SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AO356_27475 FitnessBrowser__pseudo5_N2C3_1:AO356_27475 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)

4k28A 2.15 angstrom resolution crystal structure of a shikimate dehydrogenase family protein from pseudomonas putida kt2440 in complex with NAD+ (see paper)
33% identity, 95% coverage: 7:267/274 of query aligns to 2:266/266 of 4k28A

query
sites
4k28A

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binding manganese (ii) ion: C153 (≠ S158), C164 (≠ V169), V176 (= V180), F180 (≠ P184)
binding nicotinamide-adenine-dinucleotide: I129 (= I134), G130 (= G135), G132 (= G137), G133 (= G138), V134 (≠ S139), C153 (≠ S158), D154 (= D159), P155 (≠ L160), R159 (= R164), S193 (≠ T197), P194 (= P198), V222 (≠ I223), G245 (= G246), M248 (= M249), A249 (≠ H250)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
30% identity, 93% coverage: 5:259/274 of query aligns to 2:248/267 of 2hk9B

query
sites
2hk9B

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binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ M71), G130 (= G135), G133 (= G138), A134 (≠ S139), N153 (≠ S158), R154 (= R164), T155 (≠ A165), K158 (≠ L168), T188 (= T197), S189 (≠ P198), V190 (≠ L199), I214 (= I223), M238 (= M249), L239 (≠ H250)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (≠ A22), S21 (= S24), N64 (≠ L68), T66 (= T70), K70 (= K74), N91 (= N95), D106 (= D111), Y216 (≠ T225), L239 (≠ H250), Q242 (= Q253)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
30% identity, 93% coverage: 5:259/274 of query aligns to 2:248/269 of 2hk9A

query
sites
2hk9A

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binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ M71), G132 (= G137), G133 (= G138), A134 (≠ S139), N153 (≠ S158), R154 (= R164), T155 (≠ A165), T188 (= T197), S189 (≠ P198), V190 (≠ L199)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (≠ A22), S21 (= S24), N64 (≠ L68), K70 (= K74), N91 (= N95), D106 (= D111), Y216 (≠ T225), L239 (≠ H250), Q242 (= Q253)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
31% identity, 99% coverage: 4:274/274 of query aligns to 8:289/291 of 3tozA

query
sites
3tozA

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binding nicotinamide-adenine-dinucleotide: G137 (= G135), A138 (= A136), G139 (= G137), G140 (= G138), A141 (≠ S139), N161 (vs. gap), R162 (vs. gap), D164 (= D159), F166 (≠ D161), T210 (= T197), G211 (≠ P198), V212 (≠ L199), M214 (= M201), F217 (≠ D204), V238 (≠ I223), Y240 (≠ T225), G261 (= G246), M264 (= M249), M265 (≠ H250)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
31% identity, 99% coverage: 4:274/274 of query aligns to 8:289/291 of Q8Y9N5

query
sites
Q8Y9N5

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P

P

H

N

K

K

Q

T

S

N

M

I

L

H

D

K

I

Y

V

L

D

D

E

K

L

L

H

S

P

P

T

A

A

A

R

E

Q

L

I

V

G

G

A

A

I

V

N

N

V

T

V

V

R

-

C

V

D

N

N

D

D

D

G

G

R

V

W

L

V

T

G

G

A

H

V

I

F

T

D

D

G

G

L

T

G

G

C

Y

V

M

A

R

G

A

M

L

Q

K

R

E

H

A

G

G

I

H

S

D

L

I

V

I

G

G

K

K

S

K

V

M

L

T

L

I

I

C

G

G

A

A

G

G

S

A

G

A

R

T

A

A

I

I

A

C

F

I

A

Q

V

A

A

A

A

L

A

D

G

G

A

V

R

K

S

E

L

I

V

S

I

I

-

F

-
x
N

-
x
R

S
x
K

D
|
D

L

D

D

F

P

Y

Q

A

R

N

A

A

S

E

D

K

L

T

V

V

H

E

R

K

V

I

A

N

K

S

E

K

G

T

P

D

C

C

A

K

V

A

Y

Q

T

L

G

-

P

-

A

F

D

D

P

I

A

E

G

D

H

H

D

E

-

Q

-

L

-

R

-

K

-

E

-

I

-

A

-

E

-

S

-

V

I

I

V

F

I

T

N

N

A

A

T

T

P

G

L

V

G

G

M
|
M

N

K

P

P

D

F

D

E

P

G

M

E

P

T

I

L

-

L

-

P

D

S

A

A

T

D

R

M

L

L

D

R

P

P

A

E

T

L

V

I

V

V

V

S

D

D

I

V

T

Y

R

K

S

P

E

T

P

K

T

T

A

R

L

L

L

E

E

I

A

A

Q

E

S

E

R

Q

G

G

C

C

Q

Q

T

T

L

L

D

N

G

G

Q

L

P

G

M

M

H

M

V

L

G

W

Q

Q

A

G

L

A

L

K

A

A

L

F

S

E

F

I

L

W

G

T

F

H

E

K

D

E

I

M

E

P

R

V

R

D

Y

Y

S

I

T

K

E

E

L

I

SLS 26:28 (≠ AKS 22:24) binding
NRKD 161:164 (≠ --SD 158:159) binding
M214 (= M201) binding

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
31% identity, 99% coverage: 4:274/274 of query aligns to 5:286/288 of 3tnlA

