I

C
|
C

M
|
M

S

S

A

T

N

E

R

R

I

L

L

V

V

V

H

D

S

E

S

K

L

I

Y

A

E

D

D

E

F

F

K

V

Q

A

K

R

Y

F

K

V

A

E

K

K

V

T

S

E

S

R

L

L

K

S

V

V

G

G

D

D

P

P

S

C

-

L

D

T

P

G

E

D

T

C

V

I

I

I

G

G

P

P

V

M

I

V

N

S

E

P

K

N

Q

S

A

G

K

E

G

R

L

I

E

N

T

G

L

L

I

F

N

K

K

D

G

A

I

I

K

D

E

K

G

G

A

A

V

K

P

V

L

V

L

C

K

G

G

G

K

M

I

A

E

Q

G

G

N

A

V

V

V

M

H

P

P

A

T

T

I

I

L

L

T

D

D

H

V

V

T

K

P

S

A

D

M

M

C

R

V

I

A

Y

Q

D

E

E

E
|
E

L

T

F

F

G

G

P

P

V

I

V

T

T

V

V

V

M

I

P

R

F

C

N

K

T

G

D

E

A

A

E

E

A

A

I

I

S

R

M

I

A

A

N

N

D

D

T

S

T

V

F

Y

G

G

L

L

S

S

G

S

A

G

V

V

H

F

T

G

S

R

N

D

I

I

D

N

R

R

G

A

V

L

Q

R

F

V

A

G

Q

M

N

S

I

I

E

E

T

Y

G

G

M

C

I

V

H

H

V

I

N

N

D

G

I

S

T

T

I

V

N

Q

D

N

E

E

P

A

I

Q

V

A

A

P

F
x
Y

G

G

E

T

K

K

H

N

S

T

G

G

I
x
Y

G

G

R

R

L
x
F

N

D

G

G

Q

R

W

A

S

V

L

I

E

D

E

E

F

F

T

T

T

E

M

L

K

K

W

W

V

L

S

T

V

I

N

E

Y

P

K

F

Q

E

R

Q

T

Q

F

Y

P

P

Y

F

active site: N150 (= N154), K173 (= K177), E251 (= E253), C285 (= C287), E380 (= E381), F458 (≠ L459)
binding salicylaldehyde: W97 (≠ K101), G151 (≠ F155), V154 (≠ F158), R247 (≠ K249), C248 (≠ P250), I284 (= I286), C285 (= C287), M286 (= M288), Y447 (≠ F448), Y455 (≠ I456)

8of1A Structure of aldh5f1 from moss physcomitrium patens in complex with NAD+ in the contracted conformation
35% identity, 97% coverage: 8:476/485 of query aligns to 28:497/505 of 8of1A

