SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013421023.1 NCBI__GCF_000166055.1:WP_013421023.1 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)
52% identity, 97% coverage: 2:332/341 of query aligns to 4:333/337 of P23247

query
sites
P23247

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

2r00C Crystal structure of aspartate semialdehyde dehydrogenase ii complexed with asa from vibrio cholerae (see paper)
52% identity, 97% coverage: 2:332/341 of query aligns to 3:332/336 of 2r00C

query
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2r00C

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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)
47% identity, 98% coverage: 4:337/341 of query aligns to 6:346/346 of Q04797

query
sites
Q04797

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H

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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, 97% coverage: 5:335/341 of query aligns to 3:333/335 of 8jusA

query
sites
8jusA

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E

G

K

G

Q

Y

Y

I

P

T

M

P

P

V

L

E

F

C

G

V

T

G

E

D

Q

F

D

A

P

T

V

Y

I

V

V

S

G

R

R

I

I

R

R

E

Q

D

D

P

L

T

A

V

N

E

P

N

N

G

G

L

L

S

V

L

F

W

W

V

C

V

V

S

S

D

D

N

Q

L

I

R

R

K

K

G

G

A

A

L

L

N

N

T

A

V

V

Q

Q

I

I

A

A

E

E

L

Y

L

L

I

I

N

A

R

K

G

G

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)
47% identity, 96% coverage: 4:331/341 of query aligns to 3:340/342 of 3tz6A

query
sites
3tz6A

N

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

M

M

M

R

N

T

I

L

L

L

D

D

E

E

R

R

E

D

F

F

P

P

V

A

K

S

E

A

V

V

F

R

A

F

I

F

A

A

S

S

R

A

R

R

S

S

V

Q

G

G

M

R

E

K

V

L

S

A

F

F

G

R

D

G

K

Q

T

E

L

I

K

E

C

V

Q

E

D

D

L

A

A

E

T

T

F

A

D

D

F

P

S

S

R

G

C

L

D

D

F

I

A

A

L

L

L

F

S

S

A

A

G

G

G

S

D

A

V

M

S

S

K

K

E

V

W

Q

A

A

P

P

K

R

I

F

A

A

K

A

T

A

G

G

C

V

V

T

V

V

I

I

D

D

N

N

S

S

A

A

W

W

R
|
R

Y

K

D

D

M

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

V

D

A

A

G
x
H

F

R

R
|
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

D

S

T

S

Y

Y

Q
|
Q

S

A

V

V

S

S

G
|
G

A

S

G

G

K

L

E

A

A

G

M

V

D

A

E

E

L

L

W

A

N

E

Q

Q

T

A

K

R

G

A

I

V

-

I

-

G

-

A

-

E

-

Q

Y

L

V

V

T

Y

D

D

A
x
G

-

G

-

A

-

L

-

E

-
x
F

P

P

T

P

P

P

E

N

V

T

F

Y

T

V

K

A

Q
x
P

I

I

A

A

F

F

N

N

V

V

I

V

P

P

H

L

I

A

D

G

V

S

F

L

L

V

D

D

G

G

F

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

V

S

A

G

T

T

C

C

V

V

R
|
R

V

V

P

P

V

V

F

F

V

T

G

G

H
|
H

S

S

E

L

A

S

V

I

N

N

I

A

E

E

F

F

E

A

N

Q

P

P

I

L

S

S

A

P

Q
x
E

E

R

A

A

R
|
R

E

E

I

L

L

L

R

D

E

G

A

A

P

T

G

G

V

V

L

Q

V

L

I

V

D

D

K

-

R

-

E

-

D

-

G

-

Y

V

I

P

T

T

P

P

V

L

E

A

C

A

V

A

G

G

D

V

F

D

A

E

T

S

Y

L

V

V

S

G

R

R

I

I

R

R

E

R

D

D

P

P

T

G

V

V

E

P

N

D

-

G

-

R

G

G

L

L

S

A

L

L

W

F

V

V

V

S

S

G

D

D

N

N

L

L

R

R

K

K

G

G

A

A

L

L

N

N

T

T

V

I

Q
|
Q

I

I

A

A

E
|
E

L
|
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 (≠ A182), F192 (vs. gap), P201 (≠ Q191), Q225 (≠ W213), R228 (≠ V216), F229 (≠ A217), Q335 (= Q326), E338 (= E329), L339 (= L330)
binding sulfate ion: R98 (= R99), H117 (≠ G118), R119 (= R120), N128 (= N129), C129 (= C130), K226 (= K214), E270 (≠ Q257), R273 (= R260)

