SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_028310610.1 NCBI__GCF_000482785.1:WP_028310610.1 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)

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
54% identity, 98% coverage: 5:279/282 of query aligns to 2:274/278 of Q9KVT3

query
sites
Q9KVT3

A

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S

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S

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I

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Y

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F

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SKS 18:20 (≠ SRS 21:23) binding shikimate
N90 (= N93) binding shikimate
D106 (= D109) binding shikimate
NRTFAK 154:159 (≠ NRTEPK 158:163) binding NADP(+)
Q248 (= Q253) binding shikimate

3pgjA 2.49 angstrom resolution crystal structure of shikimate 5- dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate
54% identity, 96% coverage: 9:279/282 of query aligns to 2:270/272 of 3pgjA

query
sites
3pgjA

D

D

R

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Y

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A

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G

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binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S21), S16 (= S23), N59 (= N66), T61 (= T68), K65 (= K72), N86 (= N93), D102 (= D109), Q244 (= Q253)

3sefA 2.4 angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate and NADPH
54% identity, 96% coverage: 9:279/282 of query aligns to 2:266/268 of 3sefA

query
sites
3sefA

D

D

R

Q

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Y

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binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G136), A126 (= A138), N146 (= N158), R147 (= R159), T148 (= T160), S183 (≠ A196), T184 (= T197), S185 (= S198), A186 (≠ T199), M210 (= M223)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
50% identity, 97% coverage: 9:281/282 of query aligns to 2:272/272 of P15770

query
sites
P15770

D

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x
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x
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GAGGA 126:130 (= GAGGA 134:138) binding NADP(+)
NRTVSR 149:154 (≠ NRTEPK 158:163) binding NADP(+)
M213 (= M222) binding NADP(+)
G237 (= G246) binding NADP(+)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
49% identity, 96% coverage: 9:280/282 of query aligns to 2:271/271 of 1nytA

query
sites
1nytA

D

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V

V

T

I

I

A

T

N
|
N

R
|
R

T
|
T

E

V

P

S

K
x
R

A

A

E

E

L

L

A

A

Q

K

S

-

A

L

R

F

A

A

A

H

A

T

T

G

R

S

V

I

T

Q

A

A

A

L

G

S

F

M

A

D

G

E

L

L

A

E

G

G

R

H

-

E

F

F

D

D

V

L

V

I

I

I

N

N

A

A

T
|
T

S
|
S

T
x
S

S

G

L

I

D

S

G

G

D

D

L

I

P

P

P

A

I

I

A

P

D

S

A

S

L

L

L

I

K

H

D

P

A

G

G

I

F

Y

V

C

Y

Y

D

D

M
|
M

M

F

Y

Y

G

Q

A

K

K

G

P

K

T

T

S

P

F

F

L

L

A

A

H

W

A

C

A

E

I

Q

C

R

G

G

C

S

A

K

G

R

L

N

A

A

D

D

G
|
G

L

L

G

G

M
|
M

L
|
L

V

V

E

A

Q

Q

A

A

E

H

S

A

F

F

F

L

D

L

W

W

R

H

G

G

V

V

R

L

P

P

T

D

T

V

G

E

A

P

V

V

I

I

A

K

A

Q

I

L

R

Q

A

E

E

E

L

L

A

S

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K72), D102 (= D109), G128 (= G136), G129 (= G137), A130 (= A138), N149 (= N158), R150 (= R159), T151 (= T160), R154 (≠ K163), T188 (= T197), S189 (= S198), S190 (≠ T199), M213 (= M222), G237 (= G246), M240 (= M249), L241 (= L250)

3sefC 2.4 angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate and NADPH
50% identity, 96% coverage: 9:279/282 of query aligns to 2:243/244 of 3sefC

