SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_028488727.1 NCBI__GCF_000621325.1:WP_028488727.1 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)

P44801 Aspartate-semialdehyde dehydrogenase; ASA dehydrogenase; ASADH; Aspartate-beta-semialdehyde dehydrogenase; EC 1.2.1.11 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see 2 papers)
70% identity, 99% coverage: 1:369/372 of query aligns to 1:371/371 of P44801

query
sites
P44801

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RGMV 10:13 (= RGMV 10:13) binding NADP(+)
TS 37:38 (= TS 37:38) binding NADP(+)
Q74 (= Q73) binding NADP(+)
R103 (= R101) binding phosphate; mutation to K: 2-fold increase in affinity for ASA, 23-fold decrease in affinity for phosphate, and 275-fold decrease in activity.; mutation to L: 7-fold increase in affinity for ASA, 150-fold decrease in affinity for phosphate, and 1400-fold decrease in activity.
C136 (= C134) active site, Acyl-thioester intermediate
S166 (= S164) binding NADP(+)
E243 (= E240) mutation to D: No change in affinity for ASA and 82-fold decrease in activity.
K246 (= K243) binding phosphate; mutation to R: 2-fold increase in affinity for ASA, nearly no change in affinity for phosphate, and 30-fold decrease in activity.
R270 (= R268) mutation to K: 2-fold decrease in affinity for ASA and 825-fold decrease in activity.
H277 (= H275) active site, Proton acceptor
Q353 (= Q351) binding NADP(+)

1pquA Crystal structure of the h277n mutant of aspartate semialdehyde dehydrogenase from haemophilus influenzae bound with NADP, s-methyl cysteine sulfoxide and cacodylate (see paper)
69% identity, 99% coverage: 1:369/372 of query aligns to 1:371/371 of 1pquA

query
sites
1pquA

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active site: C136 (= C134), Q163 (= Q161), R270 (= R268), N277 (≠ H275)
binding cysteine: C136 (= C134), Q163 (= Q161), G167 (= G165), E243 (= E240), R270 (= R268)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G8), R10 (= R10), G11 (= G11), M12 (= M12), V13 (= V13), T36 (= T36), T37 (= T37), S38 (= S38), C73 (= C72), Q74 (= Q73), A99 (= A97), S166 (= S164), L354 (= L352), A358 (= A356)

1tb4A Crystal structure of aspartate-semialdehyde dehydrogenase from haemophilus influenzae with a bound periodate (see paper)
69% identity, 99% coverage: 1:369/372 of query aligns to 1:357/357 of 1tb4A

query
sites
1tb4A

M

M

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active site: C122 (= C134), Q149 (= Q161), R256 (= R268), H263 (= H275)
binding periodate: R89 (= R101), N121 (= N133), K232 (= K243)

1ta4A Crystal structure of aspartate-semialdehyde dehydrogenase from haemophilus influenzae with a bound arsenate (see paper)
69% identity, 99% coverage: 1:369/372 of query aligns to 1:357/357 of 1ta4A

query
sites
1ta4A

M

M

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K

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E

G

G

L

L

K

K

R

K

G

G

I

I

K

K

N

T

Y

F

I

V

G

G

N
|
N

C
|
C

T

T

V

V

S

S

L

L

M

M

L

L

M

M

A

A

L

I

G

G

L

L

F

F

E

E

K

K

G

D

L

L

V

V

E

E

W

W

I

I

S

S

S

V

M

A

T

T

Y

Y

Q
|
Q

A

A

S

S

G

G

A

A

G

G

A

A

K

K

N

N

M

M

R

R

E

E

L

L

T

S

Q

Q

M

M

G

G

E

L

L

L

N

E

G

Q

E

A

V

V

G

S

D

S

L

E

L

L

A

K

D

D

P

P

A

A

A

S

I

I

L

L

D

D

I

I

D

E

T

R

K

K

V

V

T

T

A

A

K

K

L

M

N

R

D

A

G

D

T

N

L

F

S

P

T

T

A

D

N

N

F

F

G

G

A

A

P

A

L

L

A

G

G

G

S

S

L

L

I

I

P

P

W

W

I

I

D

D

K

K

L

L

W

L

-

P

E

E

N

T

G

G

Q

Q

T

T

K
|
K

E

E

W

W

K
|
K

G

G

I

Y

A

A

E

E

T

T

N

N

K

K

I

I

L

L

G

G

K

-

T

L

A

S

A

D

N

N

I

P

I

I

P

P

V

V

D

D

G

G

Q

L

C

C

V

V

R
|
R

I

I

G

G

A

A

M

L

R

R

C

C

H
|
H

S

S

Q

Q

G

A

F

F

T

T

I

I

K

K

L

L

K

K

Q

K

D

D

L

L

P

P

L

L

A

E

D

E

I

I

E

E

A

Q

I

I

A

A

S

S

H

H

N

N

E

E

W

W

V

V

K

K

V

V

I

I

P

P

N

N

D

D

K

K

A

E

S

I

T

T

L

L

N

R

G

E

L

L

T

T

P

P

V

A

Q

K

A

V

S

T

G

G

T

T

L

L

T

S

V

V

P

P

V

V

G

G

R

R

I

L

R

R

K

K

M

L

N

A

L

M

G

G

P

P

E

E

Y

Y

L

L

T

A

A

A

F

F

T

T

V

V

G

G

D

D

Q

Q

L

L

W

W

G

G

A

A

E

E

P

P

V

V

R

R

M

I

L

L

K

K

I

Q

A

L

L

V

A

A

active site: C122 (= C134), Q149 (= Q161), R256 (= R268), H263 (= H275)
binding arsenate: S86 (= S98), R89 (= R101), N121 (= N133), K228 (= K239), K232 (= K243)

