SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012114242.1 NCBI__GCF_000017645.1:WP_012114242.1 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)

P23247 Aspartate-semialdehyde dehydrogenase 2; ASA dehydrogenase 2; ASADH 2; Aspartate-beta-semialdehyde dehydrogenase 2; EC 1.2.1.11 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961) (see paper)
51% identity, 96% coverage: 3:332/344 of query aligns to 5:333/337 of P23247

query
sites
P23247

Y

F

K

N

V

V

A

A

V

I

V

F

G

G

A

A

T

T

G

G

N

A

V

V

G

G

R

E

E

T

I

M

L

L

S

E

I

V

L

L

A

Q

E

E

R

R

G

E

F

F

P

P

A

V

D

D

E

E

V

L

V

F

A

L

L

L

A

A

S

S

R

E

R

R

S

S

Q

E

G

G

V

K

E

T

V

Y

S

R

F

F

G

N

D

G

K

K

T

T

L

V

K

R

V

V

K

Q

A

N

L

V

E

E

T

E

Y

F

D

D

F

W

S

S

D

Q

T

V

D

H

I

I

C

A

L

L

M

F

S

S

A

A

G

G

A

E

V

L

S

S

K

A

E

K

W

W

S

A

P

P

K

I

I

A

G

A

A

E

Q

A

G

G

C

V

V

V

I

I

D

D

N

N

S

T

S

S

Q

H

W

F

R

R

M

Y

D

D

P

Y

D

D

V

I

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

P

D

E

A

A

I

I

V

A

D

E

F

F

T

R

K

N

K

R

N

N

I

I

A

A

N

N

P

P

N

N

C
|
C

S

S

T

T

A

I

Q

Q

L

M

V

L

V

V

A

A

L

L

K

K

P

P

L

I

H

Y

D

D

A

A

A

V

T

G

I

I

K

E

R

R

V

I

V

N

V

V

S

T

T

T

Y

Y

Q

Q

S

S

V

V

S

S

G

G

A

A

G

G

K

K

D

A

A

G

M

I

D

D

E

E

L

L

F

A

T

G

Q

Q

T

T

R

A

A

K

I

L

F

L

V

N

S

G

D

Y

P

P

V

A

E

E

P

T

K

N

K

T

F

F

P

S

K

Q

R

Q

I

I

A

A

F

F

N

N

L

C

I

I

P

P

Q

Q

I

I

D

D

V

Q

F

F

L

M

D

D

D

N

G

G

S

Y

T

T

K

K

E

E

W

M

K

K

M

M

V

V

A

W

E

E

T

T

K

Q

K

K

I

I

L

F

-

N

D

D

P

P

K

S

I

I

K

M

L

V

T

N

A

P

T

T

C

C

V

V

R

R

V

V

P

P

V

V

F

F

I

Y

S

G

H

H

S

A

E

E

S

A

V

V

N

H

V

V

E

E

F

T

E

R

K

A

E

P

L

I

S

D

A

A

E

E

D

Q

A

V

R

M

K

D

I

M

L

L

R

E

E

Q

A

T

P

D

G

G

I

I

L

E

V

L

I

F

D

-

T

-

R

R

E

G

P

A

G

D

G

F

Y

P

A

T

T

Q

P

V

H

R

E

D

A

A

A

G

G

G

E

K

D

D

A

H

T

V

F

L

I

V

S

G

R

R

L

V

R

R

D

N

D

D

P

I

T

S

V

H

D

H

N

S

A

G

I

I

N

N

F

L

W

W

C

V

V

V

S

A

D

D

N

N

L

V

R

R

K

K

G

G

A

A

L

T

N

N

A

A

V

V

Q

Q

I

I

A

A

E

E

V

L

L

L

V

V

C132 (= C130) active site, Acyl-thioester intermediate

2r00C Crystal structure of aspartate semialdehyde dehydrogenase ii complexed with asa from vibrio cholerae (see paper)
51% identity, 96% coverage: 3:332/344 of query aligns to 4:332/336 of 2r00C