query
sites
3sefC

D

D

R

Q

Y

Y

A

A

V

V

V

F

G

G

N

N

P

P

I

I

A

N

H

H

S
|
S

R

K

S
|
S

P

P

Q

F

I

I

H

H

A

T

R

L

F

F

A

A

A

R

E

Q

T

T

G

Q

E

Q

H

S

V

M

A

I

Y

Y

D

T

R

A

I

Q

L

C

A

V

P

P

L

V

D

D

G

G

F

F

T

T

V

E

T

A

A

A

R

K

D

H

F

F

A

A

G

Q

G

G

R

R

G

G

L

C

N

N

V

V

T

T

V

V

P

P

F

F

K
|
K

L

E

E

E

A

A

F

Y

E

R

L

F

A

A

D

D

Q

R

L

L

T

T

E

E

R

R

A

A

A

R

H

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

W

K

I

K

D

D

A

-

A

D

G

G

R

E

I

I

H

L

G

G

D

D

N

N

T

T

D
|
D

G

G

I

E

G

G

I

L

V

V

R

Q

D

D

L

L

R

L

D

A

N

Q

L

-

G

Q

V

V

K

L

L

L

A

K

G

G

A

A

R

T

V

I

L

L

L

I

G

G

A

A

G

G

A

A

R

R

G

G

A

V

L

L

L

K

P

P

L

L

V

L

D

D

A

Q

G

Q

P

P

A

A

E

S

I

I

V

T

I

V

A

T

N

N

R

R

T

T

E

F

P

A

K

K

A

A

E

E

E

Q

L

L

A

A

Q

E

S

L

A

V

R

-

A

A

A

Y

T

G

R

E

V

V

T

K

A

A

A

Q

G

A

F

F

A

E

G

Q

L

L

A

K

G

Q

R

S

F

Y

D

D

V

V

V

I

I

I

N

N

A

S

T

T

S

S

T

A

S

-

L

-

D

-

G

-

D

-

L

-

P

-

I

I

A

D

D

P

A

V

L

I

L

F

K

S

D

S

A

R

G

S

F

V

V

C

Y

Y

D

D

M

M

Y

Y

G

G

A

-

K

-

P

-

T

-

S

-

F

-

L

-

A

-

H

-

A

-

I

-

C

-

G

-

C

-

A

-

G

-

L

-

A

I

D

D

G

G

L

L

G

G

M

M

L

L

V

V

E

G

Q
|
Q

A

A

E

E

S

S

F

F

F

M

D

L

W

W

R

R

G

G

V

L

R

R

P

P

T

G

T

T

G

K

A

Q

V

I

I

L

A

R

A

E

I

L

R

R

A

K

E

N

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S21), S16 (= S23), K65 (= K72), D101 (= D109), Q217 (= Q253)

P43876 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
42% identity, 95% coverage: 9:276/282 of query aligns to 2:268/272 of P43876

query
sites
P43876

D

D

R

L

Y

Y

A

A

V

V

V

W

G

G

N

N

P

P

I

I

A

A

H

Q

S

S

R

K

S

S

P

P

Q

L

I

I

H

Q

A

N

R

K

F

L

A

A

E

Q

T

T

G

H

E

Q

H

T

V

M

A

E

Y

Y

D

I

R

A

I

K

L

L

A

G

P

D

L

L

D

D

G

A

F

F

T

E

V

Q

T

Q

A

L

R

L

D

A

F

F

A

E

G

E

G

G

G

A

R

K

G

G

L

C

N

N

V

I

T

T

V

S

P

P

F

F

K

K

L

E

E

R

A

A

F

Y

E

Q

L

L

A

A

D

D

Q

E

L

Y

T

S

E

Q

R

R

A

A

A

K

H

L

A

A

G

E

A

A

V

C

N

N

T

T

L

L

W

K

I

K

D

L

A

D

G

G

R

K

I

L

H

Y

G

A

D

D

N

N

T

T

D

D

G

G

I

I

G

G

I

L

V

V

R

T

D

D

L

L

R

Q

D

-

N

R

L

L

G

N

V

W

K

L

L

R

A

P

G

N

A

Q

R

H

V

V

L

L

L

I

L

L

G
|
G

A
|
A

G
|
G

A
|
A

A

T

R

K

G

G

A

V

L

L

P

P

L

L

V

L

D

Q

A

A

G

-

P

Q

A

Q

E

N

I

I

V

V

I

L

A

A

N
|
N

R
|
R

T
|
T

E
x
F

P
x
S

K
|
K

A

T

E

K

E

E

L

L

A

A

Q

E

S

R

A

F

R

Q

A

P

A

Y

A

G

T

N

R

I

V

Q

T

A

A

V

A

S

G

M

F

D

A

S

G

I

L

P

A

L

G

Q

R

T

F

Y

D

D

V

L

V

V

I

I

N

N

A

A

T

T

S
|
S

T

A

S

G

L

L

D

S

G

G

D

G

L

T

P

A

P

S

I

V

A

D

D

A

A

E

L

I

L

L

K

K

D

L

A

G

G

S

F

A

V

F

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

A

K

-

G

K

T

P

D

T

T

S

P

F

F

L

I

A

A

H

L

A

C

A

K

I

S

C

L

G

G

C

L

A

T

G

N

L

V

A

S

D

D

G

G

L

F

G

G

M

M

L

L

V

V

E

A

Q

Q

A

A

E

H

S

S

F

F

F

H

D

L

W

W

R

R

G

G

V

V

R

M

P

P

T

D

T

F

G

V

A

S

V

V

I

Y

A

E

A

Q

I

L

R

K

GAGGA 126:130 (= GAGGA 134:138) binding NADP(+)
NRTFSK 149:154 (≠ NRTEPK 158:163) binding NADP(+)
S189 (= S198) binding NADP(+)

