SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing CCNA_00003 FitnessBrowser__Caulo:CCNA_00003 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)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
37% identity, 93% coverage: 1:265/285 of query aligns to 1:252/267 of 2hk9B

query
sites
2hk9B

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binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ I70), K70 (= K73), D106 (= D110), G130 (= G136), A131 (= A137), G132 (= G138), G133 (= G139), A134 (= A140), N153 (= N160), R154 (= R161), T155 (= T162), K158 (≠ R165), T187 (≠ A198), T188 (= T199), S189 (= S200), V190 (≠ L201), L192 (= L203), I214 (≠ M225), G235 (= G248), M238 (= M251), L239 (= L252)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S22), S21 (= S24), N64 (= N67), V65 (= V68), T66 (= T69), K70 (= K73), N91 (= N94), D106 (= D110), Y216 (= Y227), L239 (= L252), Q242 (= Q255)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
37% identity, 93% coverage: 1:265/285 of query aligns to 1:252/269 of 2hk9A

query
sites
2hk9A

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binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ I70), G130 (= G136), A131 (= A137), G132 (= G138), G133 (= G139), A134 (= A140), N153 (= N160), R154 (= R161), T155 (= T162), K158 (≠ R165), T187 (≠ A198), T188 (= T199), S189 (= S200), V190 (≠ L201)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S22), S21 (= S24), N64 (= N67), V65 (= V68), T66 (= T69), K70 (= K73), N91 (= N94), D106 (= D110), Y216 (= Y227), L239 (= L252), Q242 (= Q255)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
37% identity, 93% coverage: 1:265/285 of query aligns to 1:252/269 of O67049

query
sites
O67049

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SLS 19:21 (≠ SMS 22:24) binding
D82 (= D85) binding
N91 (= N94) binding
D106 (= D110) binding
GAGGA 130:134 (= GAGGA 136:140) binding
I214 (≠ M225) binding
Y216 (= Y227) binding
G235 (= G248) binding
Q242 (= Q255) binding

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
33% identity, 95% coverage: 1:270/285 of query aligns to 5:282/291 of 3tozA

query
sites
3tozA

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binding nicotinamide-adenine-dinucleotide: G137 (= G136), A138 (= A137), G139 (= G138), G140 (= G139), A141 (= A140), N161 (= N160), R162 (= R161), D164 (vs. gap), F166 (vs. gap), T210 (= T199), G211 (≠ S200), V212 (≠ L201), M214 (≠ L203), F217 (≠ G206), L222 (vs. gap), V238 (≠ M225), Y240 (= Y227), G261 (= G248), M264 (= M251), M265 (≠ L252), Q268 (= Q255), E274 (= E261), H278 (≠ Q266)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
33% identity, 95% coverage: 1:270/285 of query aligns to 5:282/291 of Q8Y9N5

query
sites
Q8Y9N5

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D

K

R

E

F

L

E

K

T

D

F

V

V

V

D

Q

G

G

L

F

R

R

G

A

G

M

A

N

V

L

R

R

G

G

L

W

N

N

V

V

T

S

I

M

P

P

F

N

K

K

E

T

R

N

A

I

L

H

A

K

V

Y

A

L

D

D

T

K

A

L

S

S

D

P

L

A

A

A

R

E

M

L

A

V

G

G

A

A

A

V

N

N

L

T

L

V

V

V

F

-

N

N

E

D

D

D

G

G

S

V

V

L

H

T

A

G

D

H

N

I

T

T

D

D

G

G

P

T

G

G

L

Y

L

M

G

R

A

-

I

-

A

A

I

L

Q

K

A

E

P

A

G

G

F

H

D

D

V

I

T

I

A

G

A

K

P

K

V

M

V

T

I

I

L

C

G

G

A

A

G

G

A

A

R

T

G

A

A

I

V

C

A

I

A

Q

L

A

L

L

A

D

G

G

A

V

P

K

R

E

I

I

A

S

V

I

V

F

N
|
N

R
|
R

T
x
K

-
x
D

-

D

-

F

V

Y

A

A

R

N

A

A

Q

E

D

K

L

T

A

V

D

E

T

K

F

I

G

N

E

S

K

K

V

T

V

D

A

C

K

K

G

A

E

Q

-

L

-

F

-

D

-

I

-

E

-

D

-

H

D

E

A

Q

L

L

P

R

A

K

L

E

L

I

P

A

E

E

A

S

G

V

L

I

I

F

I

T

N

N

A

A

T

T

S

G

L

V

G

G

L
x
M

G

K

G

P

G

F

A

E

G

G

-

E

-

T

-

L

P

P

S

S

A

A

D

D

L

M

T

-

L

L

T

R

P

P

K

E

T

-

A

L

V

I

V

V

M

S

D

D

M

V

V

V

Y

Y

K

K

P

P

L

T

R

K

T

T

E

R

F

L

L

L

R

E

R

I

A

A

E

E

A

E

A

Q

G

G

R

C

R

Q

T

T

V

L

D

N

G

G

L

L

E

G

M

M

L

M

L

L

R

W

Q

Q

A

G

I

A

P

K

T

A

F

F

E

E

T

-

I

I

Y

W

G

T

Q

H

A

K

P

E

S

M

P

P

SLS 26:28 (≠ SMS 22:24) binding
NRKD 161:164 (≠ NRT- 160:162) binding
M214 (≠ L203) binding