3pylC Crystal structure of aspartate beta-semialdehide dehydrogenase from streptococcus pneumoniae with d-2,3-diaminopropionate (see paper)
43% identity, 99% coverage: 3:341/341 of query aligns to 2:350/361 of 3pylC

query
sites
3pylC

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A

A

S

S

R

A

R

R

S

S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L

T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S

S

A

A

G

G

G

S

D

S

V

T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N

N

S

T

S

S

A

Y

W

F

R

R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q

Q

S

A

V

V

S

S

G
|
G

A

A

G

G

K

M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H

H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G

G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

binding 3-amino-D-alanine: N126 (= N129), C127 (= C130), G158 (= G161), E219 (= E211), R244 (= R235)

4r51A Crystal complex structure of sp-aspartate-semialdehyde-dehydrogenase with nicotinamide adenine dinucleotide phosphate and phthalic acid (see paper)
43% identity, 99% coverage: 3:341/341 of query aligns to 2:350/360 of 4r51A

query
sites
4r51A

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R

R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S
|
S

A
|
A

G
|
G

G
x
S

D

S

V

T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

A

Y

W

F

R
|
R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q

Q

S

A

V

V

S

S

G

G

A

A

G
|
G

K
x
M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R

R

V

I

P

P

V

V

F

L

V

S

G

A

H

H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G
|
G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

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)
binding phthalic acid: S73 (≠ G74), T94 (≠ S95), S95 (= S96), R98 (= R99), N126 (= N129), K222 (= K214)

4r54A Complex crystal structure of sp-aspartate-semialdehyde-dehydrogenase with 3-carboxy-ethyl-phthalic acid (see paper)
43% identity, 99% coverage: 3:341/341 of query aligns to 2:350/357 of 4r54A

query
sites
4r54A

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S
|
S

A
|
A

G
|
G

G
x
S

D

S

V
x
T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

A

Y

W

F

R
|
R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q

Q

S

A

V

V

S

S

G

G

A

A

G
|
G

K

M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R

R

V

I

P

P

V

V

F

L

V

S

G

A

H

H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G
|
G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

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, 99% coverage: 3:341/341 of query aligns to 2:350/357 of 4r41A

query
sites
4r41A

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S
|
S

A
|
A

G
|
G

G
x
S

D

S

V

T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

A

Y

W

F

R
|
R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q

Q

S

A

V

V

S

S

G

G

A

A

G
|
G

K
x
M

E
x
G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R

R

V

I

P

P

V

V

F

L

V

S

G

A

H

H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G

G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

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 (≠ E165)

4r3nA Crystal structure of the ternary complex of sp-asadh with NADP and 1, 2,3-benzenetricarboxylic acid (see paper)
43% identity, 99% coverage: 3:341/341 of query aligns to 2:350/357 of 4r3nA

query
sites
4r3nA

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R

R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S
|
S

A
|
A

G
|
G

G
x
S

D

S

V

T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

A

Y

W

F

R
|
R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G

G

A

A

G
|
G

K
x
M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H
|
H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G
|
G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

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, 99% coverage: 3:341/341 of query aligns to 2:350/357 of 3q1lA

query
sites
3q1lA

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A

A

S

S

R

A

R

R

S

S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L

T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S

S

A

A

G

G

G

S

D

S

V

T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N

N

S

T

S

S

A

Y

W

F

R

R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G
|
G

A

A

G

G

K

M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H
|
H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G

G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

active site: C127 (= C130), Q154 (= Q157), R244 (= R235), H251 (= H242)
binding 2-amino-ethanethiol: N126 (= N129), C127 (= C130), G158 (= G161), E219 (= E211)

3pwsA Crystal structure of aspartate beta-semialdehide dehydrogenase from streptococcus pneumoniae with 2',5'-adenosine diphosphate and d-2- aminoadipate (see paper)
43% identity, 99% coverage: 3:341/341 of query aligns to 2:350/357 of 3pwsA

query
sites
3pwsA

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S

S

A
|
A

G

G

G

S

D

S

V
x
T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N

N

S

T

S

S

A

Y

W

F

R
|
R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q

Q

S

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I
|
I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H