1p77A Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae (see paper)
42% identity, 95% coverage: 9:276/282 of query aligns to 2:261/265 of 1p77A

query
sites
1p77A

D

D

R

L

Y

Y

A

A

V

V

V

W

G

G

N

N

P

P

I

I

A

A

H

Q

S

S

R

K

S

S

P

P

Q

L

I

I

H

Q

A

N

R

K

F

L

A

A

E

Q

T

T

G

H

E

Q

H

T

V

M

A

E

Y

Y

D

I

R

A

I

K

L

L

A

G

P

D

L

L

D

D

G

A

F

F

T

E

V

Q

T

Q

A

L

R

L

D

A

F

F

A

E

G

E

G

G

G

A

R

K

G

G

L

C

N

N

V

I

T

T

V

S

P

P

F

F

K

K

L

E

E

R

A

A

F

Y

E

Q

L

L

A

A

D

D

Q

E

L

Y

T

S

E

Q

R

R

A

A

A

K

H

L

A

A

G

E

A

A

V

C

N

N

T

T

L

L

W

K

I

K

D

L

A

D

G

G

R

K

I

L

H

Y

G

A

D

D

N

N

T

T

D

D

G

G

I

I

G

G

I

L

V

V

R

T

D

D

L

L

R

Q

D

-

N

R

L

L

G

N

V

W

K

L

L

R

A

P

G

N

A

Q

R

H

V

V

L

L

L

I

L

L

G
|
G

A

A

G
|
G

A
|
A

A

T

R

K

G

G

A

V

L

L

P

P

L

L

V

L

D

Q

A

A

G

-

P

Q

A

Q

E

N

I

I

V

V

I

L

A

A

N
|
N

R
|
R

T
|
T

E

F

P

S

K
|
K

A

T

E

K

E

E

L

L

A

A

Q

E

S

R

A

F

R

Q

A

P

A

Y

A

G

T

N

R

I

V

Q

T

A

A

V

A

S

G

M

F

D

A

S

G

I

L

P

A

L

G

Q

R

T

F

Y

D

D

V

L

V

V

I

I

N

N

A

A

T
|
T

S
|
S

T
x
A

S

S

L

V

D

D

G

A

D

E

L

I

P

L

P

K

I

L

A

G

D

S

A

A

L

F

L

-

K

-

D

-

A

-

G

-

F

-

V

-

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

A

K

-

G

K

T

P

D

T

T

S

P

F

F

L

I

A

A

H

L

A

C

A

K

I

S

C

L

G

G

C

L

A

T

G

N

L

V

A

S

D

D

G

G

L

F

G

G

M

M

L

L

V

V

E

A

Q

Q

A

A

E

H

S

S

F

F

F

H

D

L

W

W

R

R

G

G

V

V

R

M

P

P

T

D

T

F

G

V

A

S

V

V

I

Y

A

E

A

Q

I

L

R

K

binding 2'-monophosphoadenosine-5'-diphosphate: G126 (= G134), G128 (= G136), G129 (= G137), A130 (= A138), N149 (= N158), R150 (= R159), T151 (= T160), K154 (= K163), T188 (= T197), S189 (= S198), A190 (≠ T199)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
32% identity, 96% coverage: 10:279/282 of query aligns to 2:269/269 of Q5HNV1