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
33% identity, 95% coverage: 1:270/285 of query aligns to 2:279/288 of 3tnlA

query
sites
3tnlA

M

I

T

T

N

E

A

R

I

I

T

T

G

G

A

H

A

T

I

E

V

L

G

I

G

G

V
x
L

C

I

G

A

Q

T

P

P

I
|
I

K

R

H

H

S
|
S

M

L

S
|
S

P

P

V

T

I

M

H

H

N

N

A

E

W

A

I

F

A

A

A

K

A

L

G

G

L

L

D

D

A

Y

A

V

Y

Y

V

L

P

A

F

F

A

E

P

V

A

G

A

D

D

K

R

E

F

L

E

K

T

D

F

V

V

V

D

Q

G

G

L

F

R

R

G

A

G

M

A

N

V

L

R

R

G

G

L

W

N
|
N

V
|
V

T
x
S

I
x
M

P

P

F

N

K
|
K

E

T

R

N

A

I

L

H

A

K

V

Y

A

L

D

D

T

K

A

L

S

S

D

P

L

A

A

A

R

E

M

L

A

V

G

G

A

A

A

V

N
|
N

L

T

L

V

V

V

F

-

N

N

E

D

D

D

G

G

S

V

V

L

H

T

A

G

D

H

N

I

T

T

D
|
D

G

G

P

T

G

G

L

Y

L

M

G

R

A

-

I

-

A

A

I

L

Q

K

A

E

P

A

G

G

F

H

D

D

V

I

T

I

A

G

A

K

P

K

V

M

V

T

I

I

L

C

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

T

G

A

A

I

V

C

A

I

A

Q

L

A

L

L

A

D

G

G

A

V

P

K

R

E

I

I

A

S

V

I

V

F

N
|
N

R
|
R

T

K

-
x
D

-

D

-
x
F

V

Y

A

A

R

N

A

A

Q

E

D

K

L

T

A

V

D

E

T

K

F

I

G

N

E

S

K

K

V

T

V

D

A

C

K

K

G

A

E

Q

-

L

-

F

-

D

-

I

-

E

-

D

-

H

D

E

A

Q

L

L

P

R

A

K

L

E

L

I

P

A

E

E

A

S

G

V

L

I

I

F

I

T

N

N

A

A

T
|
T

S
x
G

L
x
V

G

G

L
x
M

G

K

G

P

G
x
F

A

E

G

G

-

E

-

T

-
x
L

-

L

P

P

S

S

A

A

D

D

L

M

T

-

L

L

T

R

P

P

K

E

T

-

A

L

V

I

V

V

M

S

D

D

M
x
V

V

V

Y
|
Y

K

K

P

P

L

T

R

K

T

T

E

R

F

L

L

L

R

E

R

I

A

A

E

E

A

E

A

Q

G

G

R

C

R

Q

T

T

V

L

D

N

G
|
G

L

L

E

G

M
|
M

L
x
M

L

L

R

W

Q
|
Q

A

G

I

A

P

K

T

A

F

F

E

E

T

-

I

I

Y

W

G

T

Q

H

A

K

P

E

S

M

P

P

binding nicotinamide-adenine-dinucleotide: M71 (≠ I70), D110 (= D110), G134 (= G136), A135 (= A137), G136 (= G138), G137 (= G139), A138 (= A140), N158 (= N160), R159 (= R161), D161 (vs. gap), F163 (vs. gap), T207 (= T199), G208 (≠ S200), V209 (≠ L201), M211 (≠ L203), F214 (≠ G206), L219 (vs. gap), V235 (≠ M225), Y237 (= Y227), G258 (= G248), M261 (= M251), M262 (≠ L252)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: L15 (≠ V14), I20 (= I19), S23 (= S22), S25 (= S24), N68 (= N67), V69 (= V68), S70 (≠ T69), K74 (= K73), N95 (= N94), D110 (= D110), M262 (≠ L252), Q265 (= Q255)

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
37% identity, 95% coverage: 14:283/285 of query aligns to 10:276/278 of Q9KVT3