query
sites
8of1A

N

S

K

Q

S

G

F

L

I

I

E

G

G

D

K

K

W

W

V

V

E

D

G

A

N

E

G

N

H

G

R

H

L

T

L

L

P

P

N

V

T

N

N

N

P

P

Y

A

N

T

G

G

E

E

T

I

F

L

V

T

T

S

F

V

Q

P

L

F

A

M

N

G

E

K

Q

R

D

E

V

A

D

E

R

K

A

A

Y

I

K

A

S

A

A

A

K

S

Q

Q

A

A

Q

F

G

T

E

S

W

W

M

S

K

K

V

R

N

T

P

A

Y

N

Q

D

K

R

R

S

T

K

V

I

L

L

E

R

K

Q

A

W

L

F

T

N

Y

L

I

L

E

I

E

K

H

N

E

K

E

D

I

L

T

G

E

K

I

L

I

I

I

V

K

L

E

E

L

Q

G

G

G

K

T

P

R

L

L

A

K

E

A

A

A

V

F

G

E

E

I

I

G

V

L

Y

V

G

I

A

N

A

I

F

L

V

K

E

E

Y

A

Y

A

A

T

E

Y

E

P

A

L

K

R

R

M

V

E

Y

G

G

R

D

I

I

L

I

P

P

S

S

P

P

V

F

D

P

G

E

K

K

E

R

N

M

R

L

L

V

Y

M

R

K

K

Q

P

P

V

V

G

G

V

V

G

A

V

A

I
|
I

S
x
A

P
|
P

F
x
W

N

N

F

F

P

P

F

L

F

A

L

M

S

I

M

T

K

R

S

K

V

V

A

A

P

P

A

A

I

L

G

A

A

A

G

G

N

C

G

T

V

V

L

I

K
|
K

P

P

H

S

E

E

H

L

S

T

P

P

I

L

T

T

G

A

G

-

T

L

L

A

I

A

A

A

E

E

I

L

F

A

D

L

Q

Q

A

A

G

G

L

I

P

P

K

P

G

G

L

V

N

N

V

V

V

M

T

G

D

D

I
x
A

E

K

E

G

I

I

G

G

D

D

A

A

F

M

I

L

E

D

H

S

S

T

I

E

P

V

T

R

I

K

I

I

S

T

F
|
F

T

T

G
|
G

S
|
S

T

T

A

G

V
|
V

G

G

K

K

H
x
M

I

L

G

L

Q

A

K

G

A

A

I

G

Q

K

H

T

F

V

K

K

P

V

I

S

L

L

E

E

L
|
L

G

G

N

N

S

A

A

P

F

C

I

I

I

V

L

F

D

D

A

A

D

N

L

L

D

D

Y

V

A

A

V

V

E

K

A

G

A

V

T

L

F

A

S

G

R

K

F

Y

T

R

H

N

Q

S

G

G

Q

Q

I

T

C
|
C

M

V

S

C

A

I

N

N

R

K

I

I

L

F

V

V

H

Q

S

D

S

G

L

I

Y

Y

E

D

D

K

F

F

K

A

Q

E

K

A

Y

F

K

A

A

K

K

A

V

V

S

S

S

G

L

L

K

R

V

A

G

G

D

N

P

G

S

L

D

E

P

P

E

G

T

I

V

T

I

Q

G

G

P

P

V

L

I

I

N

N

E

E

K

T

Q

A

A

L

K

E

G
x
K

L

V

E

E

T

R

L

H

I

V

N

Q

K

D

G

A

I

V

K

S

E

K

G

G

A

A

V

K

P

V

L

L

L

V

K

G

G

G

K

K

-

R

-

H

-

S

I

L

E

G

G

R

N

T

V

F

V

Y

H

E

P

P

T

T

I

I

L

L

T

G

D

N

V

A

T

S

P

D

A

E

M

M

C

L

V

I

A

F

Q

R

E

E

E
|
E

L

V

F
|
F

G

G

P

P

V

V

V

A

T

P

V

L

M

V

P

R

F

F

N

N

T

T

D

D

A

E

E

E

A

A

I

I

S

K

M

L

A

A

N

N

D

N

T

S

T

E

F

F

G

G

L

L

S

A

G

A

A

Y

V

A

H

F

T

T

S

E

N

N

I

I

D

T

R

R

G

G

V

W

Q

R

F

V

A

A

Q

E

N

S

I

L

E

E

T

F

G

G

M

M

I

V

H

G

V

L

N

N

D

E

I

G

T

L

I

I

N

S

D

T

E

E

P

-

I

V

V

A

A

P

F

F

G

G

E

M

K

K

H

Q

S

S

G

G

I

L

G

G

R

R

L

E

N

G

G

S

Q

K

W

Y

S

G

L

L

E

D

E

E

F

Y

T

L

T

E

M

M

K

K

W

Y

V

V

S

C

V

L

binding nicotinamide-adenine-dinucleotide: I170 (= I150), A171 (≠ S151), P172 (= P152), W173 (≠ F153), K197 (= K177), A230 (≠ I211), F248 (= F229), G250 (= G231), S251 (= S232), V254 (= V235), M257 (≠ H238), L273 (= L254), C306 (= C287), K356 (≠ G337), E403 (= E381), F405 (= F383)

P25526 Succinate-semialdehyde dehydrogenase [NADP(+)] GabD; SSDH; Glutarate-semialdehyde dehydrogenase; EC 1.2.1.79; EC 1.2.1.- from Escherichia coli (strain K12) (see paper)
32% identity, 96% coverage: 9:476/485 of query aligns to 12:480/482 of P25526