query
sites
2r00C

Y

F

K

N

V

V

A

A

V

I

V

F

G

G

A

A

T

T

G

G

N

A

V
|
V

G

G

R

E

E

T

I

M

L

L

S

E

I

V

L

L

A

Q

E

E

R

R

G

E

F

F

P

P

A

V

D

D

E

E

V

L

V

F

A

L

L

L

A

A

S

S

R

E

R

R

S

S

Q

E

G

G

V

K

E

T

V

Y

S

R

F

F

G

N

D

G

K

K

T

T

L

V

K

R

V

V

K

Q

A

N

L

V

E

E

T

E

Y

F

D

D

F

W

S

S

D

Q

T

V

D

H

I

I

C

A

L

L

M

F

S

S

A

A

G

G

A

E

V

L

S

S

K

A

E

K

W

W

S

A

P

P

K

I

I

A

G

A

A

E

Q

A

G

G

C

V

V

V

I

I

D

D

N
|
N

S

T

S

S

Q

H

W

F

R

R

M

Y

D

D

P

Y

D

D

V

I

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

P

D

E

A

A

I

I

V

A

D

E

F

F

T

R

K

N

K

R

N

N

I

I

A

A

N

N

P

P

N

N

C
|
C

S

S

T

T

A

I

Q

Q

L

M

V

L

V

V

A

A

L

L

K

K

P

P

L

I

H

Y

D

D

A

A

A

V

T

G

I

I

K

E

R

R

V

I

V

N

V

V

S

T

T

T

Y

Y

Q
|
Q

S

S

V

V

S

S

G

G

A

A

G

G

K

K

D

A

A

G

M

I

D

D

E

E

L

L

F

A

T

G

Q

Q

T

T

R

A

A

K

I

L

F

L

V

N

S

G

D

Y

P

P

V

A

E

E

P

T

K

N

K

T

F

F

P

S

K

Q

R

Q

I

I

A

A

F

F

N

N

L

C

I

I

P

P

Q

Q

I

I

D

D

V

Q

F

F

L

M

D

D

D

N

G

G

S

Y

T

T

K

K

E

E

W

M

K

K

M

M

V

V

A

W

E

E

T

T

K

Q

K

K

I

I

L

F

-

N

D

D

P

P

K

S

I

I

K

M

L

V

T

N

A

P

T

T

C

C

V

V

R
|
R

V

V

P

P

V

V

F

F

I

Y

S

G

H
|
H

S

A

E

E

S

A

V

V

N

H

V

V

E

E

F

T

E

R

K

A

E

P

L

I

S

D

A

A

E

E

D

Q

A

V

R

M

K

D

I

M

L

L

R

E

E

Q

A

T

P

D

G

G

I

I

L

E

V

L

I

F

D

-

T

-

R

R

E

G

P

A

G

D

G

F

Y

P

A

T

T

Q

P

V

H

R

E

D

A

A

A

G

G

G

E

K

D

D

A

H

T

V

F

L

I

V

S

G

R

R

L

V

R

R

D

N

D

D

P

I

T

S

V

H

D

H

N

S

A

G

I

I

N

N

F

L

W

W

C

V

V

V

S

A

D

D

N
|
N

L

V

R

R

K

K

G

G

A

A

L

T

N

N

A

A

V

V

Q

Q

I

I

A

A

E

E

V

L

L

L

V

V

active site: C131 (= C130), Q158 (= Q157), R237 (= R235), H244 (= H242)
binding 2,2'-oxydiacetic acid: V15 (= V14), N95 (= N94), C131 (= C130), N315 (= N315)

Q04797 Aspartate-semialdehyde dehydrogenase; ASA dehydrogenase; ASADH; Aspartate-beta-semialdehyde dehydrogenase; EC 1.2.1.11 from Bacillus subtilis (strain 168) (see paper)
46% identity, 98% coverage: 2:337/344 of query aligns to 4:346/346 of Q04797

query
sites
Q04797

G

G

Y

L

K

H

V

V

A

A

V

V

G

G

A

A

T

T

G

G

N

A

V

V

G

G

R

Q

E

Q

I

M

L

L

S

K

I

T

L

L

A

E

E

D

R

R

G

N

F

F

P

E

A

M

D

D

E

T

V

L

V

T

A

L

L

L

A

S

S

S

R

K

R

R

S

S

Q

A

G

G

V

T

E

K

V

V

S

T

F

F

G

K

D

G

K

Q

T

E

L

L

K

T

V

V

K

Q

A

E

L

A

E

S

T

P

Y

E

D

S

F

F

S

E

D

G

T

V

D

N

I

I

C

A

L

L

M

F

S

S

A

A

G

G

A

S

V

V

S

S

K

Q

E

A

W

L

S

A

P

P

K

E

I

A

G

V

A

K

Q

R

G

G

C

A

V

I

V

V

I

I

D

D

N

N

S

T

S
|
S

Q

A

W

F

R

R

M

M

D

D

P

E

D

N

V

T

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

E

D

-

A

-

I

-

V

A

D

D

F

L

T

H

K

E

K

H

N

N

-

G

I

I

A

A

N

N

P

P

N

N

C

C

S

S

T

T

A

I

Q

Q

L

M

V

V

V

A

A

A

L

L

K

E

P

P

L

I

H

R

D

K

A

A

A
x
Y

T

G

I

L

K

N

R

K

V

V

V

I

V

V

S

S

T

T

Y

Y

Q

Q

S

A

V

V

S

S

G

G

A

A

G

G

K

N

D

E

A

A

M

V

D

K

E

E

L

L

F

Y

T

S

Q

Q

T

T

R

Q

A

A

I

I

F

L

V

N

S

K

D

E

P

E

V

I

E

E

P

P

K

E

K

I

F

M

P

P

-

V

-

K

-

G

-

D

-

K

-

H

K

Y

R

Q

I

I

A

A

F

F

N

N

L

A

I

I

P

P

Q

Q

I

I

D

D

V

K

F

F

L

Q

D

D

D

N

G

G

S

Y

T

T

K

F

E

E

W

M

K

K

M

M

V

I

A

N

E

E

T

T

K

K

I

I

L

M

D

H

-

M

P

P

K

D

I

L

K

Q

L

V

T

A

A

A

T

T

C

C

V

V

R

R

V

L

P

P

V

I

F

Q

I

T

S

G

H

H

S

S

E

E

S

S

V

V

N

Y

V

I

E

E

F

I

E

D

K

R

-

D

E

D

L

A

S

T

A

V

E

E

D

D

A

I

R

K

K

N

I

L

L

L

R

K

E

E

A

A

P

P

G

G

I

V

L

T

V

L

I

Q

D

D

T

D

R

P

E

S

P

Q

G

Q

G

L

Y

Y

A

P

T

M

P

P

H

A

E

D

A

A

A

V

G

G

E

K

D

N

A

D

T

V

F

F

I

V

S

G

R

R

L

I

R

R

D

K

D

D

P

L

T

D

V

R

D

A

N

N

A

G

I

F

N

H

F

L

W

W

C

V

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G

G

A

A

L

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

V

S

L

L

V

K

N

K

R

L

K

N

L

L

I

V

S98 (= S96) modified: Phosphoserine
Y146 (≠ A146) modified: Phosphotyrosine

8jusA Crystal structure of aspartate semialdehyde dehydrogenase from porphyromonas gingivalis complexed with 2',5'adenosine diphosphate
47% identity, 96% coverage: 4:334/344 of query aligns to 2:332/335 of 8jusA