query
sites
Q5HNV1

R

K

Y

F

A

A

V

V

V

I

G

G

N

N

P

P

I

I

A

S

H

H

S
|
S

R
x
L

S
|
S

P

P

Q

L

I

M

H

H

-

H

A

A

R

N

F

F

A

Q

A

S

E

L

T

N

G

L

E

E

H

N

V

-

A

T

Y

Y

D

E

R

A

I

I

L

N

A

V

P

P

L

V

D

N

G

Q

F

F

T

Q

V

D

T

I

A

K

R

K

D

I

F

I

F

S

A

E

G

K

G

S

G

I

R

D

G

G

L

F

N

N

V

V

T
|
T

V

I

P

P

F

H

K

K

L

E

E

R

A

I

F

I

E

P

L

Y

A

L

D

D

Q

D

L

I

T

N

E

E

R

Q

A

A

A

K

H

S

A

V

G

G

A

A

V

V

N
|
N

T

T

L

V

W

L

I

V

D

-

A

K

A

D

G

G

R

K

I

W

H

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

I

Y

V

V

R

N

D

G

L

L

R

K

D

Q

N

-

L

I

G

Y

V

E

K

G

L

I

A

E

G

D

A

A

R

Y

V

I

L

L

L

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

A

I

L

A

L

N

P

E

L

L

V

Y

D

K

A

I

G

V

P

R

A

P

E

T

I

L

V

T

I

V

A

A

N

N

R

R

T

T

E

M

P

S

K

R

A

F

E

N

L

W

A

S

Q

L

S

N

A

-

R

-

A

-

A

I

T

N

R

K

V

I

T

N

A

L

A

S

G

H

F

A

A

E

G

S

L

H

A

L

G

D

R

E

F

F

D

D

V

I

I

I

N

N

A

T

T

T

S

P

T

A

S

G

L

M

D

N

G

G

D

N

L

T

P

D

P

S

-

V

I

I

A

S

D

L

A

N

L

R

L

L

K

A

D

S

A

H

G

T

F

L

V

V

Y

S

D

D

M

I

M

V

Y
|
Y

G

N

A

P

K

Y

P

K

T

T

S

P

F

I

L

L

A

I

H

E

A

A

A

E

I

Q

C

R

G

G

C

N

A

P

G

-

L

I

A

Y

D

N

G

G

L

L

G

D

M

M

L

F

V

V

E

H

Q
|
Q

A

G

A

A

E

E

S

S

F

F

F

K

D

I

W

W

R

T

G

N

V

L

R

E

P

P

T

D

T

I

G

K

A

A

-

M

-

K

-

N

-

I

V

V

I

I

A

Q

A

K

I

L

R

K

A

G

E

E

L

L

SLS 13:15 (≠ SRS 21:23) binding shikimate
T60 (= T68) binding shikimate
N85 (= N93) binding shikimate
D100 (= D109) binding shikimate
Y211 (= Y224) Plays a major role in the catalytic process and a minor role in the substrate binding; mutation to F: Leads to a 345-fold decrease in the catalytic efficiency and a 3-fold decrease in the affinity binding for shikimate.
Q239 (= Q253) binding shikimate

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
35% identity, 90% coverage: 11:263/282 of query aligns to 9:252/269 of 2hk9A

query
sites
2hk9A

Y

Y

A

G

V

V

V

I

G

G

N

F

P

P

I

V

A

K

H

H

S
|
S

R

L

S
|
S

P

P

Q

V

I

F

H

Q

-

N

-

A

-

L

A

I

R

R

F

Y

A

A

A

G

E

L

T

N

G

A

E

V

H

Y

V

L

A

A

Y

F

D

E

R

-

I

-

L

I

A

N

P

P

L

-

D

E

G

E

F

L

T

K

V

K

T

A

A

F

R

E

D

G

F

F

F

K

A

A

G

L

G

K

G

V

R

K

G

G

L

I

N
|
N

V

V

T

T

V
|
V

P

P

F

F

K
|
K

L

E

E

E

A

I

F

I

E

P

L

L

A

L

D

D

Q

Y

L

V

T

E

E

D

R

T

A

A

A

K

H

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

W

K

I

F

D

E

A

-

A

N

G

G

R

K

I

A

H

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

I

F

V

L

R

K

D

S

L

L

R

K

D

-

N

S

L

L

G

I

V

P

K

E

L

V

A

K

G

E

A

K

R

S

V

I

L

L

L

V

L

L

G

G

A

A

G
|
G

A
|
A

A

S

R

R

G

A

A

V

L

I

L

Y

P

A

L

L

V

V

D

K

A

E

G

G

P

-

A

A

E

K

I

V

V

F

I

L

A

W

N
|
N

R
|
R

T
|
T

E

K

P

E

K

K

A

A

E

I

E

K

L

L

A

A

Q

Q

S

K

A

F

R

P

A

L

A

E

A

V

T

V

R

N

V

S

T

P

A

E

G

-

F

-

A

-

G

-

L

V

A

I

G

D

R

K

F

V

D

Q

V

V

V

I

I

V

N

N

A

T

T
|
T

S
|
S

T
x
V

S

G

L

L

D

K

G

D

D

E

L

D

P

P

P

E

I

I

A

F

D

N

A

Y

-

D

L

L

L

I

K

K

D

K

A

D

G

H

F

V

V

V

Y

V

D

D

M

I

Y
|
Y

G

-

A

-

K

K

P

E

T

T

S

K

F

L

L

L

A

K

H

K

A

A

A

K

I

E

C

K

G

G

C

-

A

A

G

K

L

L

A

L

D

D

G

G

L

L

G

P

M

M

L
|
L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

F

K

D

I

W

W

R

N

G

G

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V69), G132 (= G136), G133 (= G137), A134 (= A138), N153 (= N158), R154 (= R159), T155 (= T160), T188 (= T197), S189 (= S198), V190 (≠ T199)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S21), S21 (= S23), N64 (= N66), K70 (= K72), N91 (= N93), D106 (= D109), Y216 (= Y224), L239 (= L250), Q242 (= Q253)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
35% identity, 90% coverage: 11:263/282 of query aligns to 9:252/267 of 2hk9B