query
sites
P25526

K

Q

S

A

F

L

I

I

E

N

G

G

K

E

W

W

V

L

E

D

G

A

N

N

G

N

H

G

R

E

L

A

L

I

P

D

N

V

T

T

N

N

P

P

Y

A

N

N

G

G

E

D

T

K

F

L

V

G

T

S

F

V

Q

P

L

K

A

M

N

G

E

A

Q

D

D

E

V

T

D

R

R

A

A

A

Y

I

K

D

S

A

A

A

K

N

Q

R

A

A

Q

L

G

P

E

A

W

W

M

R

K

A

V

L

N

T

P

A

Y

K

Q

E

K

R

R

A

T

T

V

I

L

L

E

R

K

N

A

W

L

F

T

N

Y

L

I

M

E

M

E

E

H

H

E

Q

E

D

I

L

T

A

E

R

I

L

I

M

I

T

K

L

E

E

L

Q

G

G

G

K

T

P

R

L

L

A

K

E

A

A

A

K

F

G

E

E

I

I

G

S

L

Y

V

A

I

A

N

S

I

F

L

I

K

E

E

W

A

F

A

A

T

E

Y

E

P

G

L

K

R

R

M

I

E

Y

G

G

R

D

I

T

L

I

P

P

S

G

P

H

V

Q

D

A

G

D

K

K

E

R

N

L

R

I

L

V

Y

I

R

K

K

Q

P

P

V

I

G

G

V

V

V

T

G

A

V

A

I

I

S

T

P

P

F
x
W

N
|
N

F

F

P

P

F

A

L

M

S

I

M

T

K

R

S

K

V

A

A

G

P

P

A

A

I

L

G

A

A

A

G

G

N

C

G

T

V

M

V

V

L

L

K
|
K

P
|
P

H
x
A

E
x
S

H

Q

S

T

P

P

I

F

T

S

G

A

G

L

T

A

L

L

I

-

A

A

E

E

I

L

F

A

D

I

Q

R

A

A

G

G

L

V

P

P

K

A

G

G

L

V

L

F

N

N

V

V

V

T

T

G

D

S

I

A

E

G

E

A

I

V

G

G

D

N

A

E

F

L

I

T

E

S

H

N

S

P

I

L

P

V

T

R

I

K

I

L

S

S

F

F

T

T

G
|
G

S
|
S

T

T

A

E

V

I

G

G

K

R

H

Q

I

L

G

M

Q

E

K

Q

A

C

I

A

Q

K

H

D

F

I

K

K

P

V

I

S

L

L

E

E

L
|
L

G

G

N

N

S

A

A

P

F

F

I

I

I

V

L

F

D

D

A

A

D

D

L

L

D

D

Y

K

A

A

V

V

E

E

A

G

A

A

T

L

F

A

S

S

R

K

F

F

T

R

H

N

Q

A

G

G

Q

Q

I

T

C

C

M

V

S

C

A

A

N

N

R

R

I

L

L

Y

V

V

H

Q

S

D

S

G

L

V

Y

Y

E

D

D

R

F

F

K

A

Q

E

K

K

Y

L

K

Q

A

Q

K

A

V

V

S

S

S

K

L

L

K

H

V

I

G

G

D

D

P

G

S

L

D

D

P

N

E

G

T

V

V

T

I

I

G

G

P

P

V

L

I

I

N

D

E

E

K

K

Q

A

A

V

K

A

G

K

L

V

E

E

T

E

L

H

I

I

N

A

K

D

G

A

I

L

K

E

E

K

G

G

A

A

V

R

P

V

L

V

L

C

K

G

G

G

K

K

I

A

E

H

-

E

-

R

-

G

G

G

N

N

V

F

H

Q

P

P

T

T

I

I

L

L

T

V

D

D

V

V

T

P

P

A

A

N

M

A

C

K

V

V

A

S

Q

K

E

E

E
|
E

L

T

F

F

G

G

P

P

V

L

V

A

T

P

V

L

M

F

P

R

F

F

N

K

T

D

D

E

A

A

E

D

A

V

I

I

S

A

M

Q

A

A

N

N

D

D

T

T

T

E

F

F

G

G

L

L

S

A

G

A

A

Y

V

F

H

Y

T

A

S

R

N

D

I

L

D

S

R

R

G

V

V

F

Q

R

F

V

A

G

Q

E

N

A

I

L

E

E

T

Y

G

G

M

I

I

V

H

G

V

I

N

N

D

T

I

G

T

I

I

I

N

S

D

N

E

E

P

-

I

V

V

A

A

P

F

F

G

G

E

I

K

K

H

A

S

S

G

G

I

L

G

G

R

R

L

E

N

G

G

S

Q

K

W

Y

S

G

L

I

E

E

E

D

F

Y

T

L

T

E

M

I

K

K

W

Y

V

M

S

C

V

I

WN 156:157 (≠ FN 153:154) binding NADP(+)
KPAS 180:183 (≠ KPHE 177:180) binding NADP(+)
GS 233:234 (= GS 231:232) binding NADP(+)
L256 (= L254) binding NADP(+)
E386 (= E381) binding NADP(+)