query
sites
8jusA

K

K

V

I

A

A

V

I

V

V

G
|
G

A

V

T
x
S

G
|
G

N

A

V

V

G

G

R

Q

E

E

I

F

L

L

S

R

I

V

L

L

A

S

E

Q

R

R

G

D

F

F

P

P

A

I

D

D

E

G

V

L

V

Y

A

L

L

F

A
x
G

S
|
S

R

S

R
|
R

S
|
S

Q

A

G

G

V

S

E

V

V

Y

S

S

F

F

G

K

D

G

K

K

T

E

L

Y

K

V

V

V

K

R

A

E

L

L

-

K

E

D

T

N

Y

D

D

D

F

F

S

K

D

G

T

I

D

D

I

I

C

A

L

F

M

C

S
|
S

A
|
A

G

G

A

D

V
x
T

S

S

K

I

E

A

W

F

S

A

P

D

K

T

I

I

G

T

A

R

Q

H

G

G

C

T

V

L

V

M

I

I

D

D

N

N

S

S

Q

A

W

F

R

R

M

M

D

Q

P

E

D

D

V

V

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

G

D

D

-

D

A

A

I

L

V

V

D

H

F

-

T

-

K

P

K

R

N

N

I

I

A

S

N

N

P

P

N

N

C

C

S

T

T

T

A

I

Q

Q

L

M

V

V

A

A

L

L

K

K

P

P

L

I

H

E

D

D

A

L

A

S

T

H

I

I

K

R

R

R

V

V

V

H

V

V

S

A

T

T

Y

Y

Q

Q

S

A

V

A

S

S

G

G

A

A

G

G

K

A

D

L

A

G

M

M

D

A

E

E

L

L

F

V

T

Q

Q

Q

T

V

R

E

A

E

I

L

F

A

V

R

S

G

D

E

P

K

V

P

E

T

P

V

K

D

K

K

F

F

P

A

K

Y

R

Q

I

L

A

M

F

Y

N

N

L

L

I

I

P

P

Q

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

S

Y

T

T

K

K

E

E

W

M

K

K

M

M

V

Y

A

R

E

E

T

T

K

K

K

R

I

I

L

M

D

H

P

S

K

D

I

V

K

M

L

V

T

S

A

A

T

T

C

C

V

V

R

R

V

V

P

P

V

V

F

M

I

R

S

A

H

H

S

S

E

E

S

A

V

I

N

W

V

V

E

E

F

T

E

E

K

R

E

P

L

I

S

A

A

P

E

E

D

E

A

A

R

R

K

A

I

A

L

F

R

A

E

K

A

A

P

P

G

G

I

V

L

L

V

L

I

C

D

D

T

E

R

P

E

S

P

E

G

K

G

Q

Y

Y

A

P

T

M

P

P

H

L

E

F

A

G

A

T

G

E

E

Q

D

D

A

P

T

V

F

I

I

V

S

G

R

R

L

I

R

R

D

Q

D

D

P

L

T

A

V

N

D

P

N

N

A

G

I

L

N

V

F

F

W

W

C

C

V

V

S

S

D

D

N

Q

L

I

R

R

K

K

G

G

A

A

L

L

N

N

A

A

V

V

Q

Q

I

I

A

A

E

E

V

Y

L

L

V

I

N

A

R

K

binding adenosine-2'-5'-diphosphate: G7 (= G9), S9 (≠ T11), G10 (= G12), G34 (≠ A36), S35 (= S37), R37 (= R39), S38 (= S40), S70 (= S71), A71 (= A72), T75 (≠ V76)

3tz6A Crystal structure of aspartate semialdehyde dehydrogenase complexed with inhibitor smcs (cys) and phosphate from mycobacterium tuberculosis h37rv (see paper)
45% identity, 96% coverage: 2:331/344 of query aligns to 1:340/342 of 3tz6A