1nx6A Crystal structure of aspartate semialdehyde dehydrogenase from haemophilus influenzae as a tetrahedral hemithiocetal reaction intermediate with phosphate at 2.15 a (see paper)
69% identity, 99% coverage: 1:369/372 of query aligns to 1:357/357 of 1nx6A

query
sites
1nx6A

M

M

L

K

K

N

V

V

G

G

F

F

V

I

G

G

W

W

R

R

G

G

M

M

V

V

G

G

S

S

V

V

L

L

M

M

E

D

R

R

M

M

R

S

A

Q

E

E

N

N

D

D

F

F

Q

E

G

N

F

L

E

N

P

P

V

V

F

F

T

T

S

S

Q

Q

S

A

G

-

K

-

P

-

G

-

P

-

D

-

V

-

G

-

M

-

G

-

A

-

Q

-

P

-

L

L

E

K

D

S

A

A

M

F

N

D

L

I

D

E

K

E

L

L

A

K

E

K

M

L

D

D

I

I

L

V

S

T

C

C

Q

Q

G

G

D

D

Y

Y

T

T

T

N

A

E

V

V

Y

Y

E

P

N

K

L

L

R

K

A

A

N

T

-

G

W

W

N

D

G

G

Y

Y

W

W

I

V

D

D

A

A

S
|
S

T

A

L

L

R
|
R

M

M

A

K

D

D

A

A

I

I

V

V

L

L

D

D

P

P

V

V

N

N

R

Q

A

H

V

V

I

I

D

S

A

E

G

G

L

L

K

K

R

K

G

G

I

I

K

K

N

T

Y

F

I

V

G

G

N
|
N

C
|
C

T

T

V

V

S

S

L

L

M

M

L

L

M

M

A

A

L

I

G

G

L

L

F

F

E

E

K

K

G

D

L

L

V

V

E

E

W

W

I

I

S

S

S

V

M

A

T

T

Y

Y

Q
|
Q

A

A

S

S

G

G

A

A

G

G

A

A

K

K

N

N

M

M

R

R

E

E

L

L

T

S

Q

Q

M

M

G

G

E

L

L

L

N

E

G

Q

E

A

V

V

G

S

D

S

L

E

L

L

A

K

D

D

P

P

A

A

A

S

I

I

L

L

D

D

I

I

D

E

T

R

K

K

V

V

T

T

A

A

K

K

L

M

N

R

D

A

G

D

T

N

L

F

S

P

T

T

A

D

N

N

F

F

G

G

A

A

P

A

L

L

A

G

G

G

S

S

L

L

I

I

P

P

W

W

I

I

D
|
D

K

K

L

L

W

L

-

P

E

E

N

T

G

G

Q

Q

T

T

K
|
K

E

E

W

W

K
|
K

G

G

I

Y

A

A

E

E

T

T

N

N

K

K

I

I

L

L

G

G

K

-

T

L

A

S

A

D

N

N

I

P

I

I

P

P

V

V

D

D

G

G

Q

L

C

C

V

V

R
|
R

I

I

G

G

A

A

M

L

R

R

C

C

H
|
H

S

S

Q

Q

G

A

F

F

T

T

I

I

K

K

L

L

K

K

Q

K

D

D

L

L

P

P

L

L

A

E

D

E

I

I

E

E

A

Q

I

I

A

A

S

S

H

H

N

N

E

E

W

W

V

V

K

K

V

V

I

I

P

P

N

N

D

D

K

K

A

E

S

I

T

T

L

L

N

R

G

E

L

L

T

T

P

P

V

A

Q

K

A

V

S

T

G

G

T

T

L

L

T

S

V

V

P

P

V

V

G

G

R

R

I

L

R

R

K

K

M

L

N

A

L

M

G

G

P

P

E

E

Y

Y

L

L

T

A

A

A

F

F

T

T

V

V

G

G

D

D

Q

Q

L

L

W

W

G

G

A

A

E

E

P

P

V

V

R

R

M

I

L

L

K

K

I

Q

A

L

L

V

A

A

active site: C122 (= C134), Q149 (= Q161), R256 (= R268), H263 (= H275)
binding phosphate ion: S86 (= S98), R89 (= R101), N121 (= N133), C122 (= C134), D218 (= D230), K228 (= K239), K232 (= K243)

