SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_2608 FitnessBrowser__Putida:PP_2608 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)
100% identity, 99% coverage: 3:268/269 of query aligns to 1:266/266 of 4k28A

query
sites
4k28A

R

R

G

G

S

S

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T

E

E

L

L

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V

A

A

I

I

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G

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K

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Q

N

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W

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E

binding manganese (ii) ion: C153 (= C155), C164 (= C166), V176 (= V178), F180 (= F182)
binding nicotinamide-adenine-dinucleotide: I129 (= I131), G130 (= G132), G132 (= G134), G133 (= G135), V134 (= V136), C153 (= C155), D154 (= D156), P155 (= P157), R159 (= R161), S193 (= S195), P194 (= P196), V222 (= V224), G245 (= G247), M248 (= M250), A249 (= A251)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
32% identity, 97% coverage: 7:266/269 of query aligns to 2:257/272 of P15770

query
sites
P15770

E

E

L

T

V

Y

A

A

I

V

V

F

G

G

S

N

P

P

I

I

A

A

Q

H

V

S

K

K

S

S

P

P

-

F

-

I

-

H

Q

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N

Q

F

F

N

A

T

Q

W

Q

F

L

N

N

H

I

N

E

N

H

C

-

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-

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-

A

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M

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GAGGA 126:130 (≠ GCGGV 132:136) binding
NRTVSR 149:154 (≠ DPSTAR 156:161) binding
M213 (≠ V224) binding
G237 (= G247) binding

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
32% identity, 97% coverage: 7:266/269 of query aligns to 2:257/271 of 1nytA

query
sites
1nytA

E

E

L

T

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Y

A

A

I

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V

F

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G

S

N

P

P

I

I

A

A

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K

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P

-

F

-

I

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A

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L

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I

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E

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binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K71), D102 (= D108), G128 (= G134), G129 (= G135), A130 (≠ V136), N149 (≠ D156), R150 (≠ P157), T151 (≠ S158), R154 (= R161), T188 (≠ S195), S189 (≠ P196), S190 (≠ V197), M213 (≠ V224), G237 (= G247), M240 (= M250), L241 (≠ A251)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
27% identity, 91% coverage: 10:254/269 of query aligns to 4:239/269 of Q5HNV1

query
sites
Q5HNV1

A

A

I

V

V

I

G

G

S

N

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P

I

I

A

S

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H

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x
S

K
x
L

S
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S

P

P

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M

F

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N

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A

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N

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F

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x
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Q
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Q

SLS 13:15 (≠ VKS 19:21) binding
T60 (= T67) binding
N85 (= N92) binding
D100 (= D108) binding
Y211 (≠ T226) 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 (= Q254) binding

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
28% identity, 94% coverage: 2:254/269 of query aligns to 9:268/291 of 3tozA

query
sites
3tozA

I

I

R

T

G

G

S

H

T

T

E

E

L

L

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I

A

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F

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A

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G

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x
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G

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x
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G

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A

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I

I

T

S

L

I

C

F

D
x
N

P
x
R

S

K

T
x
D

A

D

R
x
F

M

Y

G

A

A

N

V

A

C

E

E

K

L

T

L

V

G

E

N

K

G

I

F

N

P

S

G

K

L

T

T

D

V

C

S

K

T

A

Q

Q

F

L

S

F

G

D

L

I

E

E

D

D

F

H

D

E

-

Q

-

L

-

R

-

K

-

E

-

I

-

A

-

E

-

S

-

V

L

I

V

F

A

T

N

N

A

A

S
x
T

P
x
G

V
|
V

G

G

M
|
M

G

K

-

P

T
x
F

R

E

A

G

E

E

L

T

P

L

L

L

S

P

A

S

A

A

L

D

L

M

A

-

T

-

L

L

Q

R

P

P

D

E

T

L

L

I

V

V

A

S

D

D

V
|
V

V

V

T
x
Y

S

K

P

P

E

T

I

K

T

T

P

R

L

L

N

E

R

I

A

A

R

E

Q

E

V

Q

G

G

C

C

R

Q

I

T

Q

L

T

N

G
|
G

P

L

E

G

M
|
M

A
x
M

F

L

A

W

Q

Q

binding nicotinamide-adenine-dinucleotide: G137 (= G132), A138 (≠ C133), G139 (= G134), G140 (= G135), A141 (≠ V136), N161 (≠ D156), R162 (≠ P157), D164 (≠ T159), F166 (≠ R161), T210 (≠ S195), G211 (≠ P196), V212 (= V197), M214 (= M199), F217 (≠ T201), V238 (= V224), Y240 (≠ T226), G261 (= G247), M264 (= M250), M265 (≠ A251)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
28% identity, 94% coverage: 2:254/269 of query aligns to 9:268/291 of Q8Y9N5