query
sites
3tz6A

G

G

Y

L

K

S

V

I

A

G

V

I

V

V

G

G

A

A

T

T

G

G

N

Q

V

V

G

G

R

Q

E

V

I

M

L

R

S

T

I

L

L

L

A

D

E

E

R

R

G

D

F

F

P

P

A

A

D

S

E

A

V

V

V

R

A

F

L

F

A

A

S

S

R

A

R

R

S

S

Q

Q

G

G

V

R

E

K

V

L

S

A

F

F

G

R

D

G

K

Q

T

E

L

I

K

E

V

V

K

E

A

D

L

A

E

E

T

T

Y

A

D

D

F

P

S

S

D

G

T

L

D

D

I

I

C

A

L

L

M

F

S

S

A

A

G

G

G

S

A

A

V

M

S

S

K

K

E

V

W

Q

S

A

P

P

K

R

I

F

G

A

A

A

Q

A

G

G

C

V

V

T

V

V

I

I

D

D

N

N

S

S

Q

A

W

W

R
|
R

M

K

D

D

P

P

D

D

V

V

P

P

L

L

I

V

V

V

P
x
S

E

E

V

V

N

N

A

F

D

E

A

R

I

D

V

A

D
x
H

F

R

T
x
R

K

P

K

K

N

G

I

I

A

A

N

N

P

P

N
|
N

C
|
C

S

T

T

T

A

M

Q

A

L

A

V

M

V

P

A

V

L

L

K

K

P

V

L

L

H

H

D

D

A

E

A

A

T

R

I

L

K

V

R

R

V

L

V

V

S

S

T

S

Y

Y

Q
|
Q

S

A

V

V

S

S

G
|
G

A

S

G

G

K

L

D

A

A

G

M

V

D

A

E

E

L

L

F

A

T

E

Q

Q

T

A

R

R

A

A

-

V

-

I

-

G

-

A

-

E

-

Q

-

L

I

V

F

Y

V

D

S
x
G

D

G

P

A

V

L

E

E

-
x
F

-

P

P

P

K

N

K

T

F

Y

P

V

K

A

R
x
P

I

I

A

A

F

F

N

N

L

V

I

V

P

P

Q

L

I

A

D

G

V

S

F

L

L

V

D

D

G

G

S

S

-

G

-

E

T

T

K

D

E
|
E

E

D

W
x
Q

K
|
K

M

L

V
x
R

A
x
F

E

E

T

S

K

R

K

K

I

I

L

L

D

G

-

I

P

P

K

D

I

L

K

L

L

V

T

S

A

G

T

T

C

C

V

V

R
|
R

V

V

P

P

V

V

F

F

I

T

S

G

H
|
H

S

S

E

L

S

S

V

I

N

N

V

A

E

E

F

F

E

A

K

Q

E

P

L

L

S

S

A

P

E
|
E

D

R

A

A

R
|
R

K

E

I

L

L

L

R

D

E

G

A

A

P

T

G

G

I

V

L

Q

V

L

I

V

D

D

T

V

R

-

E

-

P

-

G

-

Y

-

A

P

T

T

P

P

H

L

E

A

A

A

G

G

E

V

D

D

A

E

T

S

F

L

I

V

S

G

R

R

L

I

R

R

D

R

D

D

P

P

T

G

V

V

D

P

N

D

-

G

-

R

A

G

I

L

N

A

F

L

W

F

C

V

V

S

S

G

D

D

N

N

L

L

R

R

K

K

G

G

A

A

L

L

N

N

A

T

V

I

Q
|
Q

I

I

A

A

E
|
E

V
x
L

L

L

active site: C129 (= C130), Q156 (= Q157), R248 (= R235), H255 (= H242)
binding cysteine: C129 (= C130), Q156 (= Q157), G160 (= G161), E223 (= E211), R248 (= R235), H255 (= H242)
binding glycerol: S108 (≠ P109), G187 (≠ S180), F192 (vs. gap), P201 (≠ R191), Q225 (≠ W213), R228 (≠ V216), F229 (≠ A217), Q335 (= Q326), E338 (= E329), L339 (≠ V330)
binding sulfate ion: R98 (= R99), H117 (≠ D118), R119 (≠ T120), N128 (= N129), C129 (= C130), K226 (= K214), E270 (= E257), R273 (= R260)

3q11A Crystals structure of aspartate beta-semialdehyde dehydrogenase from streptococcus pneumoniae with NADP and aspartyl beta- difluorophosphonate (see paper)
43% identity, 98% coverage: 2:337/344 of query aligns to 1:346/358 of 3q11A

query
sites
3q11A

G

G

Y

Y

K

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

N

A

V

V

G

G

R

A

E

Q

I

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

D

D

E

K

V

I

V

R

A

Y

L

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

Q

A

G

G

V

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

V

I

K

E

A

E

L
x
T

E

T

T

E

Y

T

D

A

F

F

S

E

D

G

T

V

D

D

I

I

C

A

L

L

M

F

S

S

A
|
A

G

G

G

S

A

S

V
x
T

S

S

K

A

E

K

W

Y

S

A

P

P

K

Y

I

A

G

V

A

K

Q

A

G

G

C

V

V

V

I

V

D

D

N

N

S

T

S

S

Q

Y

W

F

R
|
R

M

Q

D

N

P

P

D

D

V

V

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

A

D

H

A

A

I

L

V

-

D

-

F

D

T

A

K

H

K

N

N

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

A

I

Q

Q

L

M

V

M

V

V

A

A

L

L

K

E

P

P

L

V

H

R

D

Q

A

K

A

W

T

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

D
x
G

A

A

M

I

D

L

E

E

L

T

F

Q

T

R

Q

E

T

L

R

R

A

E

I

V

F

L

V

-

S

N

D

D

P

G

V

V

E

K

P

P

-

C

-

D

-

L

-

H

-

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

K

K

K

H

F

Y

P

P

K

-

R

-

I

I

A

A

F

F

N

N

L

A

I

L

P

P

Q

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

S

Y

T

T

K

Y

E
|
E

E

E

W

M

K
|
K

M

M

V

T

A

K

E

E

T

T

K

K

I

I

L

M

-

E

D

D

P

D

K

S

I

I

K

A

L

V

T

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

I

S

S

A

H

H

S

S

E

E

S

S

V

V

N

Y

V

I

E

E

F

T

E

K

K

E

E

V

L

A

S

P

A

I

E

E

D

E

A

V

R

K

K

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

I

A

L

V

V

L

I

E

D

D

T

D

R

V

E

A

P

H

G

Q

G

I

Y

Y

A

P

T

Q

P

A

H

I

E

N

A

A

A

V

G

G

E

S

D

R

A

D

T

T

F

F

I

V

S

G

R

R

L

I

R

R

D

K

D

D

P

L

T

D

V

A

D

E

N

K

A

G

I

I

N

H

F

M

W

W

C

V

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G

G

A

A

L

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

V

T

L

L

V

H

N

E

R

R

K

G

L

L

I

V

binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), T10 (= T11), G11 (= G12), A35 (= A36), S36 (= S37), R38 (= R39), S39 (= S40), T56 (≠ L57), A71 (= A72), T75 (≠ V76), G160 (= G163), M161 (≠ K164), G162 (≠ D165)
binding 5,5-difluoro-4-oxo-5-phosphono-D-norvaline: R98 (= R99), N126 (= N129), C127 (= C130), Q154 (= Q157), G158 (= G161), E219 (= E211), K222 (= K214), R244 (= R235)