1pqpA Crystal structure of the c136s mutant of aspartate semialdehyde dehydrogenase from haemophilus influenzae bound with aspartate semialdehyde and phosphate (see paper)
68% identity, 99% coverage: 1:369/372 of query aligns to 1:357/357 of 1pqpA

query
sites
1pqpA

M

M

L

K

K

N

V

V

G

G

F

F

V

I

G

G

W

W

R

R

G

G

M

M

V

V

G

G

S

S

V

V

L

L

M

M

E

D

R

R

M

M

R

S

A

Q

E

E

N

N

D

D

F

F

Q

E

G

N

F

L

E

N

P

P

V

V

F

F

T

T

S

S

Q

Q

S

A

G

-

K

-

P

-

G

-

P

-

D

-

V

-

G

-

M

-

G

-

A

-

Q

-

P

-

L

L

E

K

D

S

A

A

M

F

N

D

L

I

D

E

K

E

L

L

A

K

E

K

M

L

D

D

I

I

L

V

S

T

C

C

Q

Q

G

G

D

D

Y

Y

T

T

T

N

A

E

V

V

Y

Y

E

P

N

K

L

L

R

K

A

A

N

T

-

G

W

W

N

D

G

G

Y

Y

W

W

I

V

D

D

A

A

S

S

T

A

L

L

R
|
R

M

M

A

K

D

D

A

A

I

I

V

V

L

L

D

D

P

P

V

V

N

N

R

Q

A

H

V

V

I

I

D

S

A

E

G

G

L

L

K

K

R

K

G

G

I

I

K

K

N

T

Y

F

I

V

G

G

N
|
N

C
x
S

T

T

V

V

S

S

L

L

M

M

L

L

M

M

A

A

L

I

G

G

L

L

F

F

E

E

K

K

G

D

L

L

V

V

E

E

W

W

I

I

S

S

S

V

M

A

T

T

Y

Y

Q
|
Q

A

A

S

S

G
|
G

A

A

G

G

A

A

K

K

N

N

M

M

R

R

E

E

L

L

T

S

Q

Q

M

M

G

G

E

L

L

L

N

E

G

Q

E

A

V

V

G

S

D

S

L

E

L

L

A

K

D

D

P

P

A

A

A

S

I

I

L

L

D

D

I

I

D

E

T

R

K

K

V

V

T

T

A

A

K

K

L

M

N

R

D

A

G

D

T

N

L

F

S

P

T

T

A

D

N

N

F

F

G

G

A

A

P

A

L

L

A

G

G

G

S

S

L

L

I

I

P

P

W

W

I

I

D

D

K

K

L

L

W

L

-

P

E

E

N

T

G

G

Q

Q

T

T

K

K

E

E

W

W

K
|
K

G

G

I

Y

A

A

E

E

T

T

N

N

K

K

I

I

L

L

G

G

K

-

T

L

A

S

A

D

N

N

I

P

I

I

P

P

V

V

D

D

G

G

Q

L

C

C

V

V

R
|
R

I

I

G

G

A

A

M

L

R

R

C

C

H
|
H

S

S

Q

Q

G

A

F

F

T

T

I

I

K

K

L

L

K

K

Q

K

D

D

L

L

P

P

L

L

A

E

D

E

I

I

E

E

A

Q

I

I

A

A

S

S

H

H

N

N

E

E

W

W

V

V

K

K

V

V

I

I

P

P

N

N

D

D

K

K

A

E

S

I

T

T

L

L

N

R

G

E

L

L

T

T

P

P

V

A

Q

K

A

V

S

T

G

G

T

T

L

L

T

S

V

V

P

P

V

V

G

G

R

R

I

L

R

R

K

K

M

L

N

A

L

M

G

G

P

P

E

E

Y

Y

L

L

T

A

A

A

F

F

T

T

V

V

G

G

D

D

Q
|
Q

L

L

W

W

G

G

A

A

E

E

P

P

V

V

R

R

M

I

L

L

K

K

I

Q

A

L

L

V

A

A

active site: S122 (≠ C134), Q149 (= Q161), R256 (= R268), H263 (= H275)
binding l-homoserine: S122 (≠ C134), Q149 (= Q161), G153 (= G165), R256 (= R268), H263 (= H275), Q339 (= Q351)
binding phosphate ion: R89 (= R101), N121 (= N133), S122 (≠ C134), K232 (= K243)

5bntC X-ray crystal structure of a aspartate-semialdehyde dehydrogenase bound to NADP from pseudomonas aeruginosa
66% identity, 99% coverage: 1:368/372 of query aligns to 2:369/371 of 5bntC

query
sites
5bntC

M

M

L

K

K

R

V

V

G

G

F

L

V

I

G
|
G

W

W

R
|
R

G
|
G

M
|
M

V
|
V

G

G

S

S

V

V

L

L

M

M

E

Q

R

R

M

M

R

L

A

E

E

E

N

R

D

D

F

F

Q

D

G

L

F

I

E

E

P

P

V

V

F

F

T

T

T
|
T

S
|
S

Q

N

S

V

G

G

K

G

P

Q

G

G

P

P

D

E

V

V

G

G

M

K

G

D

A

I

Q

A

P

P

L

L

E

K

D

D

A

A

M

Y

N

S

L

I

D

D

K

E

L

L

A

K

E

T

M

L

D

D

I

V

I

I

L

L

S

T

C

C

Q
|
Q

G

G

D

D

Y

Y

T

T

T

S

A

E

V

V

Y

F

E

P

N

K

L

L

R

R

-

E

A

A

N

G

W

W

N

Q

G

G

Y

Y

W

W

I

I

D

D

A

A

S

S

T

S

L

L

R

R

M

M

A

E

D

D

A

A

I

V

I

I

V

V

L

L

D

D

P

P

V

V

N

N

R

R

A

K

V

V

I

I

D

D

A

Q

G

A

L

L

K

D

R

A

G

G

I

T

K

R

N

N

Y

Y

I

I

G

G

N

N

C
|
C

T

T

V

V

S

S

L

L

M

M

L

L

M

M

A

A

L

L

G

G

L

L

F

F

E

D

K

A

G

G

L

L

V

V

E

E

W

W

I

M

S

S

S

A

M

M

T

T

Y

Y

Q
|
Q

A

A

S

S

G

G

A

A

G

G

A

A

K

Q

N

N

M

M

R

R

E

E

L

L

T

K

Q

Q

M

M

G

G

E

A

L

A

N

H

G

A

E

S

V

V

G

A

D

D

L

D

L

L

A

A

D

N

P

P

A

A

A

S

A

A

I

I

L

L

D

D

I

I

D

D

T

R

K

K

V

V

T

A

A

E

K

T

L

L

N

R

D

S

G

E

T

A

L

F

S

P

T

T

A

E

N

H

F

F

G

G

A

A

P

P

L

L

A

G

G

G

S

S

L

L

I

I

P

P

W

W

I

I

D

D

K

K

L

E

W

L

E

P

N

N

G

G

Q

Q

T

S

K

R

E

E

W

W

K

K

G

A

I

Q

A

A

E

E

T

T

N

N

K

K

I

I

L

L

G

A

K

R

T

F

A

-

A

K

N

N

I

P

I

I

P

P

V

V

D

D

G

G

Q

I

C

C

V

V

R
|
R

I

V

G

G

A

A

M

M

R

R

C

C

H
|
H

S

S

Q

Q

G

A

F

L

T

T

I

I

K

K

L

L

K

N

Q

K

D

D

L

V

P

P

L

L

A

T

D

D

I

I

E

E

A

G

I

L

I

I

A

S

S

Q

H

H

N

N

E

P

W

W

V

V

K

K

V

L

I

V

P

P

N

N

D

H

K

R

A

E

S

V

T

S

L

V

N

R

G

E

L

L

T

T

P

P

V

A

Q

A

A

V

S

T

G

G

T

T

L

L

T

S

V

V

P

P

V

V

G

G

R

R

I

L

R

R

K

K

M

L

N

N

L

M

G

G

P

S

E

Q

Y

Y

L

L

T

G

A

A

F

F

T

T

V

V

G

G

D

D

Q

Q

L

L

W

W

G

G

A

A

E

E

P

P

V

L

R

R

M

M

L

L

K

R

I

I

A

L

L

L

active site: C136 (= C134), Q163 (= Q161), R269 (= R268), H276 (= H275)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G9 (= G8), R11 (= R10), G12 (= G11), M13 (= M12), V14 (= V13), T38 (= T37), S39 (= S38), Q74 (= Q73)

1gl3A Aspartate beta-semialdehyde dehydrogenase in complex with NADP and substrate analogue s-methyl cysteine sulfoxide (see paper)
63% identity, 98% coverage: 1:365/372 of query aligns to 1:364/367 of 1gl3A

query
sites
1gl3A

M

M

L

K

K

N

V

V

G

G

F

F

V

I

G

G

W

W

R
|
R

G
|
G

M
|
M

V
|
V

G

G

S

S

V

V

L

L

M

M

E

Q

R

R

M

M

R

V

A

E

E

E

N

R

D

D

F

F

Q

D

G

A

F

I

E

R

P

P

V

V

F

F

T

S

T
|
T

S
|
S

Q

Q

S

L

G

G

K

Q

P

A

G

A

P

P

D

S

V

F

G

G

M

G

G

T

A

T

Q

G

P

T

L

L

E

Q

D

D

A

A

M

F

N

D

L

L

D

E

K

A

L

L

A

K

E

A

M

L

D

D

I

I

L

V

S

T

C
|
C

Q
|
Q

G

G

D

D

Y

Y

T

T

T

N

A

E

V

I

Y

Y

E

P

N

K

L

L

R

R

-

E

A

S

N

G

W

W

N

Q

G

G

Y

Y

W

W

I

I

D

D

A

A

A
|
A

S

S

T

S

L

L

R

R

M

M

A

K

D

D

A

A

I

I

V

I

L

L

D

D

P

P

V

V

N

N

R

Q

A

D

V

V

I

I

D

T

A

D

G

G

L

L

K

N

R

N

G

G

I

I

K

R

N

T

Y

F

I

V

G

G

N

N

C
|
C

T

T

V

V

S

S

L

L

M

M

L

L

M

M

A

S

L

L

G

G

L

L

F

F

E

A

K

N

G

D

L

L

V

V

E

D

W

W

I

V

S

S

S

V

M

A

T

T

Y

Y

Q
|
Q

A

A

S
|
S

G
|
G

A

G

G
|
G

A
|
A

K

R

N

H

M

M

R

R

E

E

L

L

T

T

Q

Q

M

M

G

G

E

H

L

L

N

Y

G

G

E

H

V

V

G

A

D

D

L

E

L

L

A

A

D

T

P

P

A

S

A

A

I

I

L

L

D

D

I

I

D

E

T

R

K

K

V

V

T

T

A

T

K

L

L

T

N

R

D

S

G

G

T

E

L

L

S

P

T

V

A

D

N

N

F

F

G

G

A

V

P

P

L

L

A

A

G

G

S

S

L

L

I

I

P

P

W

W

I
|
I

D

D

K

K

L

Q

W

L

E

D

N

N

G

G

Q

Q

T

S

K

R

E
|
E

E

E

W

W

K

K

G

G

I

Q

A

A

E

E

T

T

N

N

K

K

I

I

L

L

G

-

K

-

T

N

A

T

A

S

N

S

I

V

I

I

P

P

V

V

D

D

G

G

Q

L

C

C

V

V

R
|
R

I

V

G

G

A

A

M

L

R

R

C

C

H
|
H

S

S

Q

Q

G

A

F

F

T

T

I

I

K

K

L

L

K

K

Q

K

D

D

L

V

P

S

L

I

A

P

D

T

I

V

E

E

A

E

I

L

A

A

S

A

H

H

N

N

E

P

W

W

V

A

K

K

V

V

I

V

P

P

N

N

D

D

K

R

A

E

S

I

T

T

L

M

N

R

G

E

L

L

T

T

P

P

V

A

Q

A

A

V

S

T

G

G

T

T

L

L

T

T

V

T

P

P

V

V

G

G

R

R

I

L

R

R

K

K

M

L

N

N

L

M

G

G

P

P

E

E

Y

F

L

L

T

S

A

A

F

F

T

T

V

V

G

G

D

D

Q
|
Q

L

L

W

W

G

G

A
|
A

A

A

E

E

P

P

V

L

R

R

M

M

L

L

K

R

active site: C135 (= C134), Q162 (= Q161), R267 (= R268), H274 (= H275)
binding cysteine: C135 (= C134), Q162 (= Q161), I230 (= I229), E241 (= E240), R267 (= R268), H274 (= H275)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: R10 (= R10), G11 (= G11), M12 (= M12), V13 (= V13), T37 (= T37), S38 (= S38), C72 (= C72), Q73 (= Q73), A98 (= A97), C135 (= C134), S165 (= S164), G166 (= G165), G168 (= G167), A169 (= A168), Q350 (= Q351), A355 (= A356)

P0A9Q9 Aspartate-semialdehyde dehydrogenase; ASA dehydrogenase; ASADH; Aspartate-beta-semialdehyde dehydrogenase; EC 1.2.1.11 from Escherichia coli (strain K12) (see 2 papers)
63% identity, 98% coverage: 1:365/372 of query aligns to 1:364/367 of P0A9Q9