query
sites
3tnlA

R

R

I

I

T

T

G

G

T

H

T

T

R

E

I

L

Y

I

G

G

L

L

I

I

G

A

D

T

P

P

L

I

R

R

S

H

A
x
S

K

L

S
|
S

P

P

M

T

L

M

L

H

N

N

K

E

L

A

F

F

A

A

E

K

A

L

Q

G

A

L

D

D

A

Y

V

V

C

Y

I

L

P

A

L

F

E

E

I

V

G

G

T

D

G

K

D

E

L

L

V

K

E

D

F

V

V

V

K

Q

G

G

V

F

R

R

A

A

V

M

R

-

N

N

L

L

S

R

G

G

L

W

L
x
N

V

V

T
x
S

M
|
M

P

P

H

N

K
|
K

Q

T

S

N

M

I

L

H

D

K

I

Y

V

L

D

D

E

K

L

L

H

S

P

P

T

A

A

A

R

E

Q

L

I

V

G

G

A

A

I

V

N
|
N

V

T

V

V

R

-

C

V

D

N

N

D

D

D

G

G

R

V

W

L

V

T

G

G

A

H

V

I

F

T

D
|
D

G

G

L

T

G

G

C

Y

V

M

A

R

G

A

M

L

Q

K

R

E

H

A

G

G

I

H

S

D

L

I

V

I

G

G

K

K

S

K

V

M

L

T

L

I

I

C

G
|
G

A
|
A

G
|
G

S
x
A

G

A

R

T

A

A

I

I

A

C

F

I

A

Q

V

A

A

A

A

L

A

D

G

G

A

V

R

K

S

E

L

I

V

S

I

I

-

F

-
x
N

-
x
R

S

K

D
|
D

L

D

D
x
F

P

Y

Q

A

R

N

A

A

S

E

D

K

L

T

V

V

H

E

R

K

V

I

A

N

K

S

E

K

G

T

P

D

C

C

A

K

V

A

Y

Q

T

L

G

-

P

-

A

F

D

D

P

I

A

E

G

D

H

H

D

E

-

Q

-

L

-

R

-

K

-

E

-

I

-

A

-

E

-

S

-

V

I

I

V

F

I

T

N

N

A

A

T
|
T

P

G

L
x
V

G

G

M
|
M

N

K

P

P

D
x
F

D

E

P

G

M

E

P

T

I

L

-

L

-

P

D

S

A

A

T

D

R

M

L

L

D

R

P

P

A

E

T

L

V

I

V

V

V

S

D

D

I
x
V

I

V

T
x
Y

R

K

S

P

E

T

P

K

T

T

A

R

L

L

L

E

E

I

A

A

Q

E

S

E

R

Q

G

G

C

C

Q

Q

T

T

L

L

D

N

G

G

Q

L

P

G

M
|
M

H
x
M

V

L

G

W

Q
|
Q

A

G

L

A

L

K

A

A

L

F

S

E

F

I

L

W

G

T

F

H

E

K

D

E

I

M

E

P

R

V

R

D

Y

Y

S

I

T

K

E

E

L

I

binding nicotinamide-adenine-dinucleotide: M71 (= M71), G134 (= G135), A135 (= A136), G136 (= G137), G137 (= G138), A138 (≠ S139), N158 (vs. gap), R159 (vs. gap), D161 (= D159), F163 (≠ D161), T207 (= T197), V209 (≠ L199), M211 (= M201), F214 (≠ D204), V235 (≠ I223), Y237 (≠ T225), M261 (= M249), M262 (≠ H250)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (≠ A22), S25 (= S24), N68 (≠ L68), S70 (≠ T70), K74 (= K74), N95 (= N95), D110 (= D111), Q265 (= Q253)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
30% identity, 93% coverage: 5:259/274 of query aligns to 2:248/269 of O67049

query
sites
O67049

I

I

T

N

G

A

T

Q

T

T

R

Q

I

L

Y

Y

G

G

L

V

I

I

G

G

D

F

P

P

L

V

R

K

S

H

A
x
S

K
x
L

S
|
S

P

P

M

V

L

F

L

Q

N

N

K

A

L

L

F

I

A

R

E

Y

A

A

Q

G

A

L

D

N

A

A

V

V

C

Y

I

L

P

A

L

F

E

E

I

I

G

N

T

P

G

E

D

E

L

L

V

K

E

K

F

A

V

F

K

E

G

G

V

F

R

K

A

A

V

L

R

K

N

-

L

V

S

K

G

G

L

I

L

N

V

V

T

T

M

V

P

P

H

F

K

K

Q

E

S

E

M

I

L

I

D

P

I

L

V

L

D

D

E

Y

L

V

H

E

P
x
D

T

T

A

A

R

K

Q

E

I

I

G

G

A

A

I

V

N
|
N

V

T

V

V

R

K

C

F

D

E

N

N

D

-

G

G

R

K

W

A

V

Y

G

G

A

Y

V

N

F

T

D
|
D

G

W

L

I

G

G

C

F

V

L

A

K

G

S

M

L

Q

K

R

S

H

L

G

I

I

P

S

E

L

V

V

K

G

E

K

K

S

S

V

I

L

L

L

V

I

L

G
|
G

A
|
A

G
|
G

S
x
A

G

S

R

R

A

A

I

V

A

I

F

Y

A

A

V

L

A

V

A

K

A

E

G

G

A

A

R

K

S

V

L

F

V

L

I

W

S

N

D

-

L

-

D

-

P

-

Q

-

R

R

A

T

S

K

D

E

L

K

V

A

H

I

R

K

V

L

A

A

K

Q

E

K

G

F

P

P

C

L

A

E

V

V

Y

V

T

N

G

S

P

P

A

E

D

E

P

V

A

I

G

D

H

K

-

V

D

Q

I

V

V

I

I

V

N

N

A

T

T

T

P

S

L

V

G

G

M

L

N

K

P

D

D

K

D

D

P

P

M

E

P

I

I

F

D

N

A

Y

T

D

R

L

L

I

D

K

P

K

A

D

T

H

V

V

D

D

I
|
I

I

I

T
x
Y

R

K

S

E

E

-

P

-

T

T

A

K

L

L

L

K

E

K

A

A

Q

K

S

E

R

K

G

G

C

A

Q

K

T

L

L

F

D

D

G
|
G

Q

L

P

P

M

M

H

L

V

L

G

W

Q
|
Q

A

G

L

I

L

E

A

A

L

F

S

K

SLS 19:21 (≠ AKS 22:24) binding
D82 (≠ P86) binding
N91 (= N95) binding
D106 (= D111) binding
GAGGA 130:134 (≠ GAGGS 135:139) binding
I214 (= I223) binding
Y216 (≠ T225) binding
G235 (= G246) binding
Q242 (= Q253) binding

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
29% identity, 99% coverage: 5:274/274 of query aligns to 3:283/288 of 1npdB