4r5hA Crystal structure of sp-aspartate-semialdehyde-dehydrogenase with nicotinamide-adenine-dinucleotide-phosphate and 3-carboxy-propenyl- phthalic acid (see paper)
43% identity, 98% coverage: 2:337/344 of query aligns to 1:346/359 of 4r5hA

query
sites
4r5hA

G

G

Y

Y

K

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

N
x
A

V
|
V

G

G

R

A

E

Q

I

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

D

D

E

K

V

I

V

R

A

Y

L

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

Q

A

G

G

V

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

V

I

K

E

A

E

L
x
T

E

T

T

E

Y

T

D

A

F

F

S

E

D

G

T

V

D

D

I

I

C

A

L

L

M

F

S
|
S

A
|
A

G
|
G

G
x
S

A

S

V
x
T

S

S

K

A

E

K

W

Y

S

A

P

P

K

Y

I

A

G

V

A

K

Q

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

Q

Y

W

F

R
|
R

M

Q

D

N

P

P

D

D

V

V

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

A

D

H

A

A

I

L

V

-

D

-

F

D

T

A

K

H

K

N

N

G

I

I

A

A

N

C

P
|
P

N
|
N

C
|
C

S

S

T

T

A

I

Q

Q

L

M

V

M

V

V

A

A

L

L

K

E

P

P

L

V

H

R

D

Q

A

K

A

W

T

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

D

G

A

A

M

I

D

L

E

E

L

T

F

Q

T

R

Q

E

T

L

R

R

A

E

I

V

F

L

V

-

S

N

D

D

P

G

V

V

E

K

P

P

-

C

-

D

-

L

-

H

-

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

K

K

K

H

F

Y

P

P

K

-

R

-

I

I

A

A

F

F

N

N

L

A

I

L

P

P

Q

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

S

Y

T

T

K

Y

E

E

W

M

K
|
K

M

M

V

T

A

K

E

E

T

T

K

K

I

I

L

M

-

E

D

D

P

D

K

S

I

I

K

A

L

V

T

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

I

S

S

A

H
|
H

S

S

E

E

S

S

V

V

N

Y

V

I

E

E

F

T

E

K

K

E

E

V

L

A

S

P

A

I

E

E

D

E

A

V

R

K

K

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

I

A

L

V

V

L

I

E

D

D

T

D

R

V

E

A

P

H

G

Q

G

I

Y

Y

A

P

T

Q

P

A

H

I

E

N

A

A

A

V

G

G

E

S

D

R

A

D

T

T

F

F

I

V

S

G

R

R

L

I

R

R

D

K

D

D

P

L

T

D

V

A

D

E

N

K

A

G

I

I

N

H

F

M

W

W

C

V

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G
|
G

A

A

L

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

V

T

L

L

V

H

N

E

R

R

K

G

L

L

I

V

binding 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid: S73 (≠ G74), T94 (≠ S95), S95 (= S96), R98 (= R99), N126 (= N129), C127 (= C130), Q154 (= Q157), G158 (= G161), K222 (= K214), R244 (= R235), H251 (= H242)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), T10 (= T11), G11 (= G12), A12 (≠ N13), V13 (= V14), A35 (= A36), S36 (= S37), R38 (= R39), S39 (= S40), T56 (≠ L57), S70 (= S71), A71 (= A72), G72 (= G73), T75 (≠ V76), N93 (= N94), T94 (≠ S95), P125 (= P128), N126 (= N129), C127 (= C130), G160 (= G163), M161 (≠ K164), G328 (= G319)

4r4jA Crystal structure of complex sp_asadh with 3-carboxypropyl-phthalic acid and nicotinamide adenine dinucleotide phosphate (see paper)
43% identity, 98% coverage: 2:337/344 of query aligns to 1:346/359 of 4r4jA