query
sites
P0A9Q9

M

M

L

K

K

N

V

V

G

G

F

F

V

I

G

G

W

W

R
|
R

G
|
G

M
|
M

V
|
V

G

G

S

S

V

V

L

L

M

M

E

Q

R

R

M

M

R

V

A

E

E

E

N

R

D

D

F

F

Q

D

G

A

F

I

E

R

P

P

V

V

F

F

T

S

T
|
T

S
|
S

Q

Q

S

L

G

G

K

Q

P

A

G

A

P

P

D

S

V

F

G

G

M

G

G

T

A

T

Q

G

P

T

L

L

E

Q

D

D

A

A

M

F

N

D

L

L

D

E

K

A

L

L

A

K

E

A

M

L

D

D

I

I

L

V

S

T

C

C

Q
|
Q

G

G

D

D

Y

Y

T

T

T

N

A

E

V

I

Y

Y

E

P

N

K

L

L

R

R

-

E

A

S

N

G

W

W

N

Q

G

G

Y

Y

W

W

I

I

D

D

A

A

S

S

T

S

L

L

R

R

M

M

A

K

D

D

A

A

I

I

V

I

L

L

D

D

P

P

V

V

N

N

R

Q

A

D

V

V

I

I

D

T

A

D

G

G

L

L

K

N

R

N

G

G

I

I

K

R

N

T

Y

F

I

V

G

G

N

N

C
|
C

T

T

V

V

S

S

L

L

M

M

L

L

M

M

A

S

L

L

G

G

L

L

F

F

E

A

K

N

G

D

L

L

V

V

E

D

W

W

I

V

S

S

S

V

M

A

T

T

Y

Y

Q

Q

A

A

S
|
S

G
|
G

A
x
G

G
|
G

A
|
A

K

R

N

H

M

M

R
|
R

E

E

L

L

T

T

Q

Q

M

M

G

G

E

H

L

L

N

Y

G

G

E

H

V

V

G

A

D

D

L

E

L

L

A

A

D

T

P
|
P

A

S

A

A

I

I

L

L

D

D

I

I

D

E

T

R

K

K

V

V

T

T

A

T

K

L

L

T

N

R

D

S

G

G

T

E

L

L

S

P

T

V

A

D

N

N

F

F

G

G

A

V

P

P

L

L

A

A

G

G

S

S

L

L

I

I

P

P

W

W

I

I

D

D

K

K

L

Q

W

L

E

D

N

N

G

G

Q

Q

T

S

K

R

E

E

W

W

K

K

G

G

I

Q

A

A

E

E

T

T

N

N

K

K

I

I

L

L

G

-

K

-

T

N

A

T

A

S

N

S

I

V

I

I

P

P

V

V

D

D

G

G

Q

L

C

C

V

V

R

R

I

V

G

G

A

A

M

L

R

R

C

C

H

H

S

S

Q

Q

G

A

F

F

T

T

I

I

K

K

L

L

K

K

Q

K

D

D

L

V

P

S

L

I

A

P

D

T

I

V

E

E

A

E

I

L

A

A

S

A

H

H

N

N

E

P

W

W

V

A

K

K

V

V

I

V

P

P

N

N

D

D

K

R

A

E

S

I

T

T

L

M

N

R

G

E

L

L

T

T

P

P

V

A

Q

A

A

V

S

T

G

G

T

T

L

L

T

T

V

T

P

P

V

V

G

G

R

R

I

L

R

R

K

K

M

L

N

N

L

M

G

G

P

P

E

E

Y

F

L

L

T

S

A

A

F

F

T

T

V

V

G

G

D

D

Q
|
Q

L

L

W

W

G

G

A

A

E

E

P

P

V

L

R

R

M

M

L

L

K

R

RGMV 10:13 (= RGMV 10:13) binding NADP(+)
TS 37:38 (= TS 37:38) binding NADP(+)
Q73 (= Q73) binding NADP(+)
C135 (= C134) active site, Acyl-thioester intermediate; mutation to A: Complete loss of activity.; mutation to S: 99.7% loss of activity.
SGGGA 165:169 (≠ SGAGA 164:168) binding NADP(+)
R173 (= R172) binding NADP(+)
P193 (= P192) binding NADP(+)
Q350 (= Q351) binding NADP(+)

4r5mA Crystal structure of vc-aspartate beta-semialdehyde-dehydrogenase with NADP and 4-nitro-2-phosphono-benzoic acid (see paper)
63% identity, 99% coverage: 2:370/372 of query aligns to 1:369/369 of 4r5mA