H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G

G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

binding (2R)-2-aminohexanedioic acid: R98 (= R99), N126 (= N129), G158 (= G161), I208 (= I200), E219 (= E211), K222 (= K214), R244 (= R235)
binding adenosine-2'-5'-diphosphate: G8 (= G9), T10 (= T11), G11 (= G12), A12 (≠ N13), A35 (= A36), S36 (= S37), R38 (= R39), S39 (= S40), T56 (≠ L57), A71 (= A72), T75 (≠ V76), G160 (= G163), M161 (≠ K164)

3pwkA Crystal structure of aspartate beta-semialdehide dehydrogenase from streptococcus pneumoniae with 2',5'-adenosine diphosphate and d-2- aminoadipate (see paper)
43% identity, 99% coverage: 3:341/341 of query aligns to 2:350/357 of 3pwkA

query
sites
3pwkA

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S

S

A
|
A

G

G

G

S

D

S

V
x
T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N

N

S

T

S

S

A

Y

W

F

R
|
R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q

Q

S

A

V

V

S

S

G
|
G

A
|
A

G
|
G

K

M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H

H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G

G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

binding 5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine: G8 (= G9), T10 (= T11), G11 (= G12), A12 (≠ N13), A35 (= A36), S36 (= S37), R38 (= R39), S39 (= S40), T56 (≠ L57), A71 (= A72), T75 (≠ V76), G160 (= G163)
binding trans-cyclohexane-1,4-dicarboxylic acid: R98 (= R99), N126 (= N129), G158 (= G161), A159 (= A162), E219 (= E211), K222 (= K214), R244 (= R235)

2gz3A Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with NADP and aspartate- semialdehyde (see paper)
43% identity, 99% coverage: 3:341/341 of query aligns to 2:350/357 of 2gz3A

query
sites
2gz3A

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S
|
S

A
|
A

G
|
G

G

S

D

S

V
x
T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S

T

S

S

A

Y

W

F

R

R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H
|
H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N
|
N

L

L

R

L

K

K

G

G

A
|
A

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

active site: C127 (= C130), Q154 (= Q157), R244 (= R235), H251 (= H242)
binding (2r)-2-amino-4-oxobutanoic acid: C127 (= C130), Q154 (= Q157), G158 (= G161), E219 (= E211), 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), G158 (= G161), G160 (= G163), M161 (≠ K164), N324 (= N315), A329 (= A320)

2gz2A Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with 2',5'-adp (see paper)
43% identity, 99% coverage: 3:341/341 of query aligns to 2:350/357 of 2gz2A

query
sites
2gz2A

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S

S

A
|
A

G

G

G

S

D

S

V
x
T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N

N

S

T

S

S

A

Y

W

F

R

R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G

G

A

A

G

G

K

M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H
|
H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G

G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

active site: C127 (= C130), Q154 (= Q157), R244 (= R235), H251 (= H242)
binding adenosine-2'-5'-diphosphate: G8 (= G9), T10 (= T11), G11 (= G12), A35 (= A36), S36 (= S37), R38 (= R39), S39 (= S40), T56 (≠ L57), A71 (= A72), T75 (≠ V76)

2gz1A Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with NADP (see paper)
43% identity, 99% coverage: 3:341/341 of query aligns to 2:350/357 of 2gz1A

query
sites
2gz1A

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S
|
S

A
|
A

G
|
G

G

S

D

S

V
x
T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S

T

S

S

A

Y

W

F

R

R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S
|
S

G
|
G

A

A

G
|
G

K
x
M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H
|
H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N
|
N

L
|
L

R

L

K

K

G

G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

active site: C127 (= C130), Q154 (= Q157), 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), S157 (= S160), G158 (= G161), G160 (= G163), M161 (≠ K164), N324 (= N315), L325 (= L316)

3q11A Crystals structure of aspartate beta-semialdehyde dehydrogenase from streptococcus pneumoniae with NADP and aspartyl beta- difluorophosphonate (see paper)
43% identity, 99% coverage: 3:341/341 of query aligns to 2:350/358 of 3q11A

query
sites
3q11A

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S

S

A
|
A

G

G

G

S

D

S

V
x
T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N

N

S

T

S

S

A

Y

W

F

R
|
R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

E
x
G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H

H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G

G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

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 (≠ E165)
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, 99% coverage: 3:341/341 of query aligns to 2:350/359 of 4r5hA

query
sites
4r5hA

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S
|
S

A
|
A

G
|
G

G
x
S

D

S

V
x
T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

A

Y

W

F

R
|
R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H
|
H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G
|
G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