query
sites
4r4jA

G

G

Y

Y

K

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

N
x
A

V
|
V

G

G

R

A

E

Q

I

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

D

D

E

K

V

I

V

R

A

Y

L

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

Q

A

G

G

V

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

V

I

K

E

A

E

L
x
T

E

T

T

E

Y

T

D

A

F

F

S

E

D

G

T

V

D

D

I

I

C

A

L

L

M

F

S
|
S

A
|
A

G
|
G

G

S

A

S

V
x
T

S

S

K

A

E

K

W

Y

S

A

P

P

K

Y

I

A

G

V

A

K

Q

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

Q

Y

W

F

R
|
R

M

Q

D

N

P

P

D

D

V

V

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

A

D

H

A

A

I

L

V

-

D

-

F

D

T

A

K

H

K

N

N

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

A

I

Q

Q

L

M

V

M

V

V

A

A

L

L

K

E

P

P

L

V

H

R

D

Q

A

K

A

W

T

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

D

G

A

A

M

I

D

L

E

E

L

T

F

Q

T

R

Q

E

T

L

R

R

A

E

I

V

F

L

V

-

S

N

D

D

P

G

V

V

E

K

P

P

-

C

-

D

-

L

-

H

-

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

K

K

K

H

F

Y

P

P

K

-

R

-

I

I

A

A

F

F

N

N

L

A

I

L

P

P

Q

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

S

Y

T

T

K

Y

E
|
E

E

E

W

M

K
|
K

M

M

V

T

A

K

E

E

T

T

K

K

I

I

L

M

-

E

D

D

P

D

K

S

I

I

K

A

L

V

T

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

I

S

S

A

H
|
H

S

S

E

E

S

S

V

V

N

Y

V

I

E

E

F

T

E

K

K

E

E

V

L

A

S

P

A

I

E

E

D

E

A

V

R

K

K

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

I

A

L

V

V

L

I

E

D

D

T

D

R

V

E

A

P

H

G

Q

G

I

Y

Y

A

P

T

Q

P

A

H

I

E

N

A

A

A

V

G

G

E

S

D

R

A

D

T

T

F

F

I

V

S

G

R

R

L

I

R

R

D

K

D

D

P

L

T

D

V

A

D

E

N

K

A

G

I

I

N

H

F

M

W

W

C

V

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G
|
G

A

A

L

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

V

T

L

L

V

H

N

E

R

R

K

G

L

L

I

V

binding 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid: T94 (≠ S95), S95 (= S96), R98 (= R99), N126 (= N129), C127 (= C130), Q154 (= Q157), G158 (= G161), E219 (= E211), K222 (= K214), R244 (= R235), H251 (= H242)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), T10 (= T11), G11 (= G12), A12 (≠ N13), V13 (= V14), A35 (= A36), S36 (= S37), R38 (= R39), S39 (= S40), T56 (≠ L57), S70 (= S71), A71 (= A72), G72 (= G73), T75 (≠ V76), N93 (= N94), T94 (≠ S95), N126 (= N129), C127 (= C130), G160 (= G163), M161 (≠ K164), G328 (= G319)

3pyxB Crystals structure of aspartate beta-semialdehyde dehydrogenase complex with NADP and 2-aminoterephthalate (see paper)
43% identity, 98% coverage: 2:337/344 of query aligns to 1:346/359 of 3pyxB

query
sites
3pyxB

G

G

Y

Y

K

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

N
x
A

V
|
V

G

G

R

A

E

Q

I

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

D

D

E

K

V

I

V

R

A

Y

L

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

Q

A

G

G

V

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

V

I

K

E

A

E

L
x
T

E

T

T

E

Y

T

D

A

F

F

S

E

D

G

T

V

D

D

I

I

C

A

L

L

M

F

S
|
S

A
|
A

G
|
G

G

S

A

S

V
x
T

S

S

K

A

E

K

W

Y

S

A

P

P

K

Y

I

A

G

V

A

K

Q

A

G

G

C

V

V

V

I

V

D

D

N

N

S

T

S

S

Q

Y

W

F

R
|
R

M

Q

D

N

P

P

D

D

V

V

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

A

D

H

A

A

I

L

V

-

D

-

F

D

T

A

K

H

K

N

N

G

I

I

A

A

N

C

P

P

N

N

C
|
C

S

S

T

T

A

I

Q

Q

L

M

V

M

V

V

A

A

L

L

K

E

P

P

L

V

H

R

D

Q

A

K

A

W

T

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q

Q

S

A

V

V

S
|
S

G
|
G

A

A

G
|
G

K
x
M

D

G

A

A

M

I

D

L

E

E

L

T

F

Q

T

R

Q

E

T

L

R

R

A

E

I

V

F

L

V

-

S

N

D

D

P

G

V

V

E

K

P

P

-

C

-

D

-

L

-

H

-

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

K

K

K

H

F

Y

P

P

K

-

R

-

I

I

A

A

F

F

N

N

L

A

I

L

P

P

Q

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

S

Y

T

T

K

Y

E
|
E

E

E

W

M

K
|
K

M

M

V

T

A

K

E

E

T

T

K

K

I

I

L

M

-

E

D

D

P

D

K

S

I

I

K

A

L

V

T

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

I

S

S

A

H

H

S

S

E

E

S

S

V

V

N

Y

V

I

E

E

F

T

E

K

K

E

E

V

L

A

S

P

A

I

E

E

D

E

A

V

R

K

K

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

I

A

L

V

V

L

I

E

D

D

T

D

R

V

E

A

P

H

G

Q

G

I

Y

Y

A

P

T

Q

P

A

H

I

E

N

A

A

A

V

G

G

E

S

D

R

A

D

T

T

F

F

I

V

S

G

R

R

L

I

R

R

D

K

D

D

P

L

T

D

V

A

D

E

N

K

A

G

I

I

N

H

F

M

W

W

C

V

V

V

S

S

D

D

N
|
N

L
|
L

R

L

K

K

G

G

A

A

L

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

V

T

L

L

V

H

N

E

R

R

K

G

L

L

I

V

binding 2-aminobenzene-1,4-dicarboxylic acid: R98 (= R99), G158 (= G161), E219 (= E211), K222 (= K214), R244 (= R235)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), T10 (= T11), G11 (= G12), A12 (≠ N13), V13 (= V14), A35 (= A36), S36 (= S37), R38 (= R39), S39 (= S40), T56 (≠ L57), S70 (= S71), A71 (= A72), G72 (= G73), T75 (≠ V76), C127 (= C130), S157 (= S160), G158 (= G161), G160 (= G163), M161 (≠ K164), N324 (= N315), L325 (= L316)