query
sites
2hk9B

Y

Y

A

G

V

V

V

I

G

G

N

F

P

P

I

V

A

K

H

H

S
|
S

R

L

S
|
S

P

P

Q

V

I

F

H

Q

-

N

-

A

-

L

A

I

R

R

F

Y

A

A

A

G

E

L

T

N

G

A

E

V

H

Y

V

L

A

A

Y

F

D

E

R

-

I

-

L

I

A

N

P

P

L

-

D

E

G

E

F

L

T

K

V

K

T

A

A

F

R

E

D

G

F

F

F

K

A

A

G

L

G

K

G

V

R

K

G

G

L

I

N
|
N

V

V

T
|
T

V
|
V

P

P

F

F

K
|
K

L

E

E

E

A

I

F

I

E

P

L

L

A

L

D

D

Q

Y

L

V

T

E

E

D

R

T

A

A

A

K

H

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

W

K

I

F

D

E

A

-

A

N

G

G

R

K

I

A

H

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

I

F

V

L

R

K

D

S

L

L

R

K

D

-

N

S

L

L

G

I

V

P

K

E

L

V

A

K

G

E

A

K

R

S

V

I

L

L

L

V

L

L

G
|
G

A

A

G

G

G
|
G

A
|
A

A

S

R

R

G

A

A

V

L

I

L

Y

P

A

L

L

V

V

D

K

A

E

G

G

P

-

A

A

E

K

I

V

V

F

I

L

A

W

N
|
N

R
|
R

T
|
T

E

K

P

E

K
|
K

A

A

E

I

E

K

L

L

A

A

Q

Q

S

K

A

F

R

P

A

L

A

E

A

V

T

V

R

N

V

S

T

P

A

E

G

-

F

-

A

-

G

-

L

V

A

I

G

D

R

K

F

V

D

Q

V

V

V

I

I

V

N

N

A

T

T
|
T

S
|
S

T
x
V

S

G

L

L

D

K

G

D

D

E

L

D

P

P

P

E

I

I

A

F

D

N

A

Y

-

D

L

L

L

I

K

K

D

K

A

D

G

H

F

V

V

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

G

-

A

-

K

K

P

E

T

T

S

K

F

L

L

L

A

K

H

K

A

A

A

K

I

E

C

K

G

G

C

-

A

A

G

K

L

L

A

L

D

D

G

G

L

L

G

P

M
|
M

L
|
L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

F

K

D

I

W

W

R

N

G

G

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V69), G130 (= G134), G133 (= G137), A134 (= A138), N153 (= N158), R154 (= R159), T155 (= T160), K158 (= K163), T188 (= T197), S189 (= S198), V190 (≠ T199), I214 (≠ M222), M238 (= M249), L239 (= L250)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S21), S21 (= S23), N64 (= N66), T66 (= T68), K70 (= K72), N91 (= N93), D106 (= D109), Y216 (= Y224), L239 (= L250), Q242 (= Q253)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
35% identity, 90% coverage: 11:263/282 of query aligns to 9:252/269 of O67049

query
sites
O67049

Y

Y

A

G

V

V

V

I

G

G

N

F

P

P

I

V

A

K

H

H

S
|
S

R
x
L

S
|
S

P

P

Q

V

I

F

H

Q

-

N

-

A

-

L

A

I

R

R

F

Y

A

A

A

G

E

L

T

N

G

A

E

V

H

Y

V

L

A

A

Y

F

D

E

R

-

I

-

L

I

A

N

P

P

L

-

D

E

G

E

F

L

T

K

V

K

T

A

A

F

R

E

D

G

F

F

F

K

A

A

G

L

G

K

G

V

R

K

G

G

L

I

N

N

V

V

T

T

V

V

P

P

F

F

K

K

L

E

E

E

A

I

F

I

E

P

L

L

A

L

D

D

Q

Y

L

V

T

E

E
x
D

R

T

A

A

A

K

H

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

W

K

I

F

D

E

A

-

A

N

G

G

R

K

I

A

H

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

I

I

G

G

I

F

V

L

R

K

D

S

L

L

R

K

D

-

N

S

L

L

G

I

V

P

K

E

L

V

A

K

G

E

A

K

R

S

V

I

L

L

L

V

L

L

G
|
G

A
|
A

G
|
G

A
|
A

A

S

R

R

G

A

A

V

L

I

L

Y

P

A

L

L

V

V

D

K

A

E

G

G

P

-

A

A

E

K

I

V

V

F

I

L

A

W

N

N

R

R

T

T

E

K

P

E

K

K

A

A

E

I

E

K

L

L

A

A

Q

Q

S

K

A

F

R

P

A

L

A

E

A

V

T

V

R

N

V

S

T

P

A

E

G

-

F

-

A

-

G

-

L

V

A

I

G

D

R

K

F

V

D

Q

V

V

V

I

I

V

N

N

A

T

T

T

S

S

T

V

S

G

L

L

D

K

G

D

D

K

L

D

P

P

P

E

I

I

A

F

D

N

A

Y

-

D

L

L

L

I

K

K

D

K

A

D

G

H

F

V

V

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

G

-

A

-

K

K

P

E

T

T

S

K

F

L

L

L

A

K

H

K

A

A

A

K

I

E

C

K

G

G

C

-

A

A

G

K

L

L

A

F

D

D

G
|
G

L

L

G

P

M

M

L

L

V

L

E

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

F

K

D

I

W

W

R

N

G

G

SLS 19:21 (≠ SRS 21:23) binding shikimate
D82 (≠ E84) binding NADP(+)
N91 (= N93) binding shikimate
D106 (= D109) binding shikimate
GAGGA 130:134 (= GAGGA 134:138) binding NADP(+)
I214 (≠ M222) binding NADP(+)
Y216 (= Y224) binding shikimate
G235 (= G246) binding NADP(+)
Q242 (= Q253) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
31% identity, 96% coverage: 10:279/282 of query aligns to 2:256/258 of 3dooA