query
sites
Q9KVT3

V

V

C

F

G

G

Q

N

P

P

I

I

K

N

H

H

S
|
S

M
x
K

S
|
S

P

P

V

F

I

I

H

H

N

T

A

L

W

F

I

A

A

R

A

Q

A

T

G

Q

L

Q

D

S

A

M

A

I

Y

Y

V

T

P

A

F

Q

A

C

P

V

A

P

A

V

D

D

R

G

F

F

E

T

T

E

F

A

V

A

D

K

G

H

L

F

R

F

G

A

G

Q

A

G

V

G

R

R

G

G

L

C

N

N

V

V

T

T

I

V

P

P

F

F

K

K

E

E

R

E

A

A

L

Y

A

R

V

F

A

A

D

D

T

R

A

L

S

T

D

E

L

R

A

A

R

R

M

L

A

A

G

G

A

A

A

V

N
|
N

L

T

L

L

V

K

F

K

N

L

E

D

D

D

G

G

S

E

V

I

H

L

A

G

D

D

N

N

T

T

D
|
D

G

G

P

E

G

G

L

L

L

V

G

Q

A

D

I

L

A

L

I

A

Q

Q

A

Q

P

-

G

-

F

V

D

L

V

L

T

K

A

G

A

A

P

T

V

I

V

L

I

L

L

I

G

G

A

A

G

G

A

A

R

R

G

G

A

V

V

L

A

K

A

P

L

L

L

D

A

Q

G

Q

A

P

P

A

R

S

I

I

A

T

V

V

V

T

N
|
N

R
|
R

T
|
T

V
x
F

A
|
A

R
x
K

A

A

Q

E

D

Q

L

L

A

A

D

-

T

-

F

-

G

-

E

E

K

L

V

V

V

A

A

A

K

Y

G

G

E

E

-

V

-

K

-

A

D

Q

A

A

L

F

P

E

A

Q

L

L

L

K

P

Q

E

S

A

Y

G

D

L

V

I

I

N

N

A

S

T

T

S

S

L

A

G

S

L

L

G

D

G

G

G

E

A

L

G

-

P

P

S

A

A

I

D

D

L

P

T

V

L

I

T

F

P

S

K

S

T

R

A

S

V

V

V

C

M

Y

D

D

M

M

V

M

Y

Y

K

G

P

K

L

G

R

Y

T

T

E

V

F

F

L

N

R

Q

R

W

A

A

E

R

A

Q

A

H

G

G

-

C

R

A

R

Q

T

A

V

I

D

D

G

G

L

L

E

G

M

M

L

L

L

V

R

G

Q
|
Q

A

A

I

A

P

E

T

S

F

F

E

M

T

L

I

W

Y

R

G

G

Q

L

A

R

P

P

S

G

P

T

K

K

I

Q

D

I

V

L

R

R

V

E

L

L

A

R

L

K

K

N

L

L

L

E

G

G

SKS 18:20 (≠ SMS 22:24) binding
N90 (= N94) binding
D106 (= D110) binding
NRTFAK 154:159 (≠ NRTVAR 160:165) binding
Q248 (= Q255) binding

3pgjA 2.49 angstrom resolution crystal structure of shikimate 5- dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate
37% identity, 95% coverage: 14:283/285 of query aligns to 6:272/272 of 3pgjA

query
sites
3pgjA

V

V

C

F

G

G

Q

N

P

P

I

I

K

N

H

H

S
|
S

M

K

S
|
S

P

P

V

F

I

I

H

H

N

T

A

L

W

F

I

A

A

R

A

Q

A

T

G

Q

L

Q

D

S

A

M

A

I

Y

Y

V

T

P

A

F

Q

A

C

P

V

A

P

A

V

D

D

R

G

F

F

E

T

T

E

F

A

V

A

D

K

G

H

L

F

R

F

G

A

G

Q

A

G

V

G

R

R

G

G

L

C

N
|
N

V
|
V

T
|
T

I

V

P

P

F

F

K
|
K

E

E

R

E

A

A

L

Y

A

R

V

F

A

A

D

D

T

R

A

L

S

T

D

E

L

R

A

A

R

R

M

L

A

A

G

G

A

A

A

V

N
|
N

L

T

L

L

V

K

F

K

N

L

E

D

D

D

G

G

S

E

V

I

H

L

A

G

D

D

N

N

T

T

D
|
D

G

G

P

E

G

G

L

L

L

V

G

Q

A

D

I

L

A

L

I

A

Q

Q

A

Q

P

-

G

-

F

V

D

L

V

L

T

K

A

G

A

A

P

T

V

I

V

L

I

L

L

I

G

G

A

A

G

G

A

A

R

R

G

G

A

V

V

L

A

K

A

P

L

L

L

D

A

Q

G

Q

A

P

P

A

R

S

I

I

A

T

V

V

V

T

N

N

R

R

T

T

V

F

A

A

R

K

A

A

Q

E

D

Q

L

L

A

A

D

-

T

-

F

-

G

-

E

E

K

L

V

V

V

A

A

A

K

Y

G

G

E

E

-

V

-

K

-

A

D

Q

A

A

L

F

P

E

A

Q

L

L

L

K

P

Q

E

S

A

Y

G

D

L

V

I

I

N

N

A

S

T

T

S

S

L

A

G

S

L

L

G

D

G

G

G

E

A

L

G

-

P

P

S

A

A

I

D

D

L

P

T

V

L

I

T

F

P

S

K

S

T

R

A

S

V

V

V

C

M

Y

D

D

M

M

V

M

Y

Y

K

G

P

K

L

G

R

Y

T

T

E

V

F

F

L

N

R

Q

R

W

A

A

E

R

A

Q

A

H

G

G

-

C

R

A

R

Q

T

A

V

I

D

D

G

G

L

L

E

G

M

M

L
|
L

L

V

R

G

Q
|
Q

A

A

I

A

P

E

T

S

F

F

E

M

T

L

I

W

Y

R

G

G

Q

L

A

R

P

P

S

G

P

T

K

K

I

Q

D

I

V

L

R

R

V

E

L

L

A

R

L

K

K

N

L

L

L

E

G

G

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S22), S16 (= S24), N59 (= N67), V60 (= V68), T61 (= T69), K65 (= K73), N86 (= N94), D102 (= D110), L241 (= L252), Q244 (= Q255)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
30% identity, 95% coverage: 14:285/285 of query aligns to 5:269/269 of Q5HNV1

