SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013841939.1 NCBI__GCF_000215085.1:WP_013841939.1 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)

Q04797 Aspartate-semialdehyde dehydrogenase; ASA dehydrogenase; ASADH; Aspartate-beta-semialdehyde dehydrogenase; EC 1.2.1.11 from Bacillus subtilis (strain 168) (see paper)
51% identity, 99% coverage: 2:336/340 of query aligns to 3:346/346 of Q04797

query
sites
Q04797

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S98 (= S96) modified: Phosphoserine
Y146 (≠ A144) modified: Phosphotyrosine

8jusA Crystal structure of aspartate semialdehyde dehydrogenase from porphyromonas gingivalis complexed with 2',5'adenosine diphosphate
52% identity, 96% coverage: 4:331/340 of query aligns to 1:330/335 of 8jusA

query
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8jusA

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binding adenosine-2'-5'-diphosphate: G7 (= G10), S9 (= S12), G10 (= G13), G34 (≠ A37), S35 (≠ T38), R37 (= R40), S38 (= S41), S70 (vs. gap), A71 (= A72), T75 (≠ A76)

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)
49% identity, 97% coverage: 2:332/340 of query aligns to 3:334/337 of P23247

query
sites
P23247

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C132 (= C128) active site, Acyl-thioester intermediate

2r00C Crystal structure of aspartate semialdehyde dehydrogenase ii complexed with asa from vibrio cholerae (see paper)
49% identity, 97% coverage: 2:332/340 of query aligns to 2:333/336 of 2r00C

query
sites
2r00C

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L

V

F

Q

R

N

G

K

A

N

D

Y

F

P

P

M

T

P

Q

L

V

F

R

T

D

S

A

-

G

G

G

R

K

D

D

E

H

V

V

F

L

V

V

G

G

R

R

I

V

R

R

E

N

D

D

N

I

T

S

I

H

E

H

K

S

G

G

L

I

N

N

L

L

W

W

V

V

G

A

D

D

Q
x
N

I

V

R

R

K

K

G

G

A

A

T

T

N

N

A

A

V

V

Q

Q

I

I

A

A

E

E

L

L

L

V

Q

R

active site: C131 (= C128), Q158 (= Q155), R237 (= R234), H244 (= H241)
binding 2,2'-oxydiacetic acid: V15 (= V15), N95 (= N94), C131 (= C128), N315 (≠ Q314)

4r54A Complex crystal structure of sp-aspartate-semialdehyde-dehydrogenase with 3-carboxy-ethyl-phthalic acid (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/357 of 4r54A

query
sites
4r54A

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V
|
V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-
x
S

A
|
A

G
|
G

G
x
S

K

S

A
x
T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N
|
N

S
x
T

S
|
S

N

Y

F

F

R
|
R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G

G

A

A

G
|
G

K

M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E

E

W

M

K
|
K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R

R

V

I

P

P

V

V

Y

L

R

S

S

A

H

H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G
|
G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding 3-(2-carboxyethyl)benzene-1,2-dicarboxylic acid: G72 (= G73), S73 (≠ G74), T94 (≠ S95), S95 (= S96), R98 (= R99), K222 (= K212)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), V13 (= V15), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), S70 (vs. gap), A71 (= A72), G72 (= G73), T75 (≠ A76), N93 (= N94), T94 (≠ S95), N126 (= N127), C127 (= C128), G160 (= G161), G328 (= G318)

4r41A Complex crystal structure of 4-nitro-2-phosphono-benzoic acid with sp- aspartate-semialdehyde dehydrogenase and nicotinamide-dinucleotide (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/357 of 4r41A

query
sites
4r41A

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V

V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-
x
S

A
|
A

G
|
G

G
x
S

K

S

A

T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N
|
N

S
x
T

S
|
S

N

Y

F

F

R
|
R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N

N

C

C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G

G

A

A

G
|
G

K
x
M

E
x
G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E

E

W

M

K
|
K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R

R

V

I

P

P

V

V

Y

L

R

S

S

A

H

H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G

G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding 4-nitro-2-phosphonobenzoic acid: S70 (vs. gap), G72 (= G73), S73 (≠ G74), N93 (= N94), T94 (≠ S95), S95 (= S96), R98 (= R99), K222 (= K212)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), A71 (= A72), G160 (= G161), M161 (≠ K162), G162 (≠ E163)

4r3nA Crystal structure of the ternary complex of sp-asadh with NADP and 1, 2,3-benzenetricarboxylic acid (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/357 of 4r3nA

query
sites
4r3nA

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V
|
V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R

R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-
x
S

A
|
A

G
|
G

G
x
S

K

S

A

T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N
|
N

S
x
T

S
|
S

N

Y

F

F

R
|
R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G

G

A

A

G
|
G

K
x
M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E

E

W

M

K
|
K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H
|
H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G
|
G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

active site: C127 (= C128), Q154 (= Q155), R244 (= R234), H251 (= H241)
binding benzene-1,2,3-tricarboxylic acid: S73 (≠ G74), T94 (≠ S95), S95 (= S96), R98 (= R99), N126 (= N127), K222 (= K212)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), V13 (= V15), A35 (= A37), S36 (≠ T38), S39 (= S41), T56 (= T58), S70 (vs. gap), A71 (= A72), G72 (= G73), N93 (= N94), T94 (≠ S95), N126 (= N127), C127 (= C128), G160 (= G161), M161 (≠ K162), G328 (= G318)

3q1lA Crystals structure of aspartate beta-semialdehyde dehydrogenase from streptococcus pneumoniae with cysteamine bound covalently to cys 128 (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/357 of 3q1lA

query
sites
3q1lA

N

T

V

V

V

A

V

V

G

G

A

A

S

T

G

G

A

A

V

V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A

A

T

S

S

A

R

R

S

S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-

S

A

A

G

G

G

S

K

S

A

T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N

N

S

T

S

S

N

Y

F

F

R

R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G
|
G

A

A

G

G

K

M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E
|
E

E

E

W

M

K

K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H
|
H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G

G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

active site: C127 (= C128), Q154 (= Q155), R244 (= R234), H251 (= H241)
binding 2-amino-ethanethiol: N126 (= N127), C127 (= C128), G158 (= G159), E219 (= E209)

3pwsA Crystal structure of aspartate beta-semialdehide dehydrogenase from streptococcus pneumoniae with 2',5'-adenosine diphosphate and d-2- aminoadipate (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/357 of 3pwsA

query
sites
3pwsA

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V

V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-

S

A
|
A

G

G

G

S

K

S

A
x
T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N

N

S

T

S

S

N

Y

F

F

R
|
R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C

C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I
|
I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E
|
E

E

E

W

M

K
|
K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H

H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G

G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding (2R)-2-aminohexanedioic acid: R98 (= R99), N126 (= N127), G158 (= G159), I208 (= I198), E219 (= E209), K222 (= K212), R244 (= R234)
binding adenosine-2'-5'-diphosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), A71 (= A72), T75 (≠ A76), G160 (= G161), M161 (≠ K162)

3pwkA Crystal structure of aspartate beta-semialdehide dehydrogenase from streptococcus pneumoniae with 2',5'-adenosine diphosphate and d-2- aminoadipate (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/357 of 3pwkA

query
sites
3pwkA

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V

V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-

S

A
|
A

G

G

G

S

K

S

A
x
T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N

N

S

T

S

S

N

Y

F

F

R
|
R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C

C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G
|
G

A
|
A

G
|
G

K

M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E
|
E

E

E

W

M

K
|
K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H

H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G

G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding 5'-o-monophosphoryladenylyl(2'->5')adenylyl(2'->5')adenosine: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), A71 (= A72), T75 (≠ A76), G160 (= G161)
binding trans-cyclohexane-1,4-dicarboxylic acid: R98 (= R99), N126 (= N127), G158 (= G159), A159 (= A160), E219 (= E209), K222 (= K212), R244 (= R234)

2gz3A Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with NADP and aspartate- semialdehyde (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/357 of 2gz3A

query
sites
2gz3A

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V
|
V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-
x
S

A
|
A

G
|
G

G

S

K

S

A
x
T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N
|
N

S

T

S

S

N

Y

F

F

R

R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N

N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E
|
E

E

E

W

M

K

K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H
|
H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q
x
N

I

L

R

L

K

K

G

G

A
|
A

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

active site: C127 (= C128), Q154 (= Q155), R244 (= R234), H251 (= H241)
binding (2r)-2-amino-4-oxobutanoic acid: C127 (= C128), Q154 (= Q155), G158 (= G159), E219 (= E209), R244 (= R234), H251 (= H241)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), V13 (= V15), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), S70 (vs. gap), A71 (= A72), G72 (= G73), T75 (≠ A76), N93 (= N94), G158 (= G159), G160 (= G161), M161 (≠ K162), N324 (≠ Q314), A329 (= A319)

2gz2A Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with 2',5'-adp (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/357 of 2gz2A

query
sites
2gz2A

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A

A

V

V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-

S

A
|
A

G

G

G

S

K

S

A
x
T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N

N

S

T

S

S

N

Y

F

F

R

R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N

N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G

G

A

A

G

G

K

M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E

E

W

M

K

K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H
|
H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G

G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

active site: C127 (= C128), Q154 (= Q155), R244 (= R234), H251 (= H241)
binding adenosine-2'-5'-diphosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), A71 (= A72), T75 (≠ A76)

2gz1A Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with NADP (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/357 of 2gz1A

query
sites
2gz1A

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V
|
V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-
x
S

A
|
A

G
|
G

G

S

K

S

A
x
T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N
|
N

S

T

S

S

N

Y

F

F

R

R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N

N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S
|
S

G
|
G

A

A

G
|
G

K
x
M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E

E

W

M

K

K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H
|
H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q
x
N

I
x
L

R

L

K

K

G

G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

active site: C127 (= C128), Q154 (= Q155), R244 (= R234), H251 (= H241)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), V13 (= V15), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), S70 (vs. gap), A71 (= A72), G72 (= G73), T75 (≠ A76), N93 (= N94), S157 (= S158), G158 (= G159), G160 (= G161), M161 (≠ K162), N324 (≠ Q314), L325 (≠ I315)

3q11A Crystals structure of aspartate beta-semialdehyde dehydrogenase from streptococcus pneumoniae with NADP and aspartyl beta- difluorophosphonate (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/358 of 3q11A

query
sites
3q11A

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A

A

V

V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-

S

A
|
A

G

G

G

S

K

S

A
x
T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N

N

S

T

S

S

N

Y

F

F

R
|
R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

E
x
G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E
|
E

E

E

W

M

K
|
K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H

H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G

G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), A71 (= A72), T75 (≠ A76), G160 (= G161), M161 (≠ K162), G162 (≠ E163)
binding 5,5-difluoro-4-oxo-5-phosphono-D-norvaline: R98 (= R99), N126 (= N127), C127 (= C128), Q154 (= Q155), G158 (= G159), E219 (= E209), K222 (= K212), R244 (= R234)

4r5hA Crystal structure of sp-aspartate-semialdehyde-dehydrogenase with nicotinamide-adenine-dinucleotide-phosphate and 3-carboxy-propenyl- phthalic acid (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/359 of 4r5hA

query
sites
4r5hA

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V
|
V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-
x
S

A
|
A

G
|
G

G
x
S

K

S

A
x
T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N
|
N

S
x
T

S
|
S

N

Y

F

F

R
|
R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P
|
P

N
|
N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E

E

W

M

K
|
K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H
|
H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G
|
G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid: S73 (≠ G74), T94 (≠ S95), S95 (= S96), R98 (= R99), N126 (= N127), C127 (= C128), Q154 (= Q155), G158 (= G159), K222 (= K212), R244 (= R234), H251 (= H241)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), V13 (= V15), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), S70 (vs. gap), A71 (= A72), G72 (= G73), T75 (≠ A76), N93 (= N94), T94 (≠ S95), P125 (= P126), N126 (= N127), C127 (= C128), G160 (= G161), M161 (≠ K162), G328 (= G318)

4r4jA Crystal structure of complex sp_asadh with 3-carboxypropyl-phthalic acid and nicotinamide adenine dinucleotide phosphate (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/359 of 4r4jA

query
sites
4r4jA

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V
|
V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-
x
S

A
|
A

G
|
G

G

S

K

S

A
x
T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N
|
N

S
x
T

S
|
S

N

Y

F

F

R
|
R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G
|
G

A

A

G
|
G

K
x
M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E
|
E

E

E

W

M

K
|
K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H
|
H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G
|
G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding 3-(3-carboxypropyl)benzene-1,2-dicarboxylic acid: T94 (≠ S95), S95 (= S96), R98 (= R99), N126 (= N127), C127 (= C128), Q154 (= Q155), G158 (= G159), E219 (= E209), K222 (= K212), R244 (= R234), H251 (= H241)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), V13 (= V15), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), S70 (vs. gap), A71 (= A72), G72 (= G73), T75 (≠ A76), N93 (= N94), T94 (≠ S95), N126 (= N127), C127 (= C128), G160 (= G161), M161 (≠ K162), G328 (= G318)

3pyxB Crystals structure of aspartate beta-semialdehyde dehydrogenase complex with NADP and 2-aminoterephthalate (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/359 of 3pyxB

query
sites
3pyxB

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V
|
V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R
|
R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-
x
S

A
|
A

G
|
G

G

S

K

S

A
x
T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N

N

S

T

S

S

N

Y

F

F

R
|
R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N

N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q

Q

A

A

V

V

S
|
S

G
|
G

A

A

G
|
G

K
x
M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E
|
E

E

E

W

M

K
|
K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H

H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q
x
N

I
x
L

R

L

K

K

G

G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding 2-aminobenzene-1,4-dicarboxylic acid: R98 (= R99), G158 (= G159), E219 (= E209), K222 (= K212), R244 (= R234)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), V13 (= V15), A35 (= A37), S36 (≠ T38), R38 (= R40), S39 (= S41), T56 (= T58), S70 (vs. gap), A71 (= A72), G72 (= G73), T75 (≠ A76), C127 (= C128), S157 (= S158), G158 (= G159), G160 (= G161), M161 (≠ K162), N324 (≠ Q314), L325 (≠ I315)

4r51A Crystal complex structure of sp-aspartate-semialdehyde-dehydrogenase with nicotinamide adenine dinucleotide phosphate and phthalic acid (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/360 of 4r51A

query
sites
4r51A

N

T

V

V

V

A

V

V

G
|
G

A

A

S
x
T

G
|
G

A
|
A

V
|
V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A
|
A

T
x
S

S

A

R

R

S
|
S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T
|
T

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-
x
S

A
|
A

G
|
G

G
x
S

K

S

A

T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N
|
N

S
x
T

S
|
S

N

Y

F

F

R
|
R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G

G

A

A

G
|
G

K
x
M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E

E

W

M

K
|
K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R

R

V

I

P

P

V

V

Y

L

R

S

S

A

H

H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G
|
G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G10), T10 (≠ S12), G11 (= G13), A12 (= A14), V13 (= V15), A35 (= A37), S36 (≠ T38), S39 (= S41), T56 (= T58), S70 (vs. gap), A71 (= A72), G72 (= G73), N93 (= N94), T94 (≠ S95), N126 (= N127), C127 (= C128), G160 (= G161), M161 (≠ K162), G328 (= G318)
binding phthalic acid: S73 (≠ G74), T94 (≠ S95), S95 (= S96), R98 (= R99), N126 (= N127), K222 (= K212)

3pylC Crystal structure of aspartate beta-semialdehide dehydrogenase from streptococcus pneumoniae with d-2,3-diaminopropionate (see paper)
47% identity, 96% coverage: 5:330/340 of query aligns to 3:340/361 of 3pylC

query
sites
3pylC

N

T

V

V

V

A

V

V

G

G

A

A

S

T

G

G

A

A

V

V

G

G

Q

A

E

Q

I

M

L

I

N

K

I

M

L

L

S

E

E

E

R

S

N

T

F

L

P

P

I

I

E

D

N

K

L

I

K

R

L

Y

C

L

A

A

T

S

S

A

R

R

S

S

A

A

G

G

T

K

E

S

I

L

D

K

F

F

Q

K

G

D

R

Q

K

D

Y

I

R

T

V

I

E

E

T

T

P

E

D

T

S

A

F

F

T

E

G

G

M

V

D

D

I

I

A

A

L

L

V

F

-

S

A

A

G

G

G

S

K

S

A

T

S

S

V

A

E

K

F

Y

R

A

E

P

A

Y

A

A

F

V

A

K

R

A

G

G

C

V

I

V

D

D

N

N

S

T

S

S

N

Y

F

F

R

R

M

Q

D

N

P

P

E

D

V

V

P

P

L

L

V

V

P

P

E

E

V

V

N

N

P

A

E

H

D

A

V

L

K

D

G

A

H

H

K

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

I

Q

M

M

V

M

V

V

A

A

L

L

K

E

P

P

I

V

Y

R

D

Q

A

K

A

W

G

G

I

L

K

D

R

R

V

I

V

V

S

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G
|
G

A

A

G

G

K

M

E

G

G

A

I

I

E

L

E

E

L

T

T

Q

A

R

Q

E

T

L

K

R

A

E

V

V

L

L

E

N

G

D

S

G

E

V

Y

K

P

P

P

C

N

D

K

L

F

H

A

A

-

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

Y

Y

P

P

I

I

A

A

F

F

N

N

L

A

I

L

P

P

H

Q

I

I

D

D

V

V

F

F

Q

T

E

D

M

N

D

D

Y

Y

T

T

K

Y

E
|
E

E

E

W

M

K

K

M

M

V

T

K

K

E

E

T

T

Q

K

K

K

I

I

L

M

H

E

D

D

S

D

E

S

I

I

K

A

I

V

T

S

A

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

Y

L

R

S

S

A

H

H

S

S

E

E

S

S

I

V

N

Y

I

I

E

E

T

T

K

K

Q

E

K

V

L

A

T

P

V

I

E

E

K

E

V

V

K

K

E

A

I

A

L

I

S

A

Q

A

A

F

P

P

G

G

M

A

I

V

V

L

Q

E

D

D

V

V

Q

A

N

H

K

Q

N

I

Y

Y

P

P

M

Q

P

A

L

I

F

N

T

A

S

V

G

G

R

S

D

R

E

D

V

T

F

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

N

L

T

D

I

A

E

E

K

K

G

G

L

I

N

H

L

M

W

W

V

V

G

S

D

D

Q

N

I

L

R

L

K

K

G

G

A

A

T

W

N

N

A

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding 3-amino-D-alanine: N126 (= N127), C127 (= C128), G158 (= G159), E219 (= E209), R244 (= R234)

3tz6A Crystal structure of aspartate semialdehyde dehydrogenase complexed with inhibitor smcs (cys) and phosphate from mycobacterium tuberculosis h37rv (see paper)
43% identity, 96% coverage: 4:330/340 of query aligns to 2:340/342 of 3tz6A

query
sites
3tz6A

V

L

N

S

V

I

V

G

V

I

V

V

G

G

A

A

S

T

G

G

A

Q

V

V

G

G

Q

Q

E

V

I

M

L

R

N

T

I

L

L

L

S

D

E

E

R

R

N

D

F

F

P

P

I

A

E

S

N

A

L

V

K

R

L

F

C

F

A

A

T

S

S

A

R

R

S

S

A

Q

G

G

T

R

E

K

I

L

D

A

F

F

Q

R

G

G

R

Q

K

E

Y

I

R

E

V

V

E

E

E

D

T

A

T

E

P

T

D

A

S

D

F

P

T

S

G

G

M

L

D

D

I

I

A

A

L

L

V

F

A

S

G

A

G

G

K

S

A

A

S

M

V

S

E

K

F

V

R

Q

E

A

A

P

A

R

F

F

A

A

R

A

-

A

G

G

C

V

I

T

I

V

I

I

D

D

N

N

S

S

N

A

F

W

R
|
R

M

K

D

D

P

P

E

D

V

V

P

P

L

L

V

V

P
x
S

E

E

V

V

N

N

P

F

E

E

D

R

V

-

K

D

G

A

H
|
H

-

R

-
x
R

-

P

K

K

G

G

I

I

A

A

N

N

P

P

N
|
N

C
|
C

S

T

T

T

I

M

I

A

M

A

V

M

V

P

A

V

L

L

K

K

P

V

I

L

Y

H

D

D

A

E

A

A

G

R

I

L

K

V

R

R

V

L

V

V

S

S

T

S

Y

Y

Q
|
Q

A

A

V

V

S

S

G
|
G

A

S

G

G

K

L

E

A

G

G

I

V

E

A

E

E

L

L

T

A

A

E

Q

Q

T

A

K

R

A

A

V

V

L

I

E

G

G

G

S

A

E

E

Y

Q

-

L

-

V

-

Y

-

D

-
x
G

-

G

-

A

-

L

-

E

-
x
F

-

P

P

P

N

N

K

T

F

Y

A

V

Y

A

P
|
P

I

I

A

A

F

F

N

N

L

V

I

V

P

P

H

L

I

A

D

G

-

S

-

L

V

V

F

D

Q

D

E

G

M

S

D

G

Y

E

T

T

K

D

E
|
E

E

D

W
x
Q

K
|
K

M

L

V
x
R

K
x
F

E

E

T

S

Q

R

K

K

I

I

L

L

H

G

D

I

S

P

E

D

I

L

K

L

I

V

T

S

A

G

T

T

T

C

V

V

R
|
R

V

V

P

P

V

V

Y

F

R

T

S

G

H
|
H

S

S

E

L

S

S

I

I

N

N

I

A

E

E

T

F

K

A

Q

Q

K

P

L

L

T

S

V

P

E
|
E

K

R

V

A

K
x
R

E

E

I

L

L

L

S

D

Q

G

A

A

P

T

G

G

M

-

I

-

V

-

Q

-

D

-

V

V

Q

Q

N

L

K

V

N

D

Y

V

P

P

M

T

P

P

L

L

F

A

T

A

S

A

G

G

R

V

D

D

E

E

V

S

F

L

V

V

G

G

R

R

I

I

R

R

E

R

D

D

N

P

T

G

I

V

E

P

-

D

-

G

K

R

G

G

L

L

N

A

L

L

W

F

V

V

V

S

G

G

D

D

Q

N

I

L

R

R

K

K

G

G

A

A

T

L

N

N

A

T

V

I

Q
|
Q

I

I

A

A

E
|
E

L
|
L

L

L

active site: C129 (= C128), Q156 (= Q155), R248 (= R234), H255 (= H241)
binding cysteine: C129 (= C128), Q156 (= Q155), G160 (= G159), E223 (= E209), R248 (= R234), H255 (= H241)
binding glycerol: S108 (≠ P109), G187 (vs. gap), F192 (vs. gap), P201 (= P189), Q225 (≠ W211), R228 (≠ V214), F229 (≠ K215), Q335 (= Q325), E338 (= E328), L339 (= L329)
binding sulfate ion: R98 (= R99), H117 (= H119), R119 (vs. gap), N128 (= N127), C129 (= C128), K226 (= K212), E270 (= E256), R273 (≠ K259)

Query Sequence

>WP_013841939.1 NCBI__GCF_000215085.1:WP_013841939.1
MKKVNVVVVGASGAVGQEILNILSERNFPIENLKLCATSRSAGTEIDFQGRKYRVEETTP
DSFTGMDIALVAGGKASVEFREAAFARGCIIIDNSSNFRMDPEVPLVVPEVNPEDVKGHK
GIIANPNCSTIIMVVALKPIYDAAGIKRVVVSTYQAVSGAGKEGIEELTAQTKAVLEGSE
YPPNKFAYPIAFNLIPHIDVFQEMDYTKEEWKMVKETQKILHDSEIKITATTVRVPVYRS
HSESINIETKQKLTVEKVKEILSQAPGMIVQDDVQNKNYPMPLFTSGRDEVFVGRIREDN
TIEKGLNLWVVGDQIRKGAATNAVQIAELLLQYNCLMEKR

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