query
sites
1npdB

I

V

T

T

G

A

T

K

T

Y

R

E

I

L

Y

I

G

G

L

L

I

M

G

A

D

Y

P

P

L

I

R

R

S

H

A

S

K

L

S

S

P

P

M

E

L

M

L

Q

N

N

K

K

L

A

F

L

A

E

E

K

A

A

Q

G

A

L

D

P

A

F

V

T

C

Y

I

M

P

A

L

F

E

E

I

V

G

D

T

N

G

D

D

S

L

F

V

P

E

G

F

A

V

I

K

E

G

G

V

L

R

K

A

A

V

L

R

K

N

-

L

M

S

R

G

G

L

T

L

G

V

V

T

S

M

M

P

P

H

N

K

K

Q

Q

S

L

M

A

L

C

D

E

I

Y

V

V

D

D

E

E

L

L

H

T

P

P

T

A

A

A

R

K

Q

L

I

V

G

G

A

A

I

I

N

N

V

T

V

I

R

-

C

V

D

N

N

D

D

D

G

G

R

Y

W

L

V

R

G

G

A

Y

V

N

F

T

D

D

G

G

L

T

G

G

C

H

V

I

A

R

G

A

M

I

Q

K

R

E

H

S

G

G

I

F

S

D

L

I

V

K

G

G

K

K

S

T

V

M

L

V

L

L

I

L

G

G

A
|
A

G
|
G

S
x
A

G

S

R

T

A

A

I

I

A

G

F

A

A

Q

V

G

A

A

A

I

A

E

G

G

A

L

R

K

S

E

L

I

V

K

I

L

S

F

D
x
N

L
x
R

D

R

P
x
D

Q

E

-
x
F

-

F

-

D

R

K

A

A

S

L

D

A

L

F

V

A

H

Q

R

R

V

V

A

N

K

E

E

N

G

T

P

D

C

C

A

V

V

V

-

T

Y

V

T

T

G

D

P

L

A

A

D

D

P

Q

-

Q

-

A

-

F

-

A

-

E

-

A

-

L

A

A

G

S

H

A

D

D

I

I

V

L

I

T

N

N

A

G

T
|
T

P
x
K

L
x
V

G

G

M
|
M

N

K

P

P

-

L

-

E

D

N

D

E

P

S

M

L

P

V

I

N

D

D

A

I

T

S

R

L

L

L

D

H

P

P

A

G

T

L

V

L

V

V

V

T

D

E

I
x
C

I

V

T

Y

R

N

S

P

E

H

P

M

T

T

A

K

L

L

L

Q

E

Q

A

A

Q

Q

S

Q

R

A

G

G

C

C

Q

K

T

T

L

I

D

D

G

G

Q

Y

P

G

M
|
M

H
x
L

V

L

G

W

Q

Q

A

G

L

A

L

E

A

Q

L

F

S

T

F

L

L

W

G

T

F

G

E

K

D

D

I

F

E

P

R

L

R

E

Y

Y

S

V

T

K

E

Q

L

V

binding nicotinamide-adenine-dinucleotide: A132 (= A136), G133 (= G137), G134 (= G138), A135 (≠ S139), N155 (≠ D159), R156 (≠ L160), D158 (≠ P162), F160 (vs. gap), T204 (= T197), K205 (≠ P198), V206 (≠ L199), M208 (= M201), C232 (≠ I223), M258 (= M249), L259 (≠ H250)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
29% identity, 99% coverage: 5:274/274 of query aligns to 3:283/288 of P0A6D5

query
sites
P0A6D5

I

V

T

T

G

A

T

K

T

Y

R

E

I

L

Y

I

G

G

L

L

I

M

G

A

D

Y

P

P

L

I

R

R

S

H

A

S

K

L

S
|
S

P

P

M

E

L

M

L

Q

N

N

K

K

L

A

F

L

A

E

E

K

A

A

Q

G

A

L

D

P

A

F

V

T

C
x
Y

I

M

P

A

L

F

E

E

I

V

G

D

T

N

G

D

D

S

L

F

V

P

E

G

F

A

V

I

K

E

G

G

V

L

R

K

A

A

V

L

R

K

N

-

L

M

S

R

G

G

L

T

L

G

V

V

T
x
S

M

M

P

P

H

N

K
|
K

Q

Q

S

L

M

A

L

C

D

E

I

Y

V

V

D

D

E

E

L

L

H

T

P

P

T

A

A

A

R

K

Q

L

I

V

G

G

A

A

I

I

N
|
N

V

T

V

I

R

-

C

V

D

N

N

D

D

D

G

G

R

Y

W

L

V

R

G

G

A

Y

V

N

F
x
T

D
|
D

G

G

L

T

G

G

C

H

V

I

A

R

G

A

M

I

Q

K

R

E

H

S

G

G

I

F

S

D

L

I

V

K

G

G

K

K

S

T

V

M

L

V

L

L

I

L

G

G

A
|
A

G
|
G

S
x
A

G

S

R

T

A

A

I

I

A

G

F

A

A

Q

V

G

A

A

A

I

A

E

G

G

A

L

R

K

S

E

L

I

V

K

I

L

S

F

D
x
N

L
x
R

D
x
R

P
x
D

Q

E

-

F

-

D

R

K

A

A

S

L

D

A

L

F

V

A

H

Q

R

R

V

V

A

N

K

E

E

N

G

T

P

D

C

C

A

V

V

V

-

T

Y

V

T

T

G

D

P

L

A

A

D

D

P

Q

-

Q

-

A

-

F

-

A

-

E

-

A

-

L

A

A

G

S

H

A

D

D

I

I

V

L

I

T

N

N

A

G

T

T

P
x
K

L

V

G

G

M

M

N

K

P

P

-

L

-

E

D

N

D

E

P

S

M

L

P

V

I

N

D

D

A

I

T

S

R

L

L

L

D

H

P

P

A

G

T

L

V

L

V

V

V

T

D

E

I
x
C

I
x
V

T
x
Y

R
x
N

S

P

E

H

P

M

T

T

A

K

L

L

L

Q

E

Q

A

A

Q

Q

S

Q

R

A

G

G

C

C

Q

K

T

T

L

I

D

D

G
|
G

Q

Y

P

G

M

M

H

L

V

L

G

W

Q
|
Q

A

G

L

A

L

E

A

Q

L

F

S

T

F

L

L

W

G

T

F

G

E

K

D

D

I

F

E

P

R

L

R

E

Y

Y

S

V

T

K

E

Q

L

V

S22 (= S24) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (≠ C41) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T70) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K74) mutation to A: 3200-fold decrease in the affinity for quinate. 170-fold decrease in the affinity for shikimate.; mutation to G: 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
N92 (= N95) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (≠ F110) mutation to A: 2000-fold decrease in the affinity for quinate. 70-fold decrease in the affinity for shikimate. 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
D107 (= D111) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (≠ AGGS 136:139) binding
NRRD 155:158 (≠ DLDP 159:162) binding
K205 (≠ P198) binding
CVYN 232:235 (≠ IITR 223:226) binding
G255 (= G246) binding
Q262 (= Q253) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
29% identity, 97% coverage: 10:274/274 of query aligns to 2:277/280 of 1o9bA