query
sites
4r5mA

L

M

K

R

V

V

G

G

F

L

V

V

G
|
G

W

W

R
|
R

G
|
G

M
|
M

V
|
V

G

G

S

S

V

V

L

L

M

M

E

Q

R

R

M

M

R

V

A

E

E

E

N

R

D

D

F

F

Q

D

G

L

F

I

E

E

P

P

V

V

F

F

T

S

T
|
T

S
|
S

Q

Q

S

I

G

G

K

V

P

P

G

A

P

P

D

N

V

F

G

G

M

K

G

D

A

A

Q

G

P

M

L

L

E

H

D

D

A

A

M

F

N

D

L

I

D

E

K

S

L

L

A

K

E

Q

M

L

D

D

I

A

I

V

L

I

S

T

C
|
C

Q
|
Q

G
|
G

D

S

Y

Y

T

T

T

E

A

K

V

V

Y

Y

E

P

N

A

L

L

R

R

-

Q

A

A

N

G

W

W

N

K

G

G

Y

Y

W

W

I

I

D

D

A
|
A

S
|
S

T

T

L

L

R
|
R

M

M

A

D

D

K

D

E

A

A

I

I

V

T

L

L

D

D

P

P

V

V

N

N

R

L

A

K

V

Q

I

I

D

L

A

H

G

G

L

I

K

H

R

H

G

G

I

T

K

K

N

T

Y

F

I

V

G

G

N

N

C
|
C

T

T

V

V

S

S

L

L

M

M

L

L

M

M

A

A

L

L

G

G

L

L

F

Y

E

E

K

R

G

G

L

L

V

V

E

E

W

W

I

M

S

S

S

A

M

M

T

T

Y

Y

Q
|
Q

A

A

S

S

G
|
G

A

A

G

G

A

A

K

Q

N

N

M

M

R

R

E

E

L

L

L

I

T

S

Q

Q

M

M

G

G

E

V

L

I

N

N

G

D

E

A

V

V

G

S

D

S

L

E

L

L

A

A

D

N

P

P

A

A

A

S

I

I

L

L

D

D

I

I

D

D

T

K

K

K

V

V

T

A

A

E

K

T

L

M

N

R

D

S

G

G

T

S

L

F

S

P

T

T

A

D

N

N

F

F

G

G

A

V

P

P

L

L

A

A

G

G

S

S

L

L

I

I

P

P

W

W

I

I

D

D

K

V

L

K

W

R

E

D

N

N

G

G

Q

Q

T

S

K

K

E

E

W

W

K
|
K

G

A

I

G

A

V

E

E

T

A

N

N

K

K

I

I

L

L

G

G

K

L

T

Q

A

D

A

S

N

P

I

-

I

V

P

P

V

I

D

D

G

G

Q

T

C

C

V

V

R
|
R

I

I

G

G

A

A

M

M

R

R

C

C

H
|
H

S

S

Q

Q

G

A

F

L

T

T

I

I

K

K

L

L

K

K

Q

Q

D

N

L

I

P

P

L

L

A

D

D

E

I

I

E

E

A

E

I

M

I

I

A

A

S

T

H

H

N

N

E

D

W

W

V

V

K

K

V

V

I

I

P

P

N

N

D

E

K

R

A

D

S

I

T

T

L

A

N

R

G

E

L

L

T

T

P

P

V

A

Q

K

A

V

S

T

G

G

T

T

L

L

T

S

V

V

P

P

V

V

G

G

R

R

I

L

R

R

K

K

M

M

N

A

L

M

G

G

P

D

E

D

Y

F

L

L

T

N

A

A

F

F

T

T

V

V

G

G

D

D

Q

Q

L

L

W

W

G

G

A

A

E

E

P

P

V

L

R

R

M

T

L

L

K

R

I

I

A

I

L

L

A

A

H

E

active site: C134 (= C134), Q161 (= Q161), R267 (= R268), H274 (= H275)
binding 4-nitro-2-phosphonobenzoic acid: C71 (= C72), G73 (= G74), G74 (= G75), A96 (= A96), A97 (= A97), S98 (= S98), R101 (= R101), K243 (= K243)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G7 (= G8), R9 (= R10), G10 (= G11), M11 (= M12), V12 (= V13), T36 (= T37), S37 (= S38), Q72 (= Q73), G73 (= G74), G165 (= G165)

1mb4A Crystal structure of aspartate semialdehyde dehydrogenase from vibrio cholerae with NADP and s-methyl-l-cysteine sulfoxide (see paper)
63% identity, 99% coverage: 2:370/372 of query aligns to 1:369/369 of 1mb4A