query
sites
Q5HNV1

V

V

C

I

G

G

Q

N

P

P

I

I

K

S

H

H

S
|
S

M
x
L

S
|
S

P

P

V

L

I

M

H

H

N

H

A

A

W

N

I

F

A

Q

A

S

A

L

G

N

L

L

D

E

A

N

A

T

Y

Y

V

E

P

A

F

I

A

N

P

V

A

P

A

V

D

N

R

Q

F

F

E

Q

T

D

F

I

V

K

D

K

G

I

L

I

R

S

G

E

G

K

A

S

V

I

R

D

G

G

L

F

N

N

V

V

T
|
T

I

I

P

P

F

H

K

K

E

E

R

R

A

I

L

I

A

P

V

Y

A

L

D

D

T

D

A

I

S

N

D

E

L

Q

A

A

R

K

M

S

A

V

G

G

A

A

A

V

N
|
N

L

T

L

V

V

L

F

V

N

-

E

K

D

D

G

G

S

K

V

W

H

I

A

G

D

Y

N

N

T

T

D
|
D

G

G

P

I

G

G

L

Y

L

V

G

N

A

G

I

L

A

K

I

Q

Q

I

A

Y

P

E

G

G

F

-

D

-

V

I

T

E

A

D

A

A

P

Y

V

I

V

L

I

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

A

I

V

A

A

N

A

E

L

L

L

Y

L

K

A

I

G

V

A

R

P

P

R

T

I

L

A

T

V

V

V

A

N

N

R

R

T

T

V

M

A

S

R

R

A

F

Q

N

D

N

L

W

A

S

D

L

T

N

F

I

G

N

E

K

K

I

V

N

V

L

A

S

K

H

G

A

E

E

D

-

A

-

L

-

P

-

A

S

L

H

L

L

P

D

E

E

A

F

G

D

L

I

I

I

N

N

A

T

T

T

S

P

L

A

G

G

L

M

G

N

G

G

G

N

A

T

G

D

P

S

S

V

A

I

D

S

L

L

T

N

L

R

T

L

P

A

K

S

T

H

A

T

V

L

V

V

M

S

D

D

M

I

V

V

Y
|
Y

K

N

P

P

L

Y

R

K

T

T

E

P

F

I

L

L

R

I

R

E

A

A

E

E

A

Q

A

R

G

G

R

N

R

P

T

I

V

Y

D

N

G

G

L

L

E

D

M

M

L

F

L

V

R

H

Q
|
Q

A

G

I

A

P

E

T

S

F

F

E

K

T

I

I

W

Y

T

G

N

Q

L

A

E

P

P

S

D

P

I

K

K

I

A

D

M

V

K

R

N

V

I

L

V

A

I

L

Q

K

K

L

L

L

K

G

G

E

E

V

L

SLS 13:15 (≠ SMS 22:24) binding
T60 (= T69) binding
N85 (= N94) binding
D100 (= D110) binding
Y211 (= Y227) 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 (= Q255) binding

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
37% identity, 94% coverage: 14:281/285 of query aligns to 6:270/271 of 1nytA