query
sites
3dooA

R

K

Y

F

A

A

V

V

V

I

G

G

N

N

P

P

I

I

A

S

H

H

S
|
S

R

L

S
|
S

P

P

Q

L

I

M

H

H

-

H

A

A

R

N

F

F

A

Q

A

S

E

L

T

N

G

L

E

E

H

N

V

-

A

T

Y

Y

D

E

R

A

I

I

L

N

A

V

P

P

L

V

D

N

G

Q

F

F

T

Q

V

D

T

I

A

K

R

K

D

I

F

I

F

S

A

E

G

K

G

S

G

I

R

D

G

G

L

F

N
|
N

V

V

T
|
T

V

I

P

P

F

H

K
|
K

L

E

E

R

A

I

F

I

E

P

L

Y

A

L

D

D

Q

D

L

I

T

N

E

E

R

Q

A

A

A

K

H

S

A

V

G

G

A

A

V

V

N
|
N

T

T

L

V

W

L

I

V

D

-

A

K

A

D

G

G

R

K

I

W

H

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

I

Y

V

V

R

N

D

G

L

L

R

K

D

Q

N

-

L

I

G

Y

V

E

K

G

L

I

A

E

G

D

A

A

R

Y

V

I

L

L

L

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

A

I

L

A

L

N

P

E

L

L

V

Y

D

K

A

I

G

V

P

R

A

P

E

T

I

L

V

T

I

V

A

A

N

N

R

R

T

T

E

M

P

S

K

R

A

F

E

N

L

W

A

S

Q

L

S

N

A

-

R

-

A

-

A

I

T

N

R

K

V

I

T

N

A

L

A

S

G

H

F

A

A

E

G

S

L

H

A

L

G

D

R

E

F

F

D

D

V

I

I

I

N

N

A

T

T

T

S

-

T

-

S

-

L

-

D

-

G

-

D

-

L

-

P

P

P

V

I

I

A

S

D

L

A

N

L

R

L

L

K

A

D

S

A

H

G

T

F

L

V

V

Y

S

D

D

M

I

M

V

Y

Y

G

N

A

P

K

Y

P

K

T

T

S

P

F

I

L

L

A

I

H

E

A

A

A

E

I

Q

C

R

G

G

C

N

A

P

G

-

L

I

A

Y

D

N

G

G

L

L

G

D

M

M

L
x
F

V

V

E

H

Q
|
Q

A

G

A

A

E

E

S

S

F

F

F

K

D

I

W

W

R

T

G

N

V

L

R

E

P

P

T

D

T

I

G

K

A

A

V

M

I

K

A

N

A

I

I

V

R

I

A

Q

E

K

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S21), S15 (= S23), N58 (= N66), T60 (= T68), K64 (= K72), N85 (= N93), D100 (= D109), F227 (≠ L250), Q230 (= Q253)

P56119 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Helicobacter pylori (strain ATCC 700392 / 26695) (Campylobacter pylori)
33% identity, 88% coverage: 11:258/282 of query aligns to 6:242/263 of P56119

query
sites
P56119

Y

F

A

G

V

V

V

F

G

G

N

N

P

P

I

I

A

K

H

H

S
|
S

R
x
K

S
|
S

P

P

Q

L

I

I

H

H

-

N

-

A

-

C

-

F

A

L

R

T

F

F

A

Q

A

K

E

E

T

L

G

R

E

F

H

L

V

G

A

H

Y

Y

D

H

R

P

I

I

L

L

A

L

P

P

L

L

D

E

G

-

F

-

T

S

V

H

T

I

A

K

R

S

D

E

F

F

F

L

A

H

G

L

G

G

G

L

R

S

G

G

L

A

N

N

V

V

T
|
T

V

L

P

P

F

F

K

K

L

E

E

R

A

A

F

F

E

Q

L

V

A

C

D

D

Q

K

L

I

T

K

E

G

R

I

A

A

A

L

H

E

A

C

G

G

A

A

V

V

N
|
N

T

T

L

L

W

V

I

L

D

E

A

N

A

D

G

E

R

L

I

V

H

-

G

G

D

Y

N

N

T

T

D
|
D

G

A

I

L

G

G

I

F

V

Y

R

L

D

S

L

L

R

K

D

Q

N

K

L

-

G

-

V

-

K

-

L

-

A

N

G

Y

A

Q

R

N

V

A

L

L

L

I

L

L

G
|
G

A
|
A

G
|
G

A
x
S

A

A

R

K

G

A

A

L

L

A

L

C

P

E

L

L

V

K

D

K

A

Q

G

G

P

-

A

L

E

Q

I

V

V

S

I

V

A

L

N

N

R

R

T

S

E

S

P

R

K

G

A

L

E

D

E

F

L

F

A

Q

Q

R

S

L

A

G

R

C

A

D

A

C

A

F

T

M

R

E

V

P

T

P

A

K

A

S

G

A

F

-

A

-

G

-

L

-

A

-

G

-

R

-

F

F

D

D

V

L

V

I

I

I

N

N

A

A

T

T

S
|
S

T

A

S

S

L

L

D

H

G

N

D

E

L

L

P

P

P

L

I

N

A

K

D

E

A

V

L

L

-

K

-

G

-

Y

L

F

K

K

D

E

A

G

G

K

F

L

V

A

Y

Y

D

D

M

L

M

A

Y
|
Y

G

G

A

F

K

L

P

-

T

T

S

P

F

F

L

L

A

S

H

L

A

A

A

K

I

E

C

L

G

K

C

-

A

T

G

P

L

F

A

Q

D

D

G
|
G

L

K

G

D

M

M

L

L

V

I

E

Y

Q
|
Q

A

A

E

L

S

S

F

F

SKS 16:18 (≠ SRS 21:23) binding shikimate
T65 (= T68) binding shikimate
N90 (= N93) binding shikimate
D105 (= D109) binding shikimate
GAGGS 125:129 (≠ GAGGA 134:138) binding NADP(+)
S181 (= S198) binding NADP(+)
Y210 (= Y224) binding shikimate
G230 (= G246) binding NADP(+)
Q237 (= Q253) binding shikimate

3phiA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with shikimate and NADPH
33% identity, 88% coverage: 11:258/282 of query aligns to 6:239/259 of 3phiA

query
sites
3phiA

Y

F

A

G

V

V

V

F

G

G

N

N

P

P

I

I

A

K

H

H

S
|
S

R

K

S
|
S

P

P

Q

L

I

I

H

H

-

N

-

A

-

C

-

F

A

L

R

T

F

F

A

Q

A

K

E

E

T

L

G

R

E

F

H

L

V

G

A

H

Y

Y

D

H

R

P

I

I

L

L

A

L

P

P

L

L

D

E

G

-

F

-

T

S

V

H

T

I

A

K

R

S

D

E

F

F

F

L

A

H

G

L

G

G

G

L

R

S

G

G

L

A

N
|
N

V

V

T

T

V
x
L

P
|
P

F

F

K
|
K

L

E

E

R

A

A

F

F

E

Q

L

V

A

C

D

D

Q

K

L

I

T

K

E

G

R

I

A

A

A

L

H

E

A

C

G

G

A

A

V

V

N
|
N

T

T

L

L

W

V

I

L

D

E

A

N

A

D

G

E

R

L

I

V

H

-

G

G

D

Y

N

N

T

T

D
|
D

G

A

I

L

G

G

I

F

V

Y

R

L

D

S

L

L

R

K

D

Y

N

Q

L

-

G

-

V

-

K

-

L

-

A

-

G

-

A

-

R

N

V

A

L

L

L

I

L

L

G

G

A

A

G
|
G

A
x
S

A

A

R

K

G

A

A

L

L

A

L

C

P

E

L

L

V

K

D

K

A

Q

G

G

P

-

A

L

E

Q

I

V

V

S

I

V

A

L

N

N

R
|
R

T

S

E

S

P

R

K

G

A

L

E

D

E

F

L

F

A

Q

Q

R

S

L

A

G

R

C

A

D

A

C

A

F

T

M

R

E

V

P

T

P

A

K

A

S

G

A

F

-

A

-

G

-

L

-

A

-

G

-

R

-

F

F

D

D

V

L

V

I

I

I

N

N

A

A

T
|
T

S
|
S

T
x
A

S

S

L
|
L

D

H

G

N

D

E

L

L

P
|
P

P

L

I

N

A

K

D

E

A

V

L

L

-

K

-

G

-

Y

L

F

K

K

D

E

A

G

G

K

F

L

V

A

Y

Y

D

D

M
x
L

M

A

Y
|
Y

G

G

A

F

K

L

P

-

T

T

S

P

F

F

L

L

A

S

H

L

A

A

A

K

I

E

C

L

G

K

C

-

A

T

G

P

L

F

A

Q

D

D

G
|
G

L

K

G

D

M
|
M

L
|
L

V

I

E

Y

Q
|
Q

A

A

E

L

S

S

F

F

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L66 (≠ V69), P67 (= P70), K69 (= K72), G124 (= G136), G125 (= G137), S126 (≠ A138), R146 (= R159), T177 (= T197), S178 (= S198), A179 (≠ T199), L181 (= L201), P186 (= P206), L205 (≠ M222), Y207 (= Y224), G227 (= G246), M230 (= M249), L231 (= L250)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S16 (= S21), S18 (= S23), N63 (= N66), K69 (= K72), N90 (= N93), D105 (= D109), Y207 (= Y224), Q234 (= Q253)