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, 99% coverage: 3:341/341 of query aligns to 2:350/359 of 4r4jA

query
sites
4r4jA

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S
|
S

A
|
A

G
|
G

G

S

D

S

V
x
T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N
|
N

S
x
T

S
|
S

A

Y

W

F

R
|
R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q
|
Q

S

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H
|
H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N

N

L

L

R

L

K

K

G
|
G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

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, 99% coverage: 3:341/341 of query aligns to 2:350/359 of 3pyxB

query
sites
3pyxB

Y

Y

N

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

M

M

M

I

N

K

I

M

L

L

D

E

E

E

R

S

E

T

F

L

P

P

V

I

K

D

E

K

V

I

F

R

A

Y

I

L

A
|
A

S
|
S

R

A

R
|
R

S
|
S

V

A

G

G

M

K

E

S

V

L

S

K

F

F

G

K

D

D

K

Q

T

D

L

I

K

T

C

I

Q

E

D

E

L
x
T

A

T

T

E

F

T

D

A

F

F

S

E

R

G

C

V

D

D

F

I

A

A

L

L

L

F

S
|
S

A
|
A

G
|
G

G

S

D

S

V
x
T

S

S

K

A

E

K

W

Y

A

A

P

P

K

Y

I

A

A

V

K

K

T

A

G

G

C

V

V

V

I

V

D

D

N

N

S

T

S

S

A

Y

W

F

R
|
R

Y

Q

D

N

M

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

V

L

A

D

G

A

F

H

R

-

K

-

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

D

S

T

T

Y

Y

Q

Q

S

A

V

V

S
|
S

G
|
G

A

A

G
|
G

K
x
M

E

G

A

A

M

I

D

L

E

E

L

T

W

Q

N

R

Q

E

T

L

K

R

G

E

I

V

Y

-

V

L

T

N

D

D

A

G

P

V

T

K

P

P

-

C

-

D

-

L

-

H

-

A

E

E

V

I

F

L

T

P

K

S

-

G

-

D

-

K

-

H

-

Y

Q

P

I

I

A

A

F

F

N

N

V

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

L

T

D

D

D

N

G

D

F

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

V

S

A

A

T

T

C

C

V

V

R
|
R

V

I

P

P

V

V

F

L

V

S

G

A

H

H

S

S

E

E

A

S

V

V

N

Y

I

I

E

E

F

T

E

K

N

E

P

V

I

A

S

P

A

I

Q

E

E

E

A

V

R

K

E

A

I

A

L

I

R

A

E

A

A

F

P

P

G

G

V

A

L

V

V

L

I

E

D

D

K

D

R

V

E

A

D

H

G

Q

G

I

Y

Y

I

P

T

Q

P

A

V

I

E

N

C

A

V

V

G

G

D

S

F

R

A

D

T

T

Y

F

V

V

S

G

R

R

I

I

R

R

E

K

D

D

P

L

T

D

V

A

E

E

N

K

G

G

L

I

S

H

L

M

W

W

V

V

S

S

D

D

N
|
N

L
|
L

R

L

K

K

G

G

A

A

L

W

N

N

T

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

I

H

N

E

R

R

G

G

L

L

I

V

E

R

K

P

R

T

A

A

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)

Query Sequence

>WP_013421023.1 NCBI__GCF_000166055.1:WP_013421023.1
MSYNVAVVGATGNVGREMMNILDEREFPVKEVFAIASRRSVGMEVSFGDKTLKCQDLATF
DFSRCDFALLSAGGDVSKEWAPKIAKTGCVVIDNSSAWRYDMDVPLIVPEVNADAVAGFR
KKNIIANPNCSTAQLVVALKPLHDAATIKRVVVDTYQSVSGAGKEAMDELWNQTKGIYVT
DAPTPEVFTKQIAFNVIPHIDVFLDDGFTKEEWKMVAETKKILDPKIKLVATCVRVPVFV
GHSEAVNIEFENPISAQEAREILREAPGVLVIDKREDGGYITPVECVGDFATYVSRIRED
PTVENGLSLWVVSDNLRKGAALNTVQIAELLINRGLIEKRA

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory