SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011814594.1 NCBI__GCF_000015585.1:WP_011814594.1 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)
62% identity, 100% coverage: 1:340/340 of query aligns to 1:337/337 of P23247

query
sites
P23247

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

2r00C Crystal structure of aspartate semialdehyde dehydrogenase ii complexed with asa from vibrio cholerae (see paper)
62% identity, 100% coverage: 2:340/340 of query aligns to 1:336/336 of 2r00C

query
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2r00C

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active site: C131 (= C132), Q158 (= Q159), R237 (= R238), H244 (= H245)
binding 2,2'-oxydiacetic acid: V15 (= V16), N95 (= N96), C131 (= C132), N315 (= N319)

4r5hA Crystal structure of sp-aspartate-semialdehyde-dehydrogenase with nicotinamide-adenine-dinucleotide-phosphate and 3-carboxy-propenyl- phthalic acid (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/359 of 4r5hA

query
sites
4r5hA

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binding 3-[(1E)-3-carboxyprop-1-en-1-yl]benzene-1,2-dicarboxylic acid: S73 (≠ G76), T94 (= T97), S95 (= S98), R98 (= R101), N126 (= N131), C127 (= C132), Q154 (= Q159), G158 (= G163), K222 (= K216), R244 (= R238), H251 (= H245)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), V13 (= V16), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), S70 (= S73), A71 (= A74), G72 (= G75), T75 (≠ I78), N93 (= N96), T94 (= T97), P125 (= P130), N126 (= N131), C127 (= C132), G160 (= G165), M161 (≠ K166), G328 (= G323)

4r4jA Crystal structure of complex sp_asadh with 3-carboxypropyl-phthalic acid and nicotinamide adenine dinucleotide phosphate (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/359 of 4r4jA

query
sites
4r4jA

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F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E
|
E

E

E

M

M

K
|
K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H
|
H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G
|
G

A

A

L

W

N

N

S

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 (= T97), S95 (= S98), R98 (= R101), N126 (= N131), C127 (= C132), Q154 (= Q159), G158 (= G163), E219 (= E213), K222 (= K216), R244 (= R238), H251 (= H245)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), V13 (= V16), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), S70 (= S73), A71 (= A74), G72 (= G75), T75 (≠ I78), N93 (= N96), T94 (= T97), N126 (= N131), C127 (= C132), G160 (= G165), M161 (≠ K166), G328 (= G323)

3pyxB Crystals structure of aspartate beta-semialdehyde dehydrogenase complex with NADP and 2-aminoterephthalate (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/359 of 3pyxB

query
sites
3pyxB

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A
|
A

V
|
V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R
|
R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S
|
S

A
|
A

G
|
G

G

S

S

S

I
x
T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N

N

T

T

S

S

H

Y

F

F

R
|
R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N

N

C
|
C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q

Q

A

A

V

V

S
|
S

G
|
G

S

A

G
|
G

K
x
M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E
|
E

E

E

M

M

K
|
K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H

H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N
|
N

V
x
L

R

L

K

K

G

G

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding 2-aminobenzene-1,4-dicarboxylic acid: R98 (= R101), G158 (= G163), E219 (= E213), K222 (= K216), R244 (= R238)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), V13 (= V16), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), S70 (= S73), A71 (= A74), G72 (= G75), T75 (≠ I78), C127 (= C132), S157 (= S162), G158 (= G163), G160 (= G165), M161 (≠ K166), N324 (= N319), L325 (≠ V320)

4r51A Crystal complex structure of sp-aspartate-semialdehyde-dehydrogenase with nicotinamide adenine dinucleotide phosphate and phthalic acid (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/360 of 4r51A

query
sites
4r51A

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A
|
A

V
|
V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R

R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S
|
S

A
|
A

G
|
G

G
x
S

S

S

I

T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N
|
N

T
|
T

S
|
S

H

Y

F

F

R
|
R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G

G

S

A

G
|
G

K
x
M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E

E

M

M

K
|
K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R

R

V

I

P

P

V

V

V

L

Y

S

G

A

H

H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G
|
G

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), V13 (= V16), A35 (= A38), S36 (= S39), S39 (= S42), T56 (≠ L59), S70 (= S73), A71 (= A74), G72 (= G75), N93 (= N96), T94 (= T97), N126 (= N131), C127 (= C132), G160 (= G165), M161 (≠ K166), G328 (= G323)
binding phthalic acid: S73 (≠ G76), T94 (= T97), S95 (= S98), R98 (= R101), N126 (= N131), K222 (= K216)

3pylC Crystal structure of aspartate beta-semialdehide dehydrogenase from streptococcus pneumoniae with d-2,3-diaminopropionate (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/361 of 3pylC

query
sites
3pylC

Y

Y

D

T

V

V

A

A

V

V

G

G

A

A

T

T

G

G

A

A

V

V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A

A

S

S

A

A

R

R

S

S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L

T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S

S

A

A

G

G

G

S

S

S

I

T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N

N

T

T

S

S

H

Y

F

F

R

R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G
|
G

S

A

G

G

K

M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E
|
E

E

E

M

M

K

K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H

H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G

G

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding 3-amino-D-alanine: N126 (= N131), C127 (= C132), G158 (= G163), E219 (= E213), R244 (= R238)

3q11A Crystals structure of aspartate beta-semialdehyde dehydrogenase from streptococcus pneumoniae with NADP and aspartyl beta- difluorophosphonate (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/358 of 3q11A

query
sites
3q11A

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A

A

V

V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R
|
R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S

S

A
|
A

G

G

G

S

S

S

I
x
T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N

N

T

T

S

S

H

Y

F

F

R
|
R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G
|
G

S

A

G
|
G

K
x
M

P
x
G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E
|
E

E

E

M

M

K
|
K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H

H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G

G

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), T10 (= T13), G11 (= G14), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), A71 (= A74), T75 (≠ I78), G160 (= G165), M161 (≠ K166), G162 (≠ P167)
binding 5,5-difluoro-4-oxo-5-phosphono-D-norvaline: R98 (= R101), N126 (= N131), C127 (= C132), Q154 (= Q159), G158 (= G163), E219 (= E213), K222 (= K216), R244 (= R238)

4r54A Complex crystal structure of sp-aspartate-semialdehyde-dehydrogenase with 3-carboxy-ethyl-phthalic acid (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/357 of 4r54A

query
sites
4r54A

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A
|
A

V
|
V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R
|
R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S
|
S

A
|
A

G
|
G

G
x
S

S

S

I
x
T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N
|
N

T
|
T

S
|
S

H

Y

F

F

R
|
R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G

G

S

A

G
|
G

K

M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E

E

M

M

K
|
K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R

R

V

I

P

P

V

V

V

L

Y

S

G

A

H

H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G
|
G

A

A

L

W

N

N

S

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 (= G75), S73 (≠ G76), T94 (= T97), S95 (= S98), R98 (= R101), K222 (= K216)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), V13 (= V16), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), S70 (= S73), A71 (= A74), G72 (= G75), T75 (≠ I78), N93 (= N96), T94 (= T97), N126 (= N131), C127 (= C132), G160 (= G165), G328 (= G323)

4r41A Complex crystal structure of 4-nitro-2-phosphono-benzoic acid with sp- aspartate-semialdehyde dehydrogenase and nicotinamide-dinucleotide (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/357 of 4r41A

query
sites
4r41A

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A
|
A

V

V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R
|
R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S
|
S

A
|
A

G
|
G

G
x
S

S

S

I

T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N
|
N

T
|
T

S
|
S

H

Y

F

F

R
|
R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N

N

C

C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G

G

S

A

G
|
G

K
x
M

P
x
G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E

E

M

M

K
|
K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R

R

V

I

P

P

V

V

V

L

Y

S

G

A

H

H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G

G

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding 4-nitro-2-phosphonobenzoic acid: S70 (= S73), G72 (= G75), S73 (≠ G76), N93 (= N96), T94 (= T97), S95 (= S98), R98 (= R101), K222 (= K216)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), A71 (= A74), G160 (= G165), M161 (≠ K166), G162 (≠ P167)

4r3nA Crystal structure of the ternary complex of sp-asadh with NADP and 1, 2,3-benzenetricarboxylic acid (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/357 of 4r3nA

query
sites
4r3nA

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A
|
A

V
|
V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R

R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S
|
S

A
|
A

G
|
G

G
x
S

S

S

I

T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N
|
N

T
|
T

S
|
S

H

Y

F

F

R
|
R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G

G

S

A

G
|
G

K
x
M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E

E

M

M

K
|
K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H
|
H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G
|
G

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

active site: C127 (= C132), Q154 (= Q159), R244 (= R238), H251 (= H245)
binding benzene-1,2,3-tricarboxylic acid: S73 (≠ G76), T94 (= T97), S95 (= S98), R98 (= R101), N126 (= N131), K222 (= K216)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), V13 (= V16), A35 (= A38), S36 (= S39), S39 (= S42), T56 (≠ L59), S70 (= S73), A71 (= A74), G72 (= G75), N93 (= N96), T94 (= T97), N126 (= N131), C127 (= C132), G160 (= G165), M161 (≠ K166), G328 (= G323)

3q1lA Crystals structure of aspartate beta-semialdehyde dehydrogenase from streptococcus pneumoniae with cysteamine bound covalently to cys 128 (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/357 of 3q1lA

query
sites
3q1lA

Y

Y

D

T

V

V

A

A

V

V

G

G

A

A

T

T

G

G

A

A

V

V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A

A

S

S

A

A

R

R

S

S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L

T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S

S

A

A

G

G

G

S

S

S

I

T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N

N

T

T

S

S

H

Y

F

F

R

R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C
|
C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G
|
G

S

A

G

G

K

M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E
|
E

E

E

M

M

K

K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H
|
H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G

G

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

active site: C127 (= C132), Q154 (= Q159), R244 (= R238), H251 (= H245)
binding 2-amino-ethanethiol: N126 (= N131), C127 (= C132), G158 (= G163), E219 (= E213)

3pwsA Crystal structure of aspartate beta-semialdehide dehydrogenase from streptococcus pneumoniae with 2',5'-adenosine diphosphate and d-2- aminoadipate (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/357 of 3pwsA

query
sites
3pwsA

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A
|
A

V

V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R
|
R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S

S

A
|
A

G

G

G

S

S

S

I
x
T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N

N

T

T

S

S

H

Y

F

F

R
|
R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C

C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G
|
G

S

A

G
|
G

K
x
M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I
|
I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E
|
E

E

E

M

M

K
|
K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H

H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G

G

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

binding (2R)-2-aminohexanedioic acid: R98 (= R101), N126 (= N131), G158 (= G163), I208 (= I202), E219 (= E213), K222 (= K216), R244 (= R238)
binding adenosine-2'-5'-diphosphate: G8 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), A71 (= A74), T75 (≠ I78), G160 (= G165), M161 (≠ K166)

3pwkA Crystal structure of aspartate beta-semialdehide dehydrogenase from streptococcus pneumoniae with 2',5'-adenosine diphosphate and d-2- aminoadipate (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/357 of 3pwkA

query
sites
3pwkA

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A
|
A

V

V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R
|
R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S

S

A
|
A

G

G

G

S

S

S

I
x
T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N

N

T

T

S

S

H

Y

F

F

R
|
R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N
|
N

C

C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G
|
G

S
x
A

G
|
G

K

M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E
|
E

E

E

M

M

K
|
K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H

H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G

G

A

A

L

W

N

N

S

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 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), A71 (= A74), T75 (≠ I78), G160 (= G165)
binding trans-cyclohexane-1,4-dicarboxylic acid: R98 (= R101), N126 (= N131), G158 (= G163), A159 (≠ S164), E219 (= E213), K222 (= K216), R244 (= R238)

2gz3A Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with NADP and aspartate- semialdehyde (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/357 of 2gz3A

query
sites
2gz3A

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A
|
A

V
|
V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R
|
R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S
|
S

A
|
A

G
|
G

G

S

S

S

I
x
T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N
|
N

T

T

S

S

H

Y

F

F

R

R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N

N

C
|
C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G
|
G

S

A

G
|
G

K
x
M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E
|
E

E

E

M

M

K

K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H
|
H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N
|
N

V

L

R

L

K

K

G

G

A
|
A

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

active site: C127 (= C132), Q154 (= Q159), R244 (= R238), H251 (= H245)
binding (2r)-2-amino-4-oxobutanoic acid: C127 (= C132), Q154 (= Q159), G158 (= G163), E219 (= E213), R244 (= R238), H251 (= H245)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), V13 (= V16), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), S70 (= S73), A71 (= A74), G72 (= G75), T75 (≠ I78), N93 (= N96), G158 (= G163), G160 (= G165), M161 (≠ K166), N324 (= N319), A329 (= A324)

2gz2A Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with 2',5'-adp (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/357 of 2gz2A

query
sites
2gz2A

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A

A

V

V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R
|
R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S

S

A
|
A

G

G

G

S

S

S

I
x
T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N

N

T

T

S

S

H

Y

F

F

R

R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N

N

C
|
C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S

S

G

G

S

A

G

G

K

M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E

E

M

M

K

K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H
|
H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G

G

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

active site: C127 (= C132), Q154 (= Q159), R244 (= R238), H251 (= H245)
binding adenosine-2'-5'-diphosphate: G8 (= G11), T10 (= T13), G11 (= G14), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), A71 (= A74), T75 (≠ I78)

2gz1A Structure of aspartate semialdehyde dehydrogenase (asadh) from streptococcus pneumoniae complexed with NADP (see paper)
50% identity, 97% coverage: 5:335/340 of query aligns to 2:340/357 of 2gz1A

query
sites
2gz1A

Y

Y

D

T

V

V

A

A

V

V

G
|
G

A

A

T
|
T

G
|
G

A
|
A

V
|
V

G

G

E

A

V

Q

M

M

L

I

S

K

I

M

L

L

A

E

E

E

R

S

G

T

F

L

P

P

A

I

R

D

K

K

I

I

Y

R

P

Y

L

L

A
|
A

S
|
S

A

A

R
|
R

S
|
S

A

A

G

G

R

K

T

S

V

L

S

K

F

F

A

K

G

D

Q

Q

E

D

L

I

E

T

I

I

Q

E

D

E

L
x
T

A

T

Q

E

F

T

D

A

F

F

S

E

Q

G

V

V

Q

D

I

I

A

A

L

L

F

F

S
|
S

A
|
A

G
|
G

G

S

S

S

I
x
T

S

S

A

A

E

K

H

Y

A

A

P

P

R

Y

A

A

A

V

E

K

A

A

G

G

A

V

V

V

I

V

D

D

N
|
N

T

T

S

S

H

Y

F

F

R

R

Y

Q

D

N

D

P

D

D

I

V

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

A

H

H

A

A

V

L

A

D

G

A

Y

H

K

-

R

N

G

G

I

I

A

A

N

C

P

P

N

N

C
|
C

S

S

T

T

I

I

Q

Q

M

M

L

M

V

V

A

A

L

L

K

E

P

P

I

V

H

R

D

Q

A

K

V

W

G

G

I

L

E

D

R

R

I

I

N

I

V

V

A

S

T

T

Y

Y

Q
|
Q

A

A

V

V

S
|
S

G
|
G

S

A

G
|
G

K
x
M

P

G

A

A

I

I

D

L

E

E

L

T

N

Q

A

R

Q

E

S

L

R

R

A

E

I

V

L

L

D

N

G

D

G

G

E

V

P

K

Q

P

C

C

A

D

E

L

Y

H

P

A

K

E

-

I

-

L

-

P

-

S

-

G

-

D

-

K

-

H

-

Y

P

P

I

I

A

A

F

F

N

N

C

A

L

L

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

Y

E

E

M

M

K

K

M

M

V

T

W

K

E

E

T

T

I

K

K

K

I

I

F

M

E

E

D

D

S

D

S

S

V

I

R

A

V

V

N

S

P

A

T

T

T

C

V

V

R
|
R

V

I

P

P

V

V

V

L

Y

S

G

A

H
|
H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

T

R

K

E

E

R

V

I

A

T

P

A

I

E

E

R

E

A

V

R

K

Q

A

V

A

L

I

S

A

A

F

P

P

G

G

V

A

E

V

V

L

L

E

D

D

E

D

R

V

T

A

G

H

G

Q

G

I

Y

Y

P

P

T

Q

A

A

L

I

T

N

E

A

A

V

A

G

G

S

R

R

D

D

P

-

V

T

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

A

E

E

R

K

G

G

L

I

D

H

L

M

W

W

V

V

A

S

D

D

N
|
N

V
x
L

R

L

K

K

G

G

A

A

L

W

N

N

S

S

V

V

Q

Q

I

I

A

A

E

E

L

T

L

L

active site: C127 (= C132), Q154 (= Q159), R244 (= R238), H251 (= H245)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G11), T10 (= T13), G11 (= G14), A12 (= A15), V13 (= V16), A35 (= A38), S36 (= S39), R38 (= R41), S39 (= S42), T56 (≠ L59), S70 (= S73), A71 (= A74), G72 (= G75), T75 (≠ I78), N93 (= N96), S157 (= S162), G158 (= G163), G160 (= G165), M161 (≠ K166), N324 (= N319), L325 (≠ V320)

Q04797 Aspartate-semialdehyde dehydrogenase; ASA dehydrogenase; ASADH; Aspartate-beta-semialdehyde dehydrogenase; EC 1.2.1.11 from Bacillus subtilis (strain 168) (see paper)
50% identity, 99% coverage: 1:335/340 of query aligns to 1:340/346 of Q04797

query
sites
Q04797

M

M

S

G

K

R

Q

G

Y

L

D

H

V

V

A

A

V

V

G

G

A

A

T

T

G

G

A

A

V

V

G

G

E

Q

V

Q

M

M

L

L

S

K

I

T

L

L

A

E

E

D

R

R

G

N

F

F

P

E

A

M

R

D

K

T

I

L

Y

T

P

L

L

L

A

S

S

S

A

K

R

R

S

S

A

A

G

G

R

T

T

K

V

V

S

T

F

F

A

K

G

G

Q

Q

E

E

L

L

E

T

I

V

Q

Q

D

E

L

A

A

S

Q

P

F

E

D

S

F

F

S

E

Q

G

V

V

Q

N

I

I

A

A

L

L

F

F

S

S

A

A

G

G

S

S

I

V

S

S

A

Q

E

A

H

L

A

A

P

P

R

E

A

A

A

V

E

K

A

R

G

G

A

A

V

I

V

V

I

I

D

D

N

N

T

T

S
|
S

H

A

F

F

R

R

Y

M

D

D

D

E

D

N

I

T

P

P

L

L

I

V

P

P

E

E

V

V

N

N

P

E

H

A

A

D

V

L

A

-

G

-

Y

H

K

E

K

H

R

N

G

G

I

I

A

A

N

N

P

P

N

N

C

C

S

S

T

T

I

I

Q

Q

M

M

L

V

V

A

A

A

L

L

K

E

P

P

I

I

H

R

D

K

A

A

V
x
Y

G

G

I

L

E

N

R

K

I

V

N

I

V

V

A

S

T

T

Y

Y

Q

Q

A

A

V

V

S

S

G

G

S

A

G

G

K

N

P

E

A

A

I

V

D

K

E

E

L

L

N

Y

A

S

Q

Q

S

T

R

Q

A

A

I

I

L

L

D

N

G

K

G

E

E

E

P

I

Q

E

C

P

A

E

E

I

Y

M

P

P

-

V

-

K

-

G

-

D

-

K

-

H

K

Y

P

Q

I

I

A

A

F

F

N

N

C

A

L

I

P

P

H

Q

I

I

D

D

D

K

F

F

Q

Q

D

D

N

N

G

G

Y

Y

T

T

K

F

E

E

M

M

K

K

M

M

V

I

W

N

E

E

T

T

I

K

K

K

I

I

F

M

E

H

D

M

S

P

S

D

V

L

R

Q

V

V

N

A

P

A

T

T

T

C

V

V

R

R

V

L

P

P

V

I

V

Q

Y

T

G

G

H

H

S

S

E

E

A

S

V

V

H

Y

I

I

E

E

T

I

-

D

R

R

E

D

R

D

I

A

T

T

A

V

E

E

R

D

A

I

R

K

Q

N

V

L

L

L

S

K

S

E

A

A

P

P

G

G

V

V

E

T

V

L

L

Q

D

D

E

D

R

P

T

S

G

Q

G

L

Y

Y

P

P

T

M

A

P

L

-

T

A

E

D

A

A

A

V

G

G

R

K

D

N

P

D

V

V

Y

F

V

V

G

G

R

R

I

I

R

R

E

K

D

D

I

L

S

D

H

R

E

A

R

N

G

G

L

F

D

H

L

L

W

W

V

V

A

S

D

D

N

N

V

L

R

L

K

K

G

G

A

A

L

W

N

N

S

S

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V

Q

Q

I

I

A

A

E

E

L

S

L

L

S98 (= S98) modified: Phosphoserine
Y146 (≠ V148) modified: Phosphotyrosine

8jusA Crystal structure of aspartate semialdehyde dehydrogenase from porphyromonas gingivalis complexed with 2',5'adenosine diphosphate
47% identity, 98% coverage: 7:338/340 of query aligns to 3:332/335 of 8jusA

query
sites
8jusA

V

I

A

A

V

I

V

V

G
|
G

A

V

T
x
S

G
|
G

A

A

V

V

G

G

E

Q

V

E

M

F

L

L

S

R

I

V

L

L

A

S

E

Q

R

R

G

D

F

F

P

P

A

I

R

D

K

G

I

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Y

Y

P

L

L

F

A
x
G

S
|
S

A

S

R
|
R

S
|
S

A

A

G

G

R

S

T

V

V

Y

S

S

F

F

A

K

G

G

Q

K

E

E

L

Y

E

V

I

V

Q

R

D

E

L

L

A

K

Q

D

F

N

D

D

-

D

F

F

S

K

Q

G

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I

Q

D

I

I

A

A

L

F

F

C

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S

A
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A

G

G

S

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x
T

S

S

A

I

E

A

H

F

A

A

P

D

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T

A

I

A

T

E

R

A

H

G

G

A

T

V

L

V

M

I

I

D

D

N

N

T

S

S

S

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A

F

F

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M

D

Q

D

E

D

D

I

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P

P

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L

I

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P

E

E

V

V

N

N

P

G

H

D

A

D

V

-

A

A

G

L

Y

V

K

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K

P

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G

N

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I

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N

N

P

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A

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K

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P

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E

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D

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H

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A

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A

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A

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A

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V

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E

A

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I

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L

A

D

R

G

G

G

E

E

K

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T

C

V

A

D

E

K

Y

F

P

A

K

Y

P

Q

I

L

A

M

F

Y

N

N

C

L

L

I

P

P

H

Q

I

I

D

D

D

V

F

F

Q

T

D

D

N

N

G

D

Y

Y

T

T

K

K

E

E

M

M

K

K

M

M

V

Y

W

R

E

E

T

T

I

K

K

R

I

I

F

M

E

H

D

-

S

S

S

D

V

V

R

M

V

V

N

S

P

A

T

T

T

C

V

V

R

R

V

V

P

P

V

V

V

M

Y

R

G

A

H

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A

A

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H

W

I

V

E

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T

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E

E

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P

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I

T

A

A

P

E

E

R

E

A

A

R

R

Q

A

V

A

L

F

S

A

S

K

A

A

P

P

G

G

V

V

E

L

V

L

L

C

D

D

E

E

R

P

T

S

G

E

G

K

G

Q

Y

Y

P

P

T

M

A

P

L

L

T

F

E

-

A

G

A

T

G

E

R

Q

D

D

P

P

V

V

Y

I

V

V

G

G

R

R

I

I

R

R

E

Q

D

D

I

L

S

A

H

N

E

P

R

N

G

G

L

L

D

V

L

F

W

W

V

C

V

V

A

S

D

D

N

Q

V

I

R

R

K

K

G

G

A

A

L

L

N

N

S

A

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V

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Q

I

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A

A

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E

L

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L

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K

binding adenosine-2'-5'-diphosphate: G7 (= G11), S9 (≠ T13), G10 (= G14), G34 (≠ A38), S35 (= S39), R37 (= R41), S38 (= S42), S70 (= S73), A71 (= A74), T75 (≠ I78)

3tz6A Crystal structure of aspartate semialdehyde dehydrogenase complexed with inhibitor smcs (cys) and phosphate from mycobacterium tuberculosis h37rv (see paper)
46% identity, 97% coverage: 7:335/340 of query aligns to 4:340/342 of 3tz6A

query
sites
3tz6A

V

I

A

G

V

I

V

V

G

G

A

A

T

T

G

G

A

Q

V

V

G

G

E

Q

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M

M

L

R

S

T

I

L

L

L

A

D

E

E

R

R

G

D

F

F

P

P

A

A

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K

A

I

V

Y

R

P

F

L

F

A

A

S

S

A

A

R

R

S

S

A

Q

G

G

R

R

T

K

V

L

S

A

F

F

A

R

G

G

Q

Q

E

E

L

I

E

E

I

V

Q

E

D

D

L

A

A

E

Q

T

F

A

D

D

F

P

S

S

Q

G

V

L

Q

D

I

I

A

A

L

L

F

F

S

S

A

A

G

G

G

S

S

A

I

M

S

S

A

K

E

V

H

Q

A

A

P

P

R

R

A

F

A

A

E

A

A

A

G

G

A

V

V

T

V

V

I

I

D

D

N

N

T

S

S

S

H

A

F

W

R
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R

Y

K

D

D

D

P

D

D

I

V

P

P

L

L

I

V

P
x
S

E

E

V

V

N

N

P

F

H

E

A

R

V

D

A

A

G
x
H

Y

R

K
x
R

K

P

R

K

G

G

I

I

A

A

N

N

P

P

N
|
N

C
|
C

S

T

T

T

I

M

Q

A

M

A

L

M

V

P

A

V

L

L

K

K

P

V

I

L

H

H

D

D

A

E

V

A

G

R

I

L

E

V

R

R

I

L

N

V

V

V

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T

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Y

Y

Q
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Q

A

A

V

V

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S

G
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G

S

S

G

G

K

L

P

A

A

G

I

V

D

A

E

E

L

L

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A

A

E

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Q

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A

R

R

A

A

I

V

L

I

D

G

G

G

G

A

E

E

-

Q

-

L

-

V

-

Y

-

D

-
x
G

-

G

-

A

-

L

-

E

-
x
F

P

P

Q

P

C

P

A

N

E

T

Y

Y

P

V

K

A

P
|
P

I

I

A

A

F

F

N

N

C

V

L

V

P

P

H

L

I

A

D

G

D

S

F

L

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V

D

D

N

D

G

G

Y

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G

-

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E
|
E

E

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x
Q

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|
K

M

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x
R

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x
F

E

E

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K

I

I

F

L

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I

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D

V

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L

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S

P

G

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T

T

C

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V

R
|
R

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V

P

P

V

V

V

F

Y

T

G

G

H
|
H

S

S

E

L

A

S

V

I

H

N

I

A

E

E

T

F

R

A

E

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R

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I

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A

P

E
|
E

R

R

A

A

R
|
R

Q

E

V

L

L

L

S

D

S

G

A

A

P

T

G

G

V

V

E

Q

V

L

L

V

D

D

E

-

R

-

T

-

G

-

Y

V

P

P

T

T

A

P

L

L

T

A

E

-

A

A

G

G

R

V

D

D

P

E

V

S

Y

L

V

V

G

G

R

R

I

I

R

R

E

R

D

D

-

P

-

G

I

V

S

P

H

D

E

G

R

R

G

G

L

L

D

A

L

L

W

F

V

V

V

S

A

G

D

D

N

N

V

L

R

R

K

K

G

G

A

A

L

L

N

N

S

T

V

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Q
|
Q

I

I

A

A

E
|
E

L
|
L

L

L

active site: C129 (= C132), Q156 (= Q159), R248 (= R238), H255 (= H245)
binding cysteine: C129 (= C132), Q156 (= Q159), G160 (= G163), E223 (= E213), R248 (= R238), H255 (= H245)
binding glycerol: S108 (≠ P111), G187 (vs. gap), F192 (vs. gap), P201 (= P193), Q225 (≠ M215), R228 (≠ V218), F229 (≠ W219), Q335 (= Q330), E338 (= E333), L339 (= L334)
binding sulfate ion: R98 (= R101), H117 (≠ G120), R119 (≠ K122), N128 (= N131), C129 (= C132), K226 (= K216), E270 (= E260), R273 (= R263)

Query Sequence

>WP_011814594.1 NCBI__GCF_000015585.1:WP_011814594.1
MSKQYDVAVVGATGAVGEVMLSILAERGFPARKIYPLASARSAGRTVSFAGQELEIQDLA
QFDFSQVQIALFSAGGSISAEHAPRAAEAGAVVIDNTSHFRYDDDIPLIIPEVNPHAVAG
YKKRGIIANPNCSTIQMLVALKPIHDAVGIERINVATYQAVSGSGKPAIDELNAQSRAIL
DGGEPQCAEYPKPIAFNCLPHIDDFQDNGYTKEEMKMVWETIKIFEDSSVRVNPTTVRVP
VVYGHSEAVHIETRERITAERARQVLSSAPGVEVLDERTGGGYPTALTEAAGRDPVYVGR
IREDISHERGLDLWVVADNVRKGAALNSVQIAELLIGEHI

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