4r54A Complex crystal structure of sp-aspartate-semialdehyde-dehydrogenase with 3-carboxy-ethyl-phthalic acid (see paper)
43% identity, 98% coverage: 2:337/344 of query aligns to 1:346/357 of 4r54A

query
sites
4r54A

G

G

Y

Y

K

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

N
x
A

V
|
V

G

G

R

A

E

Q

I

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

D

D

E

K

V

I

V

R

A

Y

L

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

Q

A

G

G

V

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

V

I

K

E

A

E

L
x
T

E

T

T

E

Y

T

D

A

F

F

S

E

D

G

T

V

D

D

I

I

C

A

L

L

M

F

S
|
S

A
|
A

G
|
G

G
x
S

A

S

V
x
T

S

S

K

A

E

K

W

Y

S

A

P

P

K

Y

I

A

G

V

A

K

Q

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

Q

Y

W

F

R
|
R

M

Q

D

N

P

P

D

D

V

V

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

A

D

H

A

A

I

L

V

-

D

-

F

D

T

A

K

H

K

N

N

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

A

I

Q

Q

L

M

V

M

V

V

A

A

L

L

K

E

P

P

L

V

H

R

D

Q

A

K

A

W

T

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q

Q

S

A

V

V

S

S

G

G

A

A

G
|
G

K

M

D

G

A

A

M

I

D

L

E

E

L

T

F

Q

T

R

Q

E

T

L

R

R

A

E

I

V

F

L

V

-

S

N

D

D

P

G

V

V

E

K

P

P

-

C

-

D

-

L

-

H

-

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

K

K

K

H

F

Y

P

P

K

-

R

-

I

I

A

A

F

F

N

N

L

A

I

L

P

P

Q

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

S

Y

T

T

K

Y

E

E

W

M

K
|
K

M

M

V

T

A

K

E

E

T

T

K

K

I

I

L

M

-

E

D

D

P

D

K

S

I

I

K

A

L

V

T

S

A

A

T

T

C

C

V

V

R

R

V

I

P

P

V

V

F

L

I

S

S

A

H

H

S

S

E

E

S

S

V

V

N

Y

V

I

E

E

F

T

E

K

K

E

E

V

L

A

S

P

A

I

E

E

D

E

A

V

R

K

K

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

I

A

L

V

V

L

I

E

D

D

T

D

R

V

E

A

P

H

G

Q

G

I

Y

Y

A

P

T

Q

P

A

H

I

E

N

A

A

A

V

G

G

E

S

D

R

A

D

T

T

F

F

I

V

S

G

R

R

L

I

R

R

D

K

D

D

P

L

T

D

V

A

D

E

N

K

A

G

I

I

N

H

F

M

W

W

C

V

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G
|
G

A

A

L

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

V

T

L

L

V

H

N

E

R

R

K

G

L

L

I

V

binding 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid: G72 (= G73), S73 (≠ G74), T94 (≠ S95), S95 (= S96), R98 (= R99), K222 (= K214)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), T10 (= T11), G11 (= G12), A12 (≠ N13), V13 (= V14), A35 (= A36), S36 (= S37), R38 (= R39), S39 (= S40), T56 (≠ L57), S70 (= S71), A71 (= A72), G72 (= G73), T75 (≠ V76), N93 (= N94), T94 (≠ S95), N126 (= N129), C127 (= C130), G160 (= G163), G328 (= G319)

4r41A Complex crystal structure of 4-nitro-2-phosphono-benzoic acid with sp- aspartate-semialdehyde dehydrogenase and nicotinamide-dinucleotide (see paper)
43% identity, 98% coverage: 2:337/344 of query aligns to 1:346/357 of 4r41A

query
sites
4r41A

G

G

Y

Y

K

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

N
x
A

V

V

G

G

R

A

E

Q

I

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

D

D

E

K

V

I

V

R

A

Y

L

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

Q

A

G

G

V

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

V

I

K

E

A

E

L
x
T

E

T

T

E

Y

T

D

A

F

F

S

E

D

G

T

V

D

D

I

I

C

A

L

L

M

F

S
|
S

A
|
A

G
|
G

G
x
S

A

S

V

T

S

S

K

A

E

K

W

Y

S

A

P

P

K

Y

I

A

G

V

A

K

Q

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

Q

Y

W

F

R
|
R

M

Q

D

N

P

P

D

D

V

V

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

A

D

H

A

A

I

L

V

-

D

-

F

D

T

A

K

H

K

N

N

G

I

I

A

A

N

C

P

P

N

N

C

C

S

S

T

T

A

I

Q

Q

L

M

V

M

V

V

A

A

L

L

K

E

P

P

L

V

H

R

D

Q

A

K

A

W

T

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q

Q

S

A

V

V

S

S

G

G

A

A

G
|
G

K
x
M

D
x
G

A

A

M

I

D

L

E

E

L

T

F

Q

T

R

Q

E

T

L

R

R

A

E

I

V

F

L

V

-

S

N

D

D

P

G

V

V

E

K

P

P

-

C

-

D

-

L

-

H

-

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

K

K

K

H

F

Y

P

P

K

-

R

-

I

I

A

A

F

F

N

N

L

A

I

L

P

P

Q

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

S

Y

T

T

K

Y

E

E

W

M

K
|
K

M

M

V

T

A

K

E

E

T

T

K

K

I

I

L

M

-

E

D

D

P

D

K

S

I

I

K

A

L

V

T

S

A

A

T

T

C

C

V

V

R

R

V

I

P

P

V

V

F

L

I

S

S

A

H

H

S

S

E

E

S

S

V

V

N

Y

V

I

E

E

F

T

E

K

K

E

E

V

L

A

S

P

A

I

E

E

D

E

A

V

R

K

K

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

I

A

L

V

V

L

I

E

D

D

T

D

R

V

E

A

P

H

G

Q

G

I

Y

Y

A

P

T

Q

P

A

H

I

E

N

A

A

A

V

G

G

E

S

D

R

A

D

T

T

F

F

I

V

S

G

R

R

L

I

R

R

D

K

D

D

P

L

T

D

V

A

D

E

N

K

A

G

I

I

N

H

F

M

W

W

C

V

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G

G

A

A

L

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

V

T

L

L

V

H

N

E

R

R

K

G

L

L

I

V

binding 4-nitro-2-phosphonobenzoic acid: S70 (= S71), G72 (= G73), S73 (≠ G74), N93 (= N94), T94 (≠ S95), S95 (= S96), R98 (= R99), K222 (= K214)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), T10 (= T11), G11 (= G12), A12 (≠ N13), A35 (= A36), S36 (= S37), R38 (= R39), S39 (= S40), T56 (≠ L57), A71 (= A72), G160 (= G163), M161 (≠ K164), G162 (≠ D165)