query
sites
1o9bA

R

E

I

L

Y

I

G

G

L

L

I

M

G

A

D

Y

P

P

L

I

R

R

S

H

A

S

K

L

S

S

P

P

M

E

L

M

L

Q

N

N

K

K

L

A

F

L

A

E

E

K

A

A

Q

G

A

L

D

P

A

F

V

T

C

Y

I

M

P

A

L

F

E

E

I

V

G

D

T

N

G

D

D

S

L

F

V

P

E

G

F

A

V

I

K

E

G

G

V

L

R

K

A

A

V

L

R

K

N

-

L

M

S

R

G

G

L

T

L

G

V

V

T

S

M

M

P

P

H

N

K

K

Q

Q

S

L

M

A

L

C

D

E

I

Y

V

V

D

D

E

E

L

L

H

T

P

P

T

A

A

A

R

K

Q

L

I

V

G

G

A

A

I

I

N

N

V

T

V

I

R

-

C

V

D

N

N

D

D

D

G

G

R

Y

W

L

V

R

G

G

A

Y

V

N

F

T

D

D

G

G

L

T

G

G

C

H

V

I

A

R

G

A

M

I

Q

K

R

E

H

S

G

G

I

F

S

D

L

I

V

K

G

G

K

K

S

T

V

M

L

V

L

L

I

L

G

G

A
|
A

G
|
G

S
x
A

G

S

R

T

A

A

I

I

A

G

F

A

A

Q

V

G

A

A

A

I

A

E

G

G

A

L

R

K

S

E

L

I

V

K

I

L

S

F

D

N

L
x
R

D

R

P

D

Q

E

-
x
F

-

F

-

D

R

K

A

A

S

L

D

A

L

F

V

A

H

Q

R

R

V

V

A

N

K

E

E

N

G

T

P

D

C

C

A

V

V

V

-

T

Y

V

T

T

G

D

P

L

A

A

D

D

P

Q

-

Q

-

A

-

F

-

A

-

E

-

A

-

L

A

A

G

S

H

A

D

D

I

I

V

L

I

T

N

N

A

G

T

T

P
x
K

L
x
V

G

G

M
|
M

N

K

P

P

-

L

-

E

D

N

D

E

P

S

M

L

P

V

I

N

D

D

A

I

T

S

R

L

L

L

D

H

P

P

A

G

T

L

V

L

V

V

V

T

D

E

I
x
C

I

V

T
x
Y

R

N

S

P

E

H

P

M

T

T

A

K

L

L

L

Q

E

Q

A

A

Q

Q

S

Q

R

A

G

G

C

C

Q

K

T

T

L

I

D

D

G

G

Q

Y

P

G

M
|
M

H
x
L

V

L

G

W

Q

Q

A

G

L

A

L

E

A

Q

L

F

S

T

F

L

L

W

G

T

F

G

E

K

D

D

I

F

E

P

R

L

R

E

Y

Y

S

V

T

K

E

Q

L

V

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A136), G127 (= G137), G128 (= G138), A129 (≠ S139), R150 (≠ L160), F154 (vs. gap), K199 (≠ P198), V200 (≠ L199), M202 (= M201), C226 (≠ I223), Y228 (≠ T225), M252 (= M249), L253 (≠ H250)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
27% identity, 93% coverage: 12:267/274 of query aligns to 3:251/269 of Q5HNV1

query
sites
Q5HNV1

Y

F

G

A

L

V

I

I

G

G

D

N

P

P

L

I

R

S

S

H

A
x
S

K
x
L

S
|
S

P

P

M

L

L

M

-

H

-

A

-

N

L

F

N

Q

K

S

L

L

F

N

A

L

E

E

A

N

Q

T

A

Y

D

E

A

A

V

I

C

N

I

V

P

P

L

V

E

-

I

-

G

-

T

-

G

-

D

N

L

Q

V

F

E

Q

F

D

V

I

K

K

G

K

V

I

R

I

A

S

V

E

R

K

N

S

L

I

S

D

G

G

L

F

L

N

V

V

T
|
T

M

I

P

P

H

H

K

K

Q

E

S

R

M

I

L

I

D

P

I

Y

V

L

D

D

E

D

L

I

H

N

P

E

T

Q

A

A

R

K

Q

S

I

V

G

G

A

A

I

V

N
|
N

V

T

V

V

R

L

C

V

D

K

N

-

D

D

G

G

R

K

W

W

V

I

G

G

A

Y

V

N

F

T

D
|
D

G

G

L

I

G

G

C

Y

V

V

A

N

G

G

M

L

Q

K

R

Q

H

I

G

Y

I

E

S

G

L

I

V

E

G

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K

A

S

Y

V

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L

L

L

I

I

L

G

G

A

A

G

G

S

A

G

S

R

K

A

G

I

I

A

A

F

N

A

E

V

L

A

Y

A

K

A

I

G

V

A

R

R

P

S

T

L

L

V

T

I

V

S

A

D

N

L

R

D

T

P

M

Q

S

R

R

A

F

S

N

D

N

L

W

V

S

H

L

R

N

V

I

A

N

K

K

E

-

G

-

P

-

C

I

A

N

V

L

Y

S

T

H

G

A

P

E

A

S

D

H

P

L

A

D

G

E

H

F

D

D

I

I

V

I

I

I

N

N

A

T

T

T

P

P

L

A

G

G

M

M

N

N

P

G

D

N

D

T

P

D

M

S

P

V

I

I

D

S

A

L

T

N

R

R

L

L

D

A

P

S

A

H

T

T

V

L

V

V

V

S

D

D

I

I

I

V

T
x
Y

R

N

S

P

E

Y

P

K

T

T

A

P

L

I

L

L

L

I

E

E

A

A

Q

E

S

Q

R

R

G

G

C

N

Q

P

T

I

L

Y

D

N

G

G

Q

L

P

D

M

M

H

F

V

V

G

H

Q
|
Q

A

G

L

-

A

A

L

E

S

S

F

F

L

K

G

I

F

W

E

T

D

N

I

L

E

E

SLS 13:15 (≠ AKS 22:24) binding
T60 (= T70) binding
N85 (= N95) binding
D100 (= D111) binding
Y211 (≠ T225) 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

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)
31% identity, 93% coverage: 5:259/274 of query aligns to 2:260/282 of Q58484