3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
32% identity, 96% coverage: 9:476/485 of query aligns to 11:479/481 of 3jz4A

query
sites
3jz4A

K

Q

S

A

F

L

I

I

E

N

G

G

K

E

W

W

V

L

E

D

G

A

N

N

G

N

H

G

R

E

L

A

L

I

P

D

N

V

T

T

N

N

P

P

Y

A

N

N

G

G

E

D

T

K

F

L

V

G

T

S

F

V

Q

P

L

K

A

M

N

G

E

A

Q

D

D

E

V

T

D

R

R

A

A

A

Y

I

K

D

S

A

A

A

K

N

Q

R

A

A

Q

L

G

P

E

A

W

W

M

R

K

A

V

L

N

T

P

A

Y

K

Q

E

K

R

R

A

T

T

V

I

L

L

E

R

K

N

A

W

L

F

T

N

Y

L

I

M

E

M

E

E

H

H

E

Q

E

D

I

L

T

A

E

R

I

L

I

M

I

T

K

L

E

E

L

Q

G

G

G

K

T

P

R

L

L

A

K

E

A

A

A

K

F

G

E

E

I

I

G

S

L

Y

V

A

I

A

N

S

I

F

L

I

K

E

E

W

A

F

A

A

T

E

Y

E

P

G

L

K

R

R

M

I

E

Y

G

G

R

D

I

T

L

I

P

P

S

G

P

H

V

Q

D

A

G

D

K

K

E

R

N

L

R

I

L

V

Y

I

R

K

K

Q

P

P

V

I

G

G

V

V

V

T

G

A

V

A

I

I

S

T

P
|
P

F
x
W

N
|
N

F

F

P

P

F

A

L

M

S

I

M

T

K

R

S

K

V

A

A

G

P

P

A

A

I

L

G

A

A

A

G

G

N

C

G

T

V

M

V

V

L

L

K
|
K

P

P

H
x
A

E
x
S

H

Q

S

T

P

P

I

F

T

S

G

A

G

L

T

A

L

L

I

-

A

A

E

E

I

L

F

A

D

I

Q

R

A

A

G

G

L

V

P

P

K

A

G

G

L

V

L

F

N

N

V

V

V

T

T

G

D

S

I
x
A

E

G

E

A

I

V

G
|
G

D

N

A

E

F

L

I

T

E

S

H

N

S

P

I

L

P

V

T

R

I

K

I

L

S

S

F

F

T

T

G
|
G

S
|
S

T

T

A

E

V
x
I

G

G

K

R

H

Q

I

L

G

M

Q

E

K

Q

A

C

I

A

Q

K

H

D

F

I

K

K

P

V

I

S

L

L

E
|
E

L

L

G

G

N

N

S

A

A

P

F

F

I

I

I

V

L

F

D

D

A

A

D

D

L

L

D

D

Y

K

A

A

V

V

E

E

A

G

A

A

T

L

F

A

S

S

R

K

F

F

T

R

H

N

Q

A

G

G

Q

Q

I

T

C
|
C

M

V

S

C

A

A

N

N

R

R

I

L

L

Y

V

V

H

Q

S

D

S

G

L

V

Y

Y

E

D

D

R

F

F

K

A

Q

E

K

K

Y

L

K

Q

A

Q

K

A

V

M

S

S

S

K

L

L

K

H

V

I

G

G

D

D

P

G

S

L

D

D

P

N

E

G

T

V

V

T

I

I

G

G

P

P

V

L

I

I

N

D

E

E

K

K

Q

A

A

V

K

A

G
x
K

L

V

E

E

T

E

L

H

I

I

N

A

K

D

G

A

I

L

K

E

E

K

G

G

A

A

V

R

P

V

L

V

L

C

K

G

G

G

K

K

I

A

E

H

-

E

-

R

-

G

G

G

N

N

V

F

H

Q

P

P

T

T

I

I

L

L

T

V

D

D

V

V

T

P

P

A

A

N

M

A

C

K

V

V

A

S

Q

K

E

E

E
|
E

L

T

F
|
F

G

G

P

P

V

L

V

A

T

P

V

L

M

F

P

R

F

F

N

K

T

D

D

E

A

A

E

D

A

V

I

I

S

A

M

Q

A

A

N

N

D

D

T

T

T

E

F

F

G

G

L

L

S

A

G

A

A

Y

V

F

H

Y

T

A

S

R

N

D

I

L

D

S

R

R

G

V

V

F

Q

R

F

V

A

G

Q

E

N

A

I

L

E

E

T

Y

G

G

M

I

I

V

H

G

V

I

N

N

D

T

I

G

T

I

I

I

N

S

D

N

E

E

P

-

I

V

V

A

A

P

F

F

G

G

E

I

K

K

H

A

S

S

G

G

I

L

G

G

R

R

L
x
E

N

G

G

S

Q

K

W

Y

S

G

L

I

E

E

E

D

F

Y

T

L

T

E

M

I

K

K

W

Y

V

M

S

C

V

I

active site: N156 (= N154), K179 (= K177), E254 (= E253), C288 (= C287), E385 (= E381), E462 (≠ L459)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P152), W155 (≠ F153), K179 (= K177), A181 (≠ H179), S182 (≠ E180), A212 (≠ I211), G216 (= G215), G232 (= G231), S233 (= S232), I236 (≠ V235), C288 (= C287), K338 (≠ G337), E385 (= E381), F387 (= F383)

4neaA 1.90 angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betb) from staphylococcus aureus in complex with NAD+ and bme-free cys289 (see paper)
33% identity, 98% coverage: 1:477/485 of query aligns to 10:494/505 of 4neaA