query
sites
1nytA

V

V

C

F

G

G

Q

N

P

P

I

I

K

A

H

H

S

S

M

K

S

S

P

P

V

F

I

I

H

H

N

Q

A

Q

W

F

I

A

A

Q

A

L

G

N

L

I

D

E

A

H

A

P

Y

Y

-

G

V

R

P

V

F

L

A

A

P

P

A

I

A

N

D

D

R

F

F

I

E

N

T

T

F

L

V

N

D

A

G

F

L

F

R

S

G

A

G

G

A

G

V

-

R

K

G

G

L

A

N

N

V

V

T

T

I
x
V

P
|
P

F

F

K
|
K

E

E

R

E

A

A

L

F

A

A

V

R

A

A

D

D

T

E

A

L

S

T

D

E

L

R

A

A

R

A

M

L

A

A

G

G

A

A

A

V

N

N

L

T

L

L

V

M

F

R

N

L

E

E

D

D

G

G

S

R

V

L

H

L

A

G

D

D

N

N

T

T

D
|
D

G

G

P

V

G

G

L

L

G

S

A

-

I

-

A

D

I

L

Q

E

A

R

P

L

G

S

F

F

D

I

V

R

T

P

A

G

A

L

P

R

V

I

V

L

I

L

L

I

G
|
G

A
|
A

G
|
G

A
|
A

A

S

R

R

G

G

A

V

V

L

A

L

A

P

L

L

L

S

A

L

G

D

A

C

P

A

R

-

I

V

A

T

V

I

V

T

N
|
N

R
|
R

T
|
T

V

V

A

S

R
|
R

A

A

Q

E

D

E

L

L

A

A

D

K

T

L

F

F

G

A

E

H

-

T

-

G

K

S

V

I

V

Q

A

A

K

L

G

S

E

M

D

D

A

E

L

L

P

E

A

G

L

-

P

H

E

E

A

F

G

D

L

L

I

I

N

N

A
|
A

T
|
T

S
|
S

L
x
S

G

G

L

I

G

S

G

G

G

D

A

I

G

-

P

P

S

A

A

I

D

P

L

S

T

S

L

L

T

I

P

H

K

P

T

G

A

I

V

Y

V

C

M

Y

D

D

M
|
M

V

F

Y
|
Y

K

Q

P

K

L

G

R

K

T

T

E

P

F

F

L

L

R

A

R

W

A

C

E

E

A

Q

A

R

G

G

-

S

R

K

R

R

T

N

V

A

D

D

G
|
G

L

L

E

G

M
|
M

L
|
L

L

V

R

A

Q

Q

A

A

I

A

P

H

T

A

F

F

E

L

T

L

I

W

Y

H

G

G

Q

V

A

L

P

P

S

D

P

V

K

E

I

P

D

V

V

I

R

K

V

Q

L

L

A

Q

L

E

K

E

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: V62 (≠ I70), P63 (= P71), K65 (= K73), D102 (= D110), G126 (= G136), A127 (= A137), G128 (= G138), G129 (= G139), A130 (= A140), N149 (= N160), R150 (= R161), T151 (= T162), R154 (= R165), A187 (= A198), T188 (= T199), S189 (= S200), S190 (≠ L201), M213 (= M225), Y215 (= Y227), G237 (= G248), M240 (= M251), L241 (= L252)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
37% identity, 94% coverage: 14:281/285 of query aligns to 6:270/272 of P15770

query
sites
P15770

V

V

C

F

G

G

Q

N

P

P

I

I

K

A

H

H

S

S

M

K

S

S

P

P

V

F

I

I

H

H

N

Q

A

Q

W

F

I

A

A

Q

A

L

G

N

L

I

D

E

A

H

A

P

Y

Y

-

G

V

R

P

V

F

L

A

A

P

P

A

I

A

N

D

D

R

F

F

I

E

N

T

T

F

L

V

N

D

A

G

F

L

F

R

S

G

A

G

G

A

G

V

-

R

K

G

G

L

A

N

N

V

V

T

T

I

V

P

P

F

F

K

K

E

E

R

E

A

A

L

F

A

A

V

R

A

A

D

D

T

E

A

L

S

T

D

E

L

R

A

A

R

A

M

L

A

A

G

G

A

A

A

V

N

N

L

T

L

L

V

M

F

R

N

L

E

E

D

D

G

G

S

R

V

L

H

L

A

G

D

D

N

N

T

T

D

D

G

G

P

V

G

G

L

L

G

S

A

-

I

-

A

D

I

L

Q

E

A

R

P

L

G

S

F

F

D

I

V

R

T

P

A

G

A

L

P

R

V

I

V

L

I

L

L

I

G
|
G

A
|
A

G
|
G

A
|
A

A

S

R

R

G

G

A

V

V

L

A

L

A

P

L

L

L

S

A

L

G

D

A

C

P

A

R

-

I

V

A

T

V

I

V

T

N
|
N

R
|
R

T
|
T

V
|
V

A
x
S

R
|
R

A

A

Q

E

D

E

L

L

A

A

D

K

T

L

F

F

G

A

E

H

-

T

-

G

K

S

V

I

V

Q

A

A

K

L

G

S

E

M

D

D

A

E

L

L

P

E

A

G

L

-

P

H

E

E

A

F

G

D

L

L

I

I

N

N

A

A

T

T

S

S

L

S

G

G

L

I

G

S

G

G

G

D

A

I

G

-

P

P

S

A

A

I

D

P

L

S

T

S

L

L

T

I

P

H

K

P

T

G

A

I

V

Y

V

C

M

Y

D

D

M
|
M

V

F

Y

Y

K

Q

P

K

L

G

R

K

T

T

E

P

F

F

L

L

R

A

R

W

A

C

E

E

A

Q

A

R

G

G

-

S

R

K

R

R

T

N

V

A

D

D

G
|
G

L

L

E

G

M

M

L

L

L

V

R

A

Q

Q

A

A

I

A

P

H

T

A

F

F

E

L

T

L

I

W

Y

H

G

G

Q

V

A

L

P

P

S

D

P

V

K

E

I

P

D

V

V

I

R

K

V

Q

L

L

A

Q

L

E

K

E

L

L

GAGGA 126:130 (= GAGGA 136:140) binding
NRTVSR 149:154 (≠ NRTVAR 160:165) binding
M213 (= M225) binding
G237 (= G248) binding