query
sites
Q58484

I

I

T

N

G

A

T

K

T

T

R

K

I

V

Y

I

G

G

L

L

I

I

G

G

D

H

P

P

L

V

R

E

S

H

A

S

K

F

S

S

P

P

M

I

L

M

L

H

N

N

K

A

L

A

F

F

A

K

E

D

A

K

Q

G

A

L

D

N

A

Y

V

V

C

Y

I

V

P

A

L

F

E

D

I

V

G

L

T

P

G

E

D

N

L

L

V

K

E

Y

F

V

V

I

K

D

G

G

V

A

R

K

A

A

V

L

R

-

N

G

L

I

S

V

G

G

L

F

L

N

V

V

T

T

M

I

P

P

H

H

K

K

Q

I

S

E

M

I

L

M

D

K

I

Y

V

L

D

D

E

E

L

I

H

D

P

K

T

D

A

A

R

Q

Q

L

I

I

G

G

A

A

I

V

N

N

V

T

V

I

R

K

C

I

D

E

N

-

D

D

G

G

R

K

W

A

V

I

G

G

A

Y

V

N

F

T

D

D

G

G

L

I

G

G

C

A

V

R

A

M

G

A

M

L

Q

E

R

E

H

E

G

I

I

G

S

R

L

V

V

K

G

D

K

K

S

N

V

I

L

V

L

I

I

Y

G
|
G

A
|
A

G
|
G

S
x
A

G

A

R

R

A

A

I

V

A

A

F

F

A

E

V

L

A

A

A

K

A

-

G

-

A

D

R

N

S

N

L

I

V

I

I

I

S

A

D
x
N

L
x
R

D
x
T

P
x
V

Q
x
E

R
x
K

A

A

S

E

D

A

L

L

V

A

H

K

R

E

V

I

A

A

-

E

-

K

-

L

-

N

-

K

K

K

E

F

G

G

P

E

C

E

A

V

V

K

Y

F

T

S

G

G

-

L

P

D

A

V

D

D

P

L

A

D

G

G

H

V

D

D

I

I

V

I

I

I

N

N

A

A

T
|
T

P

P

L

I

G

G

M
|
M

N

Y

P

P

D

N

-

I

D

D

P

V

M

E

P

P

I

I

-

V

D

K

A

A

T

E

R

K

L

L

D

R

P

E

A

D

T

M

V

V

V

M

D

D

I
x
L

I

I

T

Y

R

N

S

P

E

L

P

E

T

T

A

V

L

L

L

K

E

E

A

A

Q

K

S

K

R

V

G

N

C

A

Q

K

T

T

L

I

D

N

G

G

Q

L

P

G

M

M

H

L

V

I

G

Y

Q

Q

A

G

L

A

L

V

A

A

L

F

S

K

GAGGA 130:134 (≠ GAGGS 135:139) binding
NRTVEK 152:157 (≠ DLDPQR 159:164) binding
T196 (= T197) binding
M200 (= M201) binding
L224 (≠ I223) binding

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
31% identity, 93% coverage: 5:259/274 of query aligns to 7:265/287 of 1nvtB

query
sites
1nvtB

I

I

T

N

G

A

T

K

T

T

R

K

I

V

Y

I

G

G

L

L

I

I

G

G

D

H

P

P

L

V

R
x
E

S
x
H

A

S

K

F

S

S

P

P

M

I

L

M

L

H

N

N

K

A

L

A

F

F

A

K

E

D

A

K

Q

G

A

L

D

N

A

Y

V

V

C

Y

I

V

P

A

L

F

E

D

I

V

G

L

T

P

G

E

D

N

L

L

V

K

E

Y

F

V

V

I

K

D

G

G

V

A

R

K

A

A

V

L

R

-

N

G

L

I

S

V

G

G

L

F

L

N

V

V

T

T

M
x
I

P

P

H

H

K
|
K

Q

I

S

E

M

I

L

M

D

K

I

Y

V

L

D

D

E

E

L

I

H

D

P

K

T

D

A

A

R

Q

Q

L

I

I

G

G

A

A

I

V

N

N

V

T

V

I

R

K

C

I

D

E

N

-

D

D

G

G

R

K

W

A

V

I

G

G

A

Y

V

N

F

T

D
|
D

G

G

L

I

G

G

C

A

V

R

A

M

G

A

M

L

Q

E

R

E

H

E

G

I

I

G

S

R

L

V

V

K

G

D

K

K

S

N

V

I

L

V

L

I

I

Y

G
|
G

A

A

G
|
G

S
x
A

G

A

R

R

A

A

I

V

A

A

F

F

A

E

V

L

A

A

A

K

A

-

G

-

A

D

R

N

S

N

L

I

V

I

I

I

S

A

D
x
N

L
x
R

D
x
T

P

V

Q

E

R
x
K

A

A

S

E

D

A

L

L

V

A

H

K

R

E

V

I

A

A

-

E

-

K

-

L

-

N

-

K

K

K

E

F

G

G

P

E

C

E

A

V

V

K

Y

F

T

S

G

G

-

L

P

D

A

V

D

D

P

L

A

D

G

G

H

V

D

D

I

I

V

I

I

I

N

N

A
|
A

T
|
T

P
|
P

L
x
I

G

G

M
|
M

N

Y

P

P

D

N

-

I

D

D

P

V

M

E

P

P

I

I

-

V

D

K

A

A

T

E

R

K

L

L

D

R

P

E

A

D

T

M

V

V

V

M

D

D

I
x
L

I

I

T
x
Y

R

N

S

P

E

L

P

E

T

T

A

V

L

L

L

K

E

E

A

A

Q

K

S

K

R

V

G

N

C

A

Q

K

T

T

L

I

D

N

G

G

Q

L

P

G

M
|
M

H
x
L

V

I

G

Y

Q

Q

A

G

L

A

L

V

A

A

L

F

S

K

active site: K75 (= K74), D111 (= D111)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ M71), G135 (= G135), G137 (= G137), G138 (= G138), A139 (≠ S139), N157 (≠ D159), R158 (≠ L160), T159 (≠ D161), K162 (≠ R164), A200 (= A196), T201 (= T197), P202 (= P198), I203 (≠ L199), M205 (= M201), L229 (≠ I223), Y231 (≠ T225), M255 (= M249), L256 (≠ H250)
binding zinc ion: E22 (≠ R20), H23 (≠ S21)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
31% identity, 93% coverage: 5:259/274 of query aligns to 7:265/287 of 1nvtA

query
sites
1nvtA

I

I

T

N

G

A

T

K

T

T

R

K

I

V

Y

I

G

G

L

L

I

I

G

G

D

H

P

P

L

V

R

E

S

H

A

S

K

F

S

S

P

P

M

I

L

M

L

H

N

N

K

A

L

A

F

F

A

K

E

D

A

K

Q

G

A

L

D

N

A

Y

V

V

C

Y

I

V

P

A

L

F

E

D

I

V

G

L

T

P

G

E

D

N

L

L

V

K

E

Y

F

V

V

I

K

D

G

G

V

A

R

K

A

A

V

L

R

-

N

G

L

I

S

V

G

G

L

F

L

N

V

V

T

T

M

I

P

P

H

H

K
|
K

Q

I

S

E

M

I

L

M

D

K

I

Y

V

L

D

D

E

E

L

I

H

D

P

K

T

D

A

A

R

Q

Q

L

I

I

G

G

A

A

I

V

N

N

V

T

V

I

R

K

C

I

D

E

N

-

D

D

G

G

R

K

W

A

V

I

G

G

A

Y

V

N

F

T

D
|
D

G

G

L

I

G

G

C

A

V

R

A

M

G

A

M

L

Q

E

R

E

H

E

G

I

I

G

S

R

L

V

V

K

G

D

K

K

S

N

V

I

L

V

L

I

I

Y

G
|
G

A

A

G

G

S
x
A

G

A

R

R

A

A

I

V

A

A

F

F

A

E

V

L

A

A

A

K

A

-

G

-

A

D

R

N

S

N

L

I

V

I

I

I

S

A

D
x
N

L
x
R

D
x
T

P

V

Q

E

R
x
K

A

A

S

E

D

A

L

L

V

A

H

K

R

E

V

I

A

A

-

E

-

K

-

L

-

N

-

K

K

K

E

F

G

G

P

E

C

E

A

V

V

K

Y

F

T

S

G

G

-

L

P

D

A

V

D

D

P

L

A

D

G

G

H

V

D

D

I

I

V

I

I

I

N

N

A
|
A

T
|
T

P
|
P

L
x
I

G

G

M
|
M

N

Y

P

P

D

N

-

I

D

D

P

V

M

E

P

P

I

I

-

V

D

K

A

A

T

E

R

K

L

L

D

R

P

E

A

D

T

M

V

V

V

M

D

D

I
x
L

I

I

T
x
Y

R

N

S

P

E

L

P

E

T

T

A

V

L

L

L

K

E

E

A

A

Q

K

S

K

R

V

G

N

C

A

Q

K

T

T

L

I

D

N

G
|
G

Q

L

P

G

M
|
M

H
x
L

V

I

G

Y

Q

Q

A

G

L

A

L

V

A

A

L

F

S

K

active site: K75 (= K74), D111 (= D111)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G135), A139 (≠ S139), N157 (≠ D159), R158 (≠ L160), T159 (≠ D161), K162 (≠ R164), A200 (= A196), T201 (= T197), P202 (= P198), I203 (≠ L199), M205 (= M201), L229 (≠ I223), Y231 (≠ T225), G252 (= G246), M255 (= M249), L256 (≠ H250)