4r3nA Crystal structure of the ternary complex of sp-asadh with NADP and 1, 2,3-benzenetricarboxylic acid (see paper)
43% identity, 98% coverage: 2:337/344 of query aligns to 1:346/357 of 4r3nA

query
sites
4r3nA

G

G

Y

Y

K

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

N
x
A

V
|
V

G

G

R

A

E

Q

I

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

D

D

E

K

V

I

V

R

A

Y

L

L

A
|
A

S
|
S

R

A

R

R

S
|
S

Q

A

G

G

V

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

V

I

K

E

A

E

L
x
T

E

T

T

E

Y

T

D

A

F

F

S

E

D

G

T

V

D

D

I

I

C

A

L

L

M

F

S
|
S

A
|
A

G
|
G

G
x
S

A

S

V

T

S

S

K

A

E

K

W

Y

S

A

P

P

K

Y

I

A

G

V

A

K

Q

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

Q

Y

W

F

R
|
R

M

Q

D

N

P

P

D

D

V

V

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

A

D

H

A

A

I

L

V

-

D

-

F

D

T

A

K

H

K

N

N

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

A

I

Q

Q

L

M

V

M

V

V

A

A

L

L

K

E

P

P

L

V

H

R

D

Q

A

K

A

W

T

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G

G

A

A

G
|
G

K
x
M

D

G

A

A

M

I

D

L

E

E

L

T

F

Q

T

R

Q

E

T

L

R

R

A

E

I

V

F

L

V

-

S

N

D

D

P

G

V

V

E

K

P

P

-

C

-

D

-

L

-

H

-

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

K

K

K

H

F

Y

P

P

K

-

R

-

I

I

A

A

F

F

N

N

L

A

I

L

P

P

Q

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

S

Y

T

T

K

Y

E

E

W

M

K
|
K

M

M

V

T

A

K

E

E

T

T

K

K

I

I

L

M

-

E

D

D

P

D

K

S

I

I

K

A

L

V

T

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

I

S

S

A

H
|
H

S

S

E

E

S

S

V

V

N

Y

V

I

E

E

F

T

E

K

K

E

E

V

L

A

S

P

A

I

E

E

D

E

A

V

R

K

K

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

I

A

L

V

V

L

I

E

D

D

T

D

R

V

E

A

P

H

G

Q

G

I

Y

Y

A

P

T

Q

P

A

H

I

E

N

A

A

A

V

G

G

E

S

D

R

A

D

T

T

F

F

I

V

S

G

R

R

L

I

R

R

D

K

D

D

P

L

T

D

V

A

D

E

N

K

A

G

I

I

N

H

F

M

W

W

C

V

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G
|
G

A

A

L

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

V

T

L

L

V

H

N

E

R

R

K

G

L

L

I

V

active site: C127 (= C130), Q154 (= Q157), R244 (= R235), H251 (= H242)
binding benzene-1,2,3-tricarboxylic acid: S73 (≠ G74), T94 (≠ S95), S95 (= S96), R98 (= R99), N126 (= N129), K222 (= K214)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G9), T10 (= T11), G11 (= G12), A12 (≠ N13), V13 (= V14), A35 (= A36), S36 (= S37), S39 (= S40), T56 (≠ L57), S70 (= S71), A71 (= A72), G72 (= G73), N93 (= N94), T94 (≠ S95), N126 (= N129), C127 (= C130), G160 (= G163), M161 (≠ K164), G328 (= G319)

3q1lA Crystals structure of aspartate beta-semialdehyde dehydrogenase from streptococcus pneumoniae with cysteamine bound covalently to cys 128 (see paper)
43% identity, 98% coverage: 2:337/344 of query aligns to 1:346/357 of 3q1lA

query
sites
3q1lA

G

G

Y

Y

K

T

V

V

A

A

V

V

G

G

A

A

T

T

G

G

N

A

V

V

G

G

R

A

E

Q

I

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

D

D

E

K

V

I

V

R

A

Y

L

L

A

A

S

S

R

A

R

R

S

S

Q

A

G

G

V

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

V

I

K

E

A

E

L

T

E

T

T

E

Y

T

D

A

F

F

S

E

D

G

T

V

D

D

I

I

C

A

L

L

M

F

S

S

A

A

G

G

G

S

A

S

V

T

S

S

K

A

E

K

W

Y

S

A

P

P

K

Y

I

A

G

V

A

K

Q

A

G

G

C

V

V

V

I

V

D

D

N

N

S

T

S

S

Q

Y

W

F

R

R

M

Q

D

N

P

P

D

D

V

V

P

P

L

L

I

V

V

V

P

P

E

E

V

V

N

N

A

A

D

H

A

A

I

L

V

-

D

-

F

D

T

A

K

H

K

N

N

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

A

I

Q

Q

L

M

V

M

V

V

A

A

L

L

K

E

P

P

L

V

H

R

D

Q

A

K

A

W

T

G

I

L

K

D

R

R

V

I

V

V

S
<