query
sites
1mb4A

L

M

K

R

V

V

G

G

F

L

V

V

G
|
G

W

W

R
|
R

G
|
G

M
|
M

V
|
V

G

G

S

S

V

V

L

L

M

M

E

Q

R

R

M

M

R

V

A

E

E

E

N

R

D

D

F

F

Q

D

G

L

F

I

E

E

P

P

V

V

F

F

T

S

T
|
T

S
|
S

Q

Q

S

I

G

G

K

V

P

P

G

A

P

P

D

N

V

F

G

G

M

K

G

D

A

A

Q

G

P

M

L

L

E

H

D

D

A

A

M

F

N

D

L

I

D

E

K

S

L

L

A

K

E

Q

M

L

D

D

I

A

I

V

L

I

S

T

C
|
C

Q
|
Q

G
|
G

G

G

D

S

Y

Y

T

T

T

E

A

K

V

V

Y

Y

E

P

N

A

L

L

R

R

-

Q

A

A

N

G

W

W

N

K

G

G

Y

Y

W

W

I

I

D

D

A

A

A
|
A

S

S

T

T

L

L

R

R

M

M

A

D

D

K

D

E

A

A

I

I

V

T

L

L

D

D

P

P

V

V

N

N

R

L

A

K

V

Q

I

I

D

L

A

H

G

G

L

I

K

H

R

H

G

G

I

T

K

K

N

T

Y

F

I

V

G

G

N
|
N

C
|
C

T

T

V

V

S

S

L

L

M

M

L

L

M

M

A

A

L

L

G

G

L

L

F

Y

E

E

K

R

G

G

L

L

V

V

E

E

W

W

I

M

S

S

S

A

M

M

T

T

Y

Y

Q
|
Q

A

A

S
|
S

G
|
G

A

A

G

G

A

A

K

Q

N

N

M

M

R

R

E

E

L

L

L

I

T

S

Q

Q

M

M

G

G

E

V

L

I

N

N

G

D

E

A

V

V

G

S

D

S

L

E

L

L

A

A

D

N

P

P

A

A

A

S

I

I

L

L

D

D

I

I

D

D

T

K

K

K

V

V

T

A

A

E

K

T

L

M

N

R

D

S

G

G

T

S

L

F

S

P

T

T

A

D

N

N

F

F

G

G

A

V

P

P

L

L

A

A

G

G

S

S

L

L

I

I

P

P

W

W

I

I

D

D

K

V

L

K

W

R

E

D

N

N

G

G

Q

Q

T

S

K

K

E
|
E

E

E

W

W

K

K

G

A

I

G

A

V

E

E

T

A

N

N

K

K

I

I

L

L

G

G

K

L

T

Q

A

D

A

S

N

P

I

-

I

V

P

P

V

I

D

D

G

G

Q

T

C

C

V

V

R
|
R

I

I

G

G

A

A

M

M

R

R

C

C

H
|
H

S

S

Q

Q

G

A

F

L

T

T

I

I

K

K

L

L

K

K

Q

Q

D

N

L

I

P

P

L

L

A

D

D

E

I

I

E

E

A

E

I

M

I

I

A

A

S

T

H

H

N

N

E

D

W

W

V

V

K

K

V

V

I

I

P

P

N

N

D

E

K

R

A

D

S

I

T

T

L

A

N

R

G

E

L

L

T

T

P

P

V

A

Q

K

A

V

S

T

G

G

T

T

L

L

T

S

V

V

P

P

V

V

G

G

R

R

I

L

R

R

K

K

M

M

N

A

L

M

G

G

P

D

E

D

Y

F

L

L

T

N

A

A

F

F

T

T

V

V

G

G

D

D

Q
|
Q

L
|
L

L

L

W

W

G

G

A
|
A

A

A

E

E

P

P

V

L

R

R

M

T

L

L

K

R

I

I

A

I

L

L

A

A

H

E

active site: C134 (= C134), Q161 (= Q161), R267 (= R268), H274 (= H275)
binding cysteine: N133 (= N133), C134 (= C134), G165 (= G165), E240 (= E240), R267 (= R268), H274 (= H275)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G7 (= G8), R9 (= R10), G10 (= G11), M11 (= M12), V12 (= V13), T36 (= T37), S37 (= S38), C71 (= C72), Q72 (= Q73), G73 (= G74), A97 (= A97), S164 (= S164), Q350 (= Q351), L351 (= L352), A355 (= A356)

3pzrA Crystals structure of aspartate beta-semialdehyde dehydrogenase from vibrio cholerae with NADP and product of s-carbamoyl-l-cysteine (see paper)
63% identity, 99% coverage: 2:370/372 of query aligns to 1:369/370 of 3pzrA

query
sites
3pzrA

L

M

K

R

V

V

G

G

F

L

V

V

G
|
G

W

W

R
|
R

G
|
G

M
|
M

V
|
V

G

G

S

S

V

V

L

L

M

M

E

Q

R

R

M

M

R

V

A

E

E

E

N

R

D

D

F

F

Q

D

G

L

F

I

E

E

P

P

V

V

F

F

T
x
S

T
|
T

S
|
S

Q

Q

S

I

G

G

K

V

P

P

G

A

P

P

D

N

V

F

G

G

M

K

G

D

A

A

Q

G

P

M

L

L

E

H

D

D

A

A

M

F

N

D

L

I

D

E

K

S

L

L

A

K

E

Q

M

L

D

D

I

A

I

V

L

I

S

T

C

C

Q

Q

G

G

D

S

Y

Y

T

T

T

E

A

K

V

V

Y

Y

E

P

N

A

L

L

R

R

-

Q

A

A

N

G

W

W

N

K

G

G

Y

Y

W

W

I

I

D

D

A

A

S

S

T

T

L

L

R

R

M

M

A

D

D

K

D

E

A

A

I

I

V

T

L

L

D

D

P

P

V

V

N

N

R

L

A

K

V

Q

I

I

D

L

A

H

G

G

L

I

K

H

R

H

G

G

I

T

K

K

N

T

Y

F

I

V

G

G

N

N

C
|
C

T

T

V

V

S

S

L

L

M

M

L

L

M

M

A

A

L

L

G

G

L

L

F

Y

E

E

K

R

G

G

L

L

V

V

E

E

W

W

I

M

S

S

S

A

M

M

T

T

Y

Y

Q
|
Q

A

A

S

S

G
|
G

A

A

G

G

A

A

K

Q

N

N

M

M

R

R

E

E

L

L

L

I

T

S

Q

Q

M

M

G

G

E

V

L

I

N

N

G

D

E

A

V

V

G

S

D

S

L

E

L

L

A

A

D

N

P

P

A

A

A

S

I

I

L

L

D

D

I

I

D

D

T

K

K

K

V

V

T

A

A

E

K

T

L

M

N

R

D

S

G

G

T

S

L

F

S

P

T

T

A

D

N

N

F

F

G

G

A

V

P

P

L

L

A

A

G

G

S

S

L

L

I

I

P

P

W

W

I

I

D

D

K

V

L

K

W

R

E

D

N

N

G

G

Q

Q

T

S

K

K

E
|
E

E

E

W

W

K

K

G

A

I

G

A

V

E

E

T

A

N

N

K

K

I

I

L

L

G

G

K

L

T

Q

A

D

A

S

N

P

I

-

I

V

P

P

V

I

D

D

G

G

Q

T

C

C

V

V

R
|
R

I

I

G

G

A

A

M

M

R

R

C

C

H
|
H

S

S

Q

Q

G

A

F

L

T

T

I

I

K

K

L

L

K

K

Q

Q

D

N

L

I

P

P

L

L

A

D

D

E

I

I

E

E

A

E

I

M

I

I

A

A

S

T

H

H

N

N

E

D

W

W

V

V

K

K

V

V

I

I

P

P

N

N

D

E

K

R

A

D

S

I

T

T

L

A

N

R

G

E

L

L

T

T

P

P

V

A

Q

K

A

V

S

T

G

G

T

T

L

L

T

S

V

V

P

P

V

V

G

G

R

R

I

L

R

R

K

K

M

M

N

A

L

M

G

G

P

D

E

D