query
sites
4neaA

M

M

A

E

F

L

Y

L

K

K

K

H

L

L

N

S

-

Q

K

R

S

Q

F

Y

I

I

E

D

G

G

K

E

W

W

V

V

E

E

G

S

N

A

G

N

H

K

R

N

L

T

L

R

P

D

N

I

T

I

N

N

P

P

Y

Y

N

N

G

Q

E

E

T

V

F

I

V

F

T

T

F

V

Q

S

L

E

A

G

N

T

E

K

Q

E

D

D

V

A

D

E

R

R

A

A

Y

I

K

L

S

A

A

A

K

R

Q

R

A

A

-

F

-

E

Q

S

G

G

E

E

W

W

M

S

K

Q

V

E

N

T

P

A

Y

E

Q

T

K

R

R

G

T

K

V

K

L

V

E

R

K

A

A

I

L

A

T

D

Y

K

I

I

E

K

E

E

H

H

E

R

E

E

E

A

I

L

T

A

E

R

I

L

I

E

I

T

K

L

E

D

L

T

G

G

G

K

T

T

R

L

L

E

K

E

A

S

A

Y

F

A

E

D

I

M

G

D

L

D

V

I

I

H

N

N

I

V

L

F

K

M

E

Y

A

F

A

A

T

G

Y

L

P

A

L

D

R

K

M

D

E

G

G

G

R

E

I

M

L

I

P

D

S

S

P

P

V

I

D

P

G

D

K

T

E

E

N

S

R

K

L

I

Y

V

R

K

K

E

P

P

V

V

G

G

V

V

G

T

V

Q

I

I

S

T

P
|
P

F

W

N
|
N

F

Y

P

P

F

L

L

Q

S

A

M

S

K

W

S

K

V

I

A

A

P

P

A

A

I

L

G

A

A

T

G

G

N

C

G

S

V

L

V

V

L

M

K
|
K

P

P

H

S

E
|
E

H

I

S

T

P

P

I

L

T

T

G

T

G

-

T

I

L

R

I

V

A

F

E

E

I

L

F

M

D

E

Q

E

A

V

G

G

L

F

P

P

K

K

G

G

L

T

L

I

N

N

V

L

V

I

V

L

T

G

D

A

I
x
G

E

S

E

E

I

V

G
|
G

D

D

A

V

F

M

I

S

E

G

H

H

S

K

I

E

P

V

T

D

I

L

I

V

S

S

F

F

T

T

G
|
G

S
x
G

T

I

A

E

V
x
T

G

G

K

K

H
|
H

I
|
I

G

M

Q

K

K

N

A

A

I

A

Q

N

H

N

F

V

K

T

K

N

P

I

I

A

L

L

E
|
E

L

L

G

G

N

K

S

N

A

P

F

N

I

I

L

F

D

D

A

A

D

D

L

F

D

E

Y

L

A

A

V

V

E

D

A

Q

A

A

T

L

F

N

S

G

R

G

F

Y

T

F

H

H

Q

A

G

G

Q

Q

I

V

C
|
C

M

S

S

A

A

G

N

S

R

R

I

I

L

L

V

V

H

Q

S

N

S

S

L

I

Y

K

E

D

D

K

F

F

K

E

Q

Q

K

A

Y

L

K

I

A

D

K

R

V

V

S

K

L

I

K

K

V

L

G

G

D

N

P

G

S

F

D

D

P

A

E

D

T

T

V

E

I

M

G

G

P

P

V

V

I

I

N

S

E

T

K

E

Q

H

A

R

K

N

G

K

L

I

E

E

T

S

L

Y

I

M

N

D

K

V

G

A

I

K

K

A

E

E

G

G

A

A

V

T

P

I

L

A

L

V

K

G

G

G

K

K

I

R

-

P

-

D

-

R

-

D

-

L

-

K

E

D

G

G

N

L

V