Q8ZPR4 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
31% identity, 91% coverage: 5:253/274 of query aligns to 3:262/288 of Q8ZPR4

query
sites
Q8ZPR4

I

V

T

T

G

A

T

K

T

Y

R

E

I

L

Y

I

G

G

L

L

I

M

G

A

D

Y

P

P

L

I

R

R

S

H

A

S

K

L

S

S

P

P

M

E

L

M

L

Q

N

N

K

K

L

A

F

L

A

E

E

K

A

A

Q

G

A

L

D

P

A

Y

V

T

C

Y

I

M

P

A

L

F

E

E

I

V

G

D

T

N

G

T

D

T

L

F

V

A

E

S

F

A

V

I

K

E

G

G

V

L

R

K

A

A

V

L

R

K

N

-

L

M

S

R

G

G

L

T

L

G

V

V

T

S

M

M

P

P

H

N

K

K

Q

Q

S

L

M

A

L

C

D

E

I

Y

V

V

D

D

E

E

L

L

H

T

P

P

T

A

A

A

R

K

Q

L

I

V

G

G

A

A

I

I

N

N

V

T

V

I

R

-

C

V

D

N

N

D

D

D

G

G

R

Y

W

L

V

R

G

G

A

Y

V

N

F

T

D

D

G

G

L

T

G

G

C

H

V

I

A

R

G

A

M

I

Q

K

R

E

H

S

G

G

I

F

S

D

L

M

V

R

G

G

K

K

S

T

V

M

L

V

L

L

I

L

G

G

A
|
A

G
|
G

S
x
A

G

A

R

T

A

A

I

I

A

G

F

A

A

Q

V

A

A

A

A

I

A

E

G

G

A

I

R

K

S

E

L

I

V

K

I

L

-

F

-
x
N

-
x
R

S
x
K

D
|
D

L

D

D

F

P

F

Q

E

R

K

A

A

S

V

D

A

L

F

V

A

H

K

R

R

V

V

A

N

K

E

E

N

G

T

P

D

C

C

A

V

V

V

-

T

Y

V

T

T

G

D

P

L

A

A

D

D

P

Q

-

H

-

A

-

F

-

T

-

E

-

A

-

L

A

A

G

S

H

A

D

D

I

I

V

L

I

T

N

N

A

G

T

T

P
x
K

L

V

G

G

M

M

N

K

P

P

-

L

-

E

D

N

D

E

P

S

M

L

P

I

I

G

D

D

A

V

T

S

R

L

L

L

D

R

P

P

A

E

T

L

V

L

V

V

V

T

D

E

I
x
C

I
x
V

T
x
Y

R
x
N

S

P

E

H

P

M

T

T

A

K

L

L

L

Q

E

Q

A

A

Q

Q

S

Q

R

A

G

G

C

C

Q

K

T

T

L

I

D

D

G
|
G

Q

Y

P

G

M

M

H

L

V

L

G

W

Q

Q

AGGA 132:135 (≠ AGGS 136:139) binding
NRKD 155:158 (≠ --SD 158:159) binding
K205 (≠ P198) binding
CVYN 232:235 (≠ IITR 223:226) binding
G255 (= G246) binding

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
26% identity, 93% coverage: 12:267/274 of query aligns to 3:242/258 of 3dooA

query
sites
3dooA

Y

F

G

A

L

V

I

I

G

G

D

N

P

P

L

I

R

S

S

H

A
x
S

K

L

S
|
S

P

P

M

L

L

M

-

H

-

A

-

N

L

F

N

Q

K

S

L

L

F

N

A

L

E

E

A

N

Q

T

A

Y

D

E

A

A

V

I

C

N

I

V

P

P

L

V

E

-

I

-

G

-

T

-

G

-

D

N

L

Q

V

F

E

Q

F

D

V

I

K

K

G

K

V

I

R

I

A

S

V

E

R

K

N

S

L

I

S

D

G

G

L

F

L
x
N

V

V

T
|
T

M

I

P

P

H

H

K
|
K

Q

E

S

R

M

I

L

I

D

P

I

Y

V

L

D

D

E

D

L

I

H

N

P

E

T

Q

A

A

R

K

Q

S

I

V

G

G

A

A

I

V

N
|
N

V

T

V

V

R

L

C

V

D

K

N

-

D

D

G

G

R

K

W

W

V

I

G

G

A

Y

V

N

F

T

D
|
D

G

G

L

I

G

G

C

Y

V

V

A

N

G

G

M

L

Q

K

R

Q

H

I

G

Y

I

E

S

G

L

I

V

E

G

D

K

A

S

Y

V

I

L

L

L

I

I

L

G

G

A

A

G

G

S

A

G

S

R

K

A

G

I

I

A

A

F

N

A

E

V

L

A

Y

A

K

A

I

G

V

A

R

R

P

S

T

L

L

V

T

I

V

S

A

D

N

L

R

D

T

P

M

Q

S

R

R

A

F

S

N

D

N

L

W

V

S

H

L

R

N

V

I

A

N

K

K

E

-

G

-

P

-

C

I

A

N

V

L

Y

S

T

H

G

A

P

E

A

S

D

H

P

L

A

D

G

E

H

F

D

D

I

I

V

I

I

I

N

N

A

T

T

T

P

P

L

V

G

-

M

-

N

-

P

-

D

-

P

-

M

-

P

-

I

I

D

S

A

L

T

N

R

R

L

L

D

A

P

S

A

H

T

T

V

L

V

V

V

S

D

D

I

I

I

V

T

Y

R

N

S

P

E

Y

P

K

T

T

A

P

L

I

L

L

L

I

E

E

A

A

Q

E

S

Q

R

R

G

G

C

N

Q

P

T

I

L

Y

D

N

G

G

Q

L

P

D

M

M

H
x
F

V

V

G

H

Q
|
Q

A

G

L

-

A

A

L

E

S

S

F

F

L

K

G

I

F

W

E

T

D

N

I

L

E

E

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (≠ A22), S15 (= S24), N58 (≠ L68), T60 (= T70), K64 (= K74), N85 (= N95), D100 (= D111), F227 (≠ H250), Q230 (= Q253)