Q58484 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) (Methanococcus jannaschii) (see paper)
34% identity, 93% coverage: 13:275/282 of query aligns to 11:276/282 of Q58484

query
sites
Q58484

V

L

V

I

G

G

N

H

P

P

I

V

A

E

H

H

S

S

R

F

S

S

P

P

Q

I

I

M

H

H

A

N

R

A

F

A

A

F

A

K

E

D

T

K

G

G

-

L

-

N

-

Y

E

V

H

Y

V

V

A

A

Y

F

D

D

R

V

I

L

L

P

A

E

P

N

L

L

D

K

G

Y

F

V

T

I

V

D

T

G

A

A

R

K

D

-

F

-

A

A

G

L

G

G

G

I

R

V

G

G

L

F

N

N

V

V

T

T

V

I

P

P

F

H

K

K

L

I

E

E

A

I

F

M

E

K

L

Y

A

L

D

D

Q

E

L

I

T

D

E

K

R

D

A

A

A

Q

H

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

W

K

I

I

D

E

A

-

A

D

G

G

R

K

I

A

H

I

G

G

D

Y

N

N

T

T

D

D

G

G

I

I

G

G

I

A

V

R

R

M

D

A

L

L

R

E

D

E

N

E

L

I

G

G

V

-

K

R

L

V

A

K

G

D

A

K

R

N

V

I

L

V

L

I

L

Y

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

R

G

A

A

V

L

A

L

F

P

E

L

L

V

-

D

-

A

A

G

K

P

D

A

N

E

N

I

I

V

I

I

I

A

A

N
|
N

R
|
R

T
|
T

E
x
V

P
x
E

K
|
K

A

A

E

E

E

A

L

L

A

A

Q

K

S

E

A

I

R

A

A

E

A

K

A

L

T

N

R

K

V

K

-

F

-

G

T

E

A

E

A

V

G

K

F

F

A

S

G

G

L

L

A

D

G

V

R

D

F

L

-

D

-

G

-

V

D

D

V

I

I

I

N

N

A

A

T
|
T

S

P

T

I

S

G

L
x
M

-

Y

-

P

D

N

G

I

D

D

L

V

P

E

P

P

I

I

A

V

D

K

A

A

-

E

L

K

L

L

K

R

D

E

A

D

G

M

F

V

V

V

Y

M

D

D

M
x
L

M

I

Y

Y

G

N

A

P

K

L

P

E

T

T

S

V

F

L

L

L

A

K

H

E

A

A

A

K

I

K

C

V

G

N

C

A

A

K

G

T

L

I

A

-

D

N

G

G

L

L

G

G

M

M

L

L

V

I

E

Y

Q

Q

A

G

A

A

E

V

S

A

F

F

F

K

D

I

W

W

R

T

G

G

V

V

R

E

P

P

T

N

T

I

G

E

A

V

V

M

I

K

A

N

A

A

I

I

GAGGA 130:134 (= GAGGA 134:138) binding NADP(+)
NRTVEK 152:157 (≠ NRTEPK 158:163) binding NADP(+)
T196 (= T197) binding NADP(+)
M200 (≠ L201) binding NADP(+)
L224 (≠ M222) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
34% identity, 93% coverage: 13:275/282 of query aligns to 16:281/287 of 1nvtB

query
sites
1nvtB

V

L

V

I

G

G

N

H

P

P

I

V

A
x
E

H
|
H

S

S

R

F

S

S

P

P

Q

I

I

M

H

H

A

N

R

A

F

A

A

F

A

K

E

D

T

K

G

G

-

L

-

N

-

Y

E

V

H

Y

V

V

A

A

Y

F

D

D

R

V

I

L

L

P

A

E

P

N

L

L

D

K

G

Y

F

V

T

I

V

D

T

G

A

A

R

K

D

-

F

-

A

A

G

L

G

G

G

I

R

V

G

G

L

F

N

N

V

V

T

T

V
x
I

P

P

F

H

K
|
K

L

I

E

E

A

I

F

M

E

K

L

Y

A

L

D

D

Q

E

L

I

T

D

E

K

R

D

A

A

A

Q

H

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

W

K

I

I

D

E

A

-

A

D

G

G

R

K

I

A

H

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

I

I

G

G

I

A

V

R

R

M

D

A

L

L

R

E

D

E

N

E

L

I

G

G