P43876 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
36% identity, 89% coverage: 14:268/285 of query aligns to 6:258/272 of P43876

query
sites
P43876

V

V

C

W

G

G

Q

N

P

P

I

I

K

A

H

Q

S

S

M

K

S

S

P

P

V

L

I

I

H

Q

N

N

A

K

W

L

I

A

A

A

A

Q

A

T

G

H

L

Q

D

T

A

M

A

E

Y

Y

V

I

P

A

F

K

A

L

P

G

A

D

A

L

D

D

R

A

F

F

E

E

T

Q

F

Q

V

L

D

L

G

A

L

F

R

F

G

E

A

G

V

A

R

K

G

G

L

C

N

N

V

I

T

T

I

S

P

P

F

F

K

K

E

E

R

R

A

A

L

Y

A

Q

V

L

A

A

D

D

T

E

A

Y

S

S

D

Q

L

R

A

A

R

K

M

L

A

A

G

E

A

A

A

C

N

N

L

T

L

L

V

K

F

K

N

L

E

D

D

D

G

G

S

K

V

L

H

Y

A

A

D

D

N

N

T

T

D

D

G

G

P

I

G

G

L

L

L

V

G

-

A

-

I

T

A

D

I

L

Q

Q

A

R

P

L

G

N

F

W

D

L

V

R

T

P

A

N

A

Q

P

H

V

V

V

L

I

I

L

L

G
|
G

A
|
A

G
|
G

A
|
A

A

T

R

K

G

G

A

V

V

L

A

L

A

P

L

L

L

Q

A

A

G

-

A

Q

P

Q

R

N

I

I

A

V

V

L

V

A

N
|
N

R
|
R

T
|
T

V
x
F

A
x
S

R
x
K

A

T

Q

K

D

E

L

L

A

A

D

E

T

R

F

F

G

Q

E

P

-

Y

-

G

K

N

V

I

V

Q

A

A

K

V

G

S

E

M

D

D

A

S

L

I

P

P

A

-

L

-

L

L

P

Q

E

T

A

Y

G

D

L

L

I

V

I

I

N

N

A

A

T

T

S
|
S

L

A

G

G

L

L

G

S

G

G

A

T

G

A

P

-

S

S

A

V

D

D

L

A

T

E

L

I

T

L

P

K

K

L

T

G

A

S

V

A

V

F

M

Y

D

D

M

M

V

Q

Y

Y

-

A

K

K

P

G

L

T

R

D

T

T

E

P

F

F

L

I

R

A

R

L

A

C

E

K

A

S

A

L

G

G

R

L

R

T

T

N

V

V

-

S

D

D

G

G

L

F

E

G

M

M

L

L

L

V

R

A

Q

Q

A

A

I

A

P

H

T

S

F

F

E

H

T

L

I

W

Y

R

G

G

Q

V

A

M

P

P

GAGGA 126:130 (= GAGGA 136:140) binding
NRTFSK 149:154 (≠ NRTVAR 160:165) binding
S189 (= S200) binding

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
38% identity, 95% coverage: 14:283/285 of query aligns to 6:268/268 of 3sefA