2o7sA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
31% identity, 92% coverage: 4:254/274 of query aligns to 229:467/500 of 2o7sA

query
sites
2o7sA

R

R

I

I

T

G

G

P

T

D

T

T

R

K

I

V

Y

Y

G

G

L
x
I

I

I

G

G

D

K

P

P

L

V

R

S

S

H

A
x
S

K

K

S
|
S

P

P

M

I

L

V

L

H

N

N

K

Q

L

A

F

F

A

K

E

S

A

V

Q

D

A

F

D

N

A

G

V

V

C

Y

I

V

P

H

L

L

E

L

I

V

G

D

T

-

G

-

D

N

L

L

V

V

E

S

F

F

V

L

K

Q

G

A

V

Y

R

S

A

S

V

-

R

S

N

D

L

F

S

A

G

G

L

F

L

S

V

C

T
|
T

M
x
I

P
|
P

H

H

K
|
K

Q

E

S

A

M

A

L

L

D

Q

I

C

V

C

D

D

E

E

L

V

H

D

P

P

T

L

A

A

R

K

Q

S

I

I

G

G

A

A

I

V

N
|
N

-

T

V

I

V

L

R

R

C

R

D

K

N

S

D

D

G

G

R

K

W

L

V

L

G

G

A

Y

V

N

F

T

D
|
D

G

C

L

I

G

G

C

S

V

I

A

S

G

A

M

I

Q

E

R

D

H

-

G

-

I

-

S

-

L

-

V

-

G

G

K

L

S

T

V

V

L

V

I

I

G

G

A

A

G
|
G

S
x
A

G

G

R

K

A

A

I

L

A

A

F

Y

A

G

V

A

A

K

A

E

A

K

G

G

A

A

R

-

S

-

L

V

V

V

I

I

S

A

D
x
N

L
x
R

D
x
T

P

Y

Q

E

R
|
R

A

A

S

L

D

E

L

L

V

A

H

E

R

A

V

I

A

-

K

-

E

-

G

G

P

G

C

A

A

L

V

S

Y

L

T

T

G

D

P

L

A

D

D

N

P

Y

A

E

G

D

H

G

D

M

I

V

V

L

I

A

N

N

A

T

T
|
T

P
x
S

L
x
M

G

G

M

M

N

Q

P

P

D

N

-

V

D

E

P

E

M

T

P

P

I

I

D

S

A

K

T

D

R

A

L

L

D

K

P

H

A

Y

T

A

V

L

V

V

V

F

D

D

I
x
A

I

V

T
x
Y

R

T

S

P

E

R

P

I

T

T

A

R

L

L

L

R

E

E

A

A

Q

E

S

E

R

S

G

G

C

A

Q

I

T

T

L

V

D

S

G

G

Q

S

P

E

M
|
M

H
x
F

V

V

G

R

Q
|
Q

A

A

binding 3-dehydroshikimate: I239 (≠ L14), S247 (≠ A22), S249 (= S24), T292 (= T70), K296 (= K74), N317 (= N95), D334 (= D111), Y438 (≠ T225), Q466 (= Q253)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I293 (≠ M71), P294 (= P72), K296 (= K74), D334 (= D111), G354 (= G137), G355 (= G138), A356 (≠ S139), N374 (≠ D159), R375 (≠ L160), T376 (≠ D161), R379 (= R164), T409 (= T197), S410 (≠ P198), M411 (≠ L199), A436 (≠ I223), M462 (= M249), F463 (≠ H250)

Sites not aligning to the query:

active site: 70, 125, 152
binding 3-dehydroshikimate: 35, 152, 190, 202, 211, 212, 215, 470

Q9SQT8 Bifunctional 3-dehydroquinate dehydratase/shikimate dehydrogenase, chloroplastic; DHQ-SDH protein; DHQase-SORase; Protein EMBRYO DEFECTIVE 3004; EC 4.2.1.10; EC 1.1.1.25 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
30% identity, 92% coverage: 4:254/274 of query aligns to 318:579/603 of Q9SQT8

query
sites
Q9SQT8

R

R

I

I

T

G

G

P

T

D

T

T

R

K

I

V

Y

Y

G

G

L

I

I

I

G

G

D

K

P

P

L

V

R

S

S

H

A
x
S

K

K

S
|
S

P

P

M

I

L

V

L

H

N

N

K

Q

L

A

F

F

A

K

E

S

A

V

Q

D

A

F

D

N

A

G

V

V

C

Y

I

V

P

H

L

L

E

L

I

V

G

D

T

-

G

-

D

N

L

L

V

V

E

S

F

F

V

L

K

Q

G

A

V

Y

R

S

A

S

V

-

R

S

N

D

L

F

S

A

G

G

L

F

L

S

V

C

T
|
T

M

I

P

P

H

H

K
|
K

Q

E

S

A

M

A

L

L

D

Q

I

C

V

C

D

D

E

E

L

V

H

D

P

P

T

L

A

A

R

K

Q

S

I

I

G

G

A

A

I

V

N
|
N

-

T

V

I

V

L

R

R

C

R

D

K

N

S

D

D

G

G

R

K

W

L

V

L

G

G

A

Y

V

N

F

T

D
|
D

G

C

L

I

G

G

C

S

V

I

A

S

G

A

M

I

Q

E

-

D

-

G

-

L

-

R

-

S

-

G

-

D

-

P

-

S

-

V

-

P

R

S

H

S

G

S

I

S

S

P

L

L

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G

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K

S

T

V

V

L

V

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I

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G

A
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A

G

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G
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G

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x
A

G

G

R

K

A

A

I

L

A

A

F

Y

A

G

V

A

A

K

A

E

A

K

G

G

A

A

R

K

S

-

L

V

V

V

I

I

S

A

D
x
N

L

R

D
x
T

P

Y

Q

E

R
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R

A

A

S

L

D

E

L

L

V

A

H

E

R

A

V

I

A

G

K

G

E

K

G

A

P

L

C

S

A

L

V

T

Y

D

T

L

G

D

P

N

A

Y

D

H

P

P

A

E

G

D

H

G

D

M

I

V

V

L

I

A

N

N

A

T

T

T

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S

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M

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G

M
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M

N

Q

P

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N

-

V

D

E

P

E

M

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P

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I

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D

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A

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T

A

V

L

V

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F

D

D

I
x
A

I

V

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x
Y

R

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S

P

E

R

P

I

T

T

A

R

L

L

L

R

E

E

A

A

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E

S

E

R

S

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G

C

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G

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Q

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A

S336 (≠ A22) binding ; mutation to A: 13-fold decrease in substrate affinity but almost no change in activity.
S338 (= S24) binding ; mutation to A: 10-fold decrease in activity, and 9-fold decrease in substrate affinity.
T381 (= T70) binding
K385 (= K74) binding ; mutation to A: Strongly reduced shikimate dehydrogenase activity, but minor change in substrate affinity.; mutation to N: Strongly reduced shikimate dehydrogenase activity, but no change in substrate affinity.
N406 (= N95) binding
D423 (= D111) binding ; mutation to A: Loss of shikimate dehydrogenase activity.; mutation to N: Reduced shikimate dehydrogenase activity, but no change in substrate affinity.
A461 (= A136) binding
G463 (= G138) binding
A464 (≠ S139) binding
N483 (≠ D159) binding
T485 (≠ D161) binding
R488 (= R164) binding
M525 (= M201) binding
A548 (≠ I223) binding
Y550 (≠ T225) binding ; mutation Y->F,A: 100-fold decrease in activity, and 2-fold decrease in substrate affinity.
G571 (= G246) binding
Q578 (= Q253) binding