F

H

E

P

P

T

T

I

V

L

I

T

T

D

N

V

C

T

D

P

T

A

S

M

M

C

R

V

I

A

V

Q

Q

E

E

E
|
E

L

V

F
|
F

G

G

P

P

V

V

T

T

V

V

M

E

P

G

F

F

N

E

T

T

D

E

A

Q

E

E

A

A

I

I

S

Q

M

L

A

A

N

N

D

D

T

S

T

I

F

Y

G

G

L

L

S

A

G

G

A

A

V

V

H

F

T

S

S

K

N

D

I

I

D

G

R

K

G

A

V

Q

Q

R

F

V

A

A

Q

N

N

K

I

L

E

K

T

L

G

G

M

T

I

V

H

W

V

I

N

N

D

D

I

F

T

-

I

-

N

-

D

-

E

H

P

P

I

Y

V

F

A

A

-

Q

-

A

-

P

F

W

G

G

E

Y

K

K

H

Q

S

S

G

G

I

I

G

G

R

R

L
x
E

N

L

G

G

Q

K

W

E

S

G

L

L

E

E

F

Y

T

L

T

V

M

S

K

K

W

H

V

I

S

L

V

T

N

N

active site: N166 (= N154), K189 (= K177), E264 (= E253), C298 (= C287), E399 (= E381), E476 (≠ L459)
binding nicotinamide-adenine-dinucleotide: P164 (= P152), K189 (= K177), E192 (= E180), G222 (≠ I211), G226 (= G215), G242 (= G231), G243 (≠ S232), T246 (≠ V235), H249 (= H238), I250 (= I239), C298 (= C287), E399 (= E381), F401 (= F383)

3b4wA Crystal structure of mycobacterium tuberculosis aldehyde dehydrogenase complexed with NAD+
36% identity, 97% coverage: 6:474/485 of query aligns to 4:475/483 of 3b4wA

query
sites
3b4wA

K

E

L

Y

N

D

K

K

S

L

F

F

I

I

E

G

G

G

K

K

W

W

V

T

E

K

G

P

N

S

G

T

H

S

R

D

L

V

L

I

P

E

N

V

T

R

N

C

P

P

Y

A

N

T

G

G

E

E

T

Y

F

V

-

G

-

K

V

V

T

P

F

M

Q

A

L

A

A

A

N

A

E

D

Q

V

D

D

V

A

D

A

R

V

A

A

Y

A

K

A

S

R

A

A

K

A

Q

F

A

D

Q

N

G

G

E

P

W

W

M

P

K

S

V

T

N

P

P

P

Y

H

Q

E

K

R

R

A

T

A

V

V

L

I

E

A

K

A

A

A

L

V

T

K

Y

M

I

L

E

A

E

E

H

R

E

K

E

D

E

L

I

F

T

T

E

K

I

L

I

A

K

A

E

E

L

T

G

G

G

Q

-

P

T

T

R

I

L

I

K

E

A

T

A

M

F

H

E

W

I

M

G

G

L

S

V

M

-

G

-

A

I

M

N

N

I

Y

L

F

K

A

E

G

A

A

T

D

Y

K

P

V

L

T

R

W

M

T

E

E

G

T

R

R

I

T

L

-

P

-

S

-

P

-

V

G

D

S

G

Y

K

G

E

Q

N

S

R

I

L

V

Y

S

R

R

K

E

P

P

V

V

G

G

V

V

G

G

V

A

I
|
I

S
x
V

P

A

F
x
W

N
|
N

F

V

P

P

F

L

F

F

L

L

S

A

M

V

K

N

S

K

V

I

A

A

P

P

A

A

I

L

G

L