query
sites
3sefA

V

V

C

F

G

G

Q

N

P

P

I

-

K

-

H

-

S

S

M

K

S

S

P

P

V

F

I

I

H

H

N

T

A

L

W

F

I

A

A

R

A

Q

A

T

G

Q

L

Q

D

S

A

M

A

I

Y

Y

-

T

-

A

-

Q

-

C

V

V

P

P

-

D

-

G

F

F

A

T

P

E

A

A

D

K

R

H

F

F

E

F

T

A

F

-

V

-

D

-

G

-

L

-

R

Q

G

G

A

-

V

-

R

R

G

G

L

C

N

N

V

V

T

T

I

V

P

P

F

F

K

K

E

E

R

E

A

A

L

Y

A

R

V

F

A

A

D

D

T

R

A

L

S

T

D

E

L

R

A

A

R

R

M

L

A

A

G

G

A

A

A

V

N

N

L

T

L

L

V

K

F

K

N

L

E

D

D

D

G

G

S

E

V

I

H

L

A

G

D

D

N

N

T

T

D

D

G

G

P

E

G

G

L

L

L

V

G

Q

A

D

I

L

A

L

I

A

Q

Q

A

Q

P

-

G

-

F

V

D

L

V

L

T

K

A

G

A

A

P

T

V

I

V

L

I

L

L

I

G

G

A
|
A

G
|
G

A
|
A

A

A

R

R

G

G

A

V

V

L

A

K

A

P

L

L

L

D

A

Q

G

Q

A

P

P

A

R

S

I

I

A

T

V

V

V

T

N
|
N

R
|
R

T
|
T

V

F

A

A

R
x
K

A

A

Q

E

D

Q

L

L

A

A

D

-

T

-

F

-

G

-

E

E

K

L

V

V

V

A

A

A

K

Y

G

G

E

E

-

V

-

K

-

A

D

Q

A

A

L

F

P

E

A

Q

L

L

L

K

P

Q

E

S

A

Y

G

D

L

V

I

I

N

N

A
x
S

T
|
T

S
|
S

L
x
A

G

S

L

L

G

D

G

G

G

E

A

L

G

-

P
|
P

S

A

A

I

D

D

L

P

T

V

L

I

T

F

P

S

K

S

T

R

A

S

V

V

V

C

M

Y

D

D

M
|
M

V
x
M

Y

Y

K

G

P

K

L

G

R

Y

T

T

E

V

F

F

L

N

R

Q

R

W

A

A

E

R

A

Q

A

H

G

G

-

C

R

A

R

Q

T

A

V

I

D

D

G

G

L

L

E

G

M

M

L

L

L

V

R

G

Q

Q

A

A

I

A

P

E

T

S

F

F

E

M

T

L

I

W

Y

R

G

G

Q

L

A

R

P

P

S

G

P

T

K

K

I

Q

D

I

V

L

R

R

V

E

L

L

A

R

L

K

K

N

L

L

L

E

G

G

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: A123 (= A137), G124 (= G138), G125 (= G139), A126 (= A140), N146 (= N160), R147 (= R161), T148 (= T162), K151 (≠ R165), S183 (≠ A198), T184 (= T199), S185 (= S200), A186 (≠ L201), P193 (= P209), M209 (= M225), M210 (≠ V226)

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
32% identity, 89% coverage: 13:266/285 of query aligns to 5:267/280 of 1o9bA

query
sites
1o9bA

G

G

V

L

C

M

G

A

Q

Y

P

P

I

I

K

R

H

H

S

S

M

L

S

S

P

P

V

E

I

M

H

Q

N

N

A

K

W

A

I

L

A

E

A

K

A

A

G

G

L

L

D

P

A

F

A

T

Y

Y

V

M

P

A

F

F

A

E

P

V

A

D

A

N

D

D

R

S

F

F

E

P

T

G

F

A

V

I

D

E

G

G

L

L

R

K

G

A

G

L

A

K

V

M

R

R

G

G

L

T

N

G

V

V

T

S

I

M

P

P

F

N

K

K

E

Q

R

L

A

A

L

C

A

E

V

Y

A

V

D

D

T

E

A

L

S

T

D

P

L

A

A

A

R

K

M

L

A

V

G

G

A

A

A

I

N

N

L

T

L

I

V

V

F

-

N

N

E

D

D

D

G

G

S

Y

V

L

H

R

A

G

D

Y

N

N

T

T

D
|
D

G

G

P

T

G

G

L

H

L

I

G

R

A

-

I

-

A

A

I

I

Q

K

A

E

P

S

G

G

F

F

D

D

V

I

T

K

A

G

A

K

P

T

V

M

V

V

I

L

L

L

G
|
G

A
|
A

G
|
G

A
|
A

-

S

-

T

-

A

-

I

-

G

A

A

R

Q

G

G

A

A

V

I

A

E

A

G

L

L

L

K

-

E

-

I

-

K

-

L

-

F

-
x
N

-
x
R

-

R

-
x
D

-

E

-
x
F

-

F

-

D

-

K

-

A

L

L

A

A

G

F

A

A

P

Q

R

R

I

V

A

N

V

E

V

N

N

T

R

D

T

C

V

V

A

V

R

T

A

V

Q

T

D

D

L

L

A

A

D

D

T

-

F

-

G

-

E

-

K

-

V

-

A

-

K

-

G

-

E

Q

D

Q

A

A

L

F

P

A

A

E

L

A

L

L

P

A

E

S

A

A

G

D

L

I

I

L

I

T

N

N

A
x
G

T
|
T

S
x
K

L
x
V

G

G

L
x
M

G

K

G

P

G

L

A

E

G

N

P

E

S

S

-

L

-

V

A

N

D

D

L

I

T

S

L

L

T

L

P

H

K

P

T

G

A

L

V

L

V

V

M

T

D

E

M
x
C

V

V

Y
|
Y

K

N

P

P

L

H

R

M

T

T

E

K

F

L

L

L

R

Q

A

A

E

Q

A

Q

A

A

G

G

R

C

R

K

T

T

V

I

D

D

G
|
G

L

Y

E

G

M
|
M

L
|
L

L

L

R

W

Q

Q

A

G

I

A

P

E

T

Q

F

F

E

T

T

L

I

W

Y

T

G

G

Q

K

binding 1,4-dihydronicotinamide adenine dinucleotide: D101 (= D110), G125 (= G136), A126 (= A137), G127 (= G138), G128 (= G139), A129 (= A140), N149 (vs. gap), R150 (vs. gap), D152 (vs. gap), F154 (vs. gap), G197 (≠ A198), T198 (= T199), K199 (≠ S200), V200 (≠ L201), M202 (≠ L203), C226 (≠ M225), Y228 (= Y227), G249 (= G248), M252 (= M251), L253 (= L252)