Sites not aligning to the query:

124 binding
126 binding
155 binding
241 binding
279 binding
300 binding
304 binding
582 binding

7colA Crystal structure of 5-ketofructose reductase complexed with NADPH (see paper)
34% identity, 84% coverage: 32:262/274 of query aligns to 28:262/280 of 7colA

query
sites
7colA

F

Y

A

H

E

H

A

A

Q

G

A

L

D

D

A

A

V

R

C

Y

I

I

P

N

L

C

E

D

I

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A

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L

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A

E

D

F

A

V

V

K

K

G

G

V

A

R

K

A

A

V

M

R

E

N

W

L

V

S

-

G

G

L

F

L

N

V

C

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S

M

L

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P

H

H

K

K

Q

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A

M

V

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L

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D

I

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L

D

D

E

D

L

I

H

A

P

E

T

S

A

A

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R

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L

I

I

G

G

A

A

I

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N

N

V

C

V

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A

C

I

D

-

N

R

D

E

G

G

R

K

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L

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G

A

H

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N

F

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D

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G

G

C

F

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A

A

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V

G

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A

G

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K

S

R

V

V

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V

L

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I

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G
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G

A

A

G
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G

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x
A

G

A

R

R

A

A

I

I

A

A

F

V

A

E

V

L

A

A

A

L

A

A

G

G

A

A

R

A

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H

L

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T

I

I

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x
N

L
x
R

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D

P

A

Q

S

R
x
K

A

A

S

E

D

T

L

I

V

A

-

A

-

L

-

I

-

N

H

D

R

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V

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A

E

K

A

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C

A

A

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A

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A

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L

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P

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D

I

I

V

L

I

I

N

N

A

A

T
|
T

P
x
S

L
x
I

G

G

M

L

-

G

N

D

P

P

D

N

D

A

P

A

M

P

P

P

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D

E

A

M

T

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R

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L

D

T

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K

A

E

T

T

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V

V

A

D

D

I
x
V

I

I

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P

R

N

S

P

E

P

P

Q

T

T

A

R

L

F

L

L

L

K

E

D

A

A

Q

K

S

A

R

L

G

G

C

C

Q

T

T

T

L

L

D

D

G

G

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G

M

M

H

L

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V

G

N

Q
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Q

A

G

L

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L

I

A

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E

-

I

F

W

L

L

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G

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G128 (= G135), G130 (= G137), G131 (= G138), A132 (≠ S139), N152 (≠ D159), R153 (≠ L160), K157 (≠ R164), T195 (= T197), S196 (≠ P198), I197 (≠ L199), V222 (≠ I223), Q252 (= Q253)

2o7qA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
30% identity, 92% coverage: 4:254/274 of query aligns to 229:468/501 of 2o7qA

query
sites
2o7qA

R

R

I

I

T

G

G

P

T

D

T

T

R

K

I

V

Y

Y

G

G

L
x
I

I

I

G

G

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K

P

P

L

V

R

S

S

H

A
x
S

K

K

S
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S

P

P

M

I

L

V

L

H

N

N

K

Q

L

A

F

F

A

K

E

S

A

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D

A

F

D

N

A

G

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V

C

Y

I

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H

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L

E

L

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V

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D

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-

G

-

D

N

L

L

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F

F

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S

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D

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T

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K

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A

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C

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D

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E

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D

P

P

T

L

A

A

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I

I

G

G

A

A

I

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N

N

-

T

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I

V

L

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C

R

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K

N

S

D

D

G

G

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K

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L

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L

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G

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Y

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F

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D
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D

G

C

L

I

G

G

C

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V

I

A

S

G

A

M

I

Q

E

R

D

H

-

G

-

I

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-

L

-

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-

G

G

K

L

S

T

V

V

L

V

I

I

G

G

A

A

G

G

S

A

G

G

R

K

A

A

I

L

A

A

F

Y

A

G

V

A

A

K

A

E

A

K

G

A

A

-

R

-

S

K

L

V

V

V

I

I

S

A

D

N

L

R

D

T

P

Y

Q

E

R

R

A

A

S

L

D

E

L

L

V

A

H

E

R

A

V

I

A

G

K

-

E

-

G

G

P

K

C

A

A

L

V

S

Y

L

T

T

G

D

P

L

A

D

D

N

P

Y

A

E

G

D

H

G

D

M

I

V

V

L

I

A

N

N

A

T

T

T

P

S

L

M

G

G

M

M

N

Q

P

P

D

N

-

V

D

E

P

E

M

T

P

P

I

I

D

S

A

K

T

D

R

A

L

L

D

K

P

H

A

Y

T

A

V

L

V

V

V

F

D

D

I

A

I

V

T
x
Y

R

T

S

P

E

R

P

I

T

T

A

R

L

L

L

R

E

E

A

A

Q

E

S

E

R

S

G

G

C

A

Q

I

T

T

L

V

D

S

G

G

Q

S

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E

M

M

H
x
F

V

V

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R

Q
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Q

A

A

binding 3-dehydroshikimate: I239 (≠ L14), S247 (≠ A22), S249 (= S24), T292 (= T70), K296 (= K74), D334 (= D111), Y439 (≠ T225), F464 (≠ H250), Q467 (= Q253)

Sites not aligning to the query:

active site: 70, 125, 152
binding 3-dehydroshikimate: 35, 152, 190, 202, 211, 212, 215, 471

Query Sequence

>AO356_27475 FitnessBrowser__pseudo5_N2C3_1:AO356_27475
MHPRITGTTRIYGLIGDPLRSAKSPMLLNKLFAEAQADAVCIPLEIGTGDLVEFVKGVRA
VRNLSGLLVTMPHKQSMLDIVDELHPTARQIGAINVVRCDNDGRWVGAVFDGLGCVAGMQ
RHGISLVGKSVLLIGAGGSGRAIAFAVAAAGARSLVISDLDPQRASDLVHRVAKEGPCAV
YTGPADPAGHDIVINATPLGMNPDDPMPIDATRLDPATVVVDIITRSEPTALLLEAQSRG
CQTLDGQPMHVGQALLALSFLGFEDIERRYSTEL

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