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
30% identity, 95% coverage: 14:283/285 of query aligns to 5:258/258 of 3dooA

query
sites
3dooA

V
|
V

C

I

G

G

Q

N

P

P

I

I

K

S

H

H

S
|
S

M

L

S
|
S

P

P

V

L

I

M

H

H

N

H

A

A

W

N

I

F

A

Q

A

S

A

L

G

N

L

L

D

E

A

N

A

T

Y

Y

V

E

P

A

F

I

A

N

P

V

A

P

A

V

D

N

R

Q

F

F

E

Q

T

D

F

I

V

K

D

K

G

I

L

I

R

S

G

E

G

K

A

S

V

I

R

D

G

G

L

F

N
|
N

V
|
V

T
|
T

I

I

P

P

F

H

K
|
K

E

E

R

R

A

I

L

I

A

P

V

Y

A

L

D

D

T

D

A

I

S

N

D

E

L

Q

A

A

R

K

M

S

A

V

G

G

A

A

A

V

N
|
N

L

T

L

V

V

L

F

V

N

-

E

K

D

D

G

G

S

K

V

W

H

I

A

G

D

Y

N

N

T

T

D
|
D

G

G

P

I

G

G

L

Y

L

V

G

N

A

G

I

L

A

K

I

Q

Q

I

A

Y

P

E

G

G

F

-

D

-

V

I

T

E

A

D

A

A

P

Y

V

I

V

L

I

I

L

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

A

I

V

A

A

N

A

E

L

L

L

Y

L

K

A

I

G

V

A

R

P

P

R

T

I

L

A

T

V

V

V

A

N

N

R

R

T

T

V

M

A

S

R

R

A

F

Q

N

D

N

L

W

A

S

D

L

T

N

F

I

G

N

E

K

K

I

V

N

V

L

A

S

K

H

G

A

E

E

D

-

A

-

L

-

P

-

A

S

L

H

L

L

P

D

E

E

A

F

G

D

L

I

I

I

N

N

A

T

T

T

S

-

L

-

G

-

L

-

G

-

A

-

G

-

P

P

S

V

A

I

D

S

L

L

T

N

L

R

T

L

P

A

K

S

T

H

A

T

V

L

V

V

M

S

D

D

M

I

V

V

Y

Y

K

N

P

P

L

Y

R

K

T

T

E

P

F

I

L

L

R

I

R

E

A

A

E

E

A

Q

A

R

G

G

R

N

R

P

T

I

V

Y

D

N

G

G

L

L

E

D

M

M

L
x
F

L

V

R

H

Q
|
Q

A

G

I

A

P

E

T

S

F

F

E

K

T

I

I

W

Y

T

G

N

Q

L

A

E

P

P

S

D

P

I

K

K

I

A

D

M

V

K

R

N

V

I

L

V

A

I

L

Q

K

K

L

L

L

K

G

G

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: V5 (= V14), S13 (= S22), S15 (= S24), N58 (= N67), V59 (= V68), T60 (= T69), K64 (= K73), N85 (= N94), D100 (= D110), F227 (≠ L252), Q230 (= Q255)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
32% identity, 89% coverage: 13:266/285 of query aligns to 11:273/288 of 1npdB

query
sites
1npdB

G

G

V

L

C

M

G

A

Q

Y

P

P

I

I

K

R

H

H

S

S

M

L

S

S

P

P

V

E

I

M

H

Q

N

N

A

K

W

A

I

L

A

E

A

K

A

A

G

G

L

L

D

P

A

F

A

T

Y

Y

V

M

P

A

F

F

A

E

P

V

A

D

A

N

D

D

R

S

F

F

E

P

T

G

F

A

V

I

D

E

G

G

L

L

R

K

G

A

G

L

A

K

V

M

R

R

G

G

L

T

N

G

V

V

T

S

I

M

P

P

F

N

K

K

E

Q

R

L

A

A

L

C

A

E

V

Y

A

V

D

D

T

E

A

L

S

T

D

P

L

A

A

A

R

K

M

L

A

V

G

G

A

A

A

I

N

N

L

T

L

I

V

V

F

-

N

N

E

D

D

D

G

G

S

Y

V

L

H

R

A

G

D

Y

N

N

T

T

D
|
D

G

G

P

T

G

G

L

H

L

I

G

R

A

-

I

-

A

A

I

I

Q

K

A

E

P

S

G

G

F

F

D

D

V

I

T

K

A

G

A

K

P

T

V

M

V

V

I

L

L

L

G
|
G

A
|
A

G
|
G

A
|
A

-

S

-

T

-

A

-

I

-

G

A

A

R

Q

G

G

A

A

V

I

A

E

A

G

L

L

L

K

-

E

-

I

-

K

-

L

-

F

-
x
N

-
x
R

-

R

-
x
D

-

E

-
x
F

-

F

-

D

-

K

-

A

L

L

A

A

G

F

A

A

P

Q

R

R

I

V

A

N

V

E

V

N

N

T

R

D

T

C

V

V

A

V

R

T

A

V

Q

T

D

D

L

L

A

A

D

D

T

-

F

-

G

-

E

-

K

-

V

-

A

-

K

-

G

-

E

Q