query
sites
Q8Y9N5

I

I

R

T

G

G

S

H

T

T

E

E

L

L

V

I

A

G

I

L

V

I

G

A

S

T

P

P

I

I

A

R

Q

H

V
x
S

K
x
L

S
|
S

P

P

Q

T

N

M

F

H

N

N

T

E

W

A

F

F

N

A

H

K

N

L

N

G

C

L

N

D

L

Y

A

V

M

Y

L

L

P

A

I

F

D

E

L

V

H

G

E

D

A

K

A

E

L

L

D

K

S

D

F

V

A

V

D

Q

T

G

L

F

R

R

G

A

W

-

Q

M

N

N

L

L

R

R

G

G

C

W

V

N

V

V

T

S

V

M

P

P

Y

N

K

K

Q

T

A

N

L

I

A

H

N

K

R

Y

V

L

D

D

G

K

L

L

S

S

E

P

R

A

A

A

A

E

A

L

L

V

G

G

S

A

I

V

N

N

V

T

I

V

R

V

R

N

E

D

R

-

D

D

G

G

R

V

L

L

L

T

G

G

D

H

N

I

V

T

D

D

G

G

A

T

G

G

F

Y

L

M

G

R

A

A

A

L

H

K

K

E

H

A

G

G

F

H

E

D

P

I

A

I

G

G

K

K

R

K

A

M

L

T

V

I

I

C

G

G

C

A

G

G

V

A

G

A

S

T

A

A

I

I

A

C

Y

I

A

Q

L

A

A

A

E

L

A

D

G

G

I

V

A

K

S

E

I

I

T

S

L

I

C

F

D
x
N

P
x
R

S
x
K

T
x
D

A

D

R

F

M

Y

G

A

A

N

V

A

C

E

E

K

L

T

L

V

G

E

N

K

G

I

F

N

P

S

G

K

L

T

T

D

V

C

S

K

T

A

Q

Q

F

L

S

F

G

D

L

I

E

E

D

D

F

H

D

E

-

Q

-

L

-

R

-

K

-

E

-

I

-

A

-

E

-

S

-

V

L

I

V

F

A

T

N

N

A

A

S

T

P

G

V

V

G

G

M
|
M

G

K

-

P

T

F

R

E

A

G

E

E

L

T

P

L

L

L

S

P

A

S

A

A

L

D

L

M

A

-

T

-

L

L

Q

R

P

P

D

E

T

L

L

I

V

V

A

S

D

D

V

V

T

Y

S

K

P

P

E

T

I

K

T

T

P

R

L

L

N

E

R

I

A

A

R

E

Q

E

V

Q

G

G

C

C

R

Q

I

T

Q

L

T

N

G

G

P

L

E

G

M

M

A

M

F

L

A

W

Q

Q

SLS 26:28 (≠ VKS 19:21) binding
NRKD 161:164 (≠ DPST 156:159) binding
M214 (= M199) binding

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
28% identity, 94% coverage: 2:254/269 of query aligns to 6:265/288 of 3tnlA

query
sites
3tnlA

I

I

R

T

G

G

S

H

T

T

E

E

L

L

V

I

A

G

I

L

V

I

G

A

S

T

P

P

I

I

A

R

Q

H

V
x
S

K

L

S
|
S

P

P

Q

T

N

M

F

H

N

N

T

E

W

A

F

F

N

A

H

K

N

L

N

G

C

L

N

D

L

Y

A

V

M

Y

L

L

P

A

I

F

D

E

L

V

H

G

E

D

A

K

A

E

L

L

D

K

S

D

F

V

A

V

D

Q

T

G

L

F

R

R

G

A

W

-

Q

M

N

N

L

L

R

R

G

G

C

W

V
x
N

V

V

T
x
S

V
x
M

P

P

Y

N

K
|
K

Q

T

A

N

L

I

A

H

N

K

R

Y

V

L

D

D

G

K

L

L

S

S

E

P

R

A

A

A

A

E

A

L

L

V

G

G

S

A

I

V

N
|
N

V

T

I

V

R

V

R

N

E

D

R

-

D

D

G

G

R

V

L

L

L

T

G

G

D

H

N

I

V

T

D
|
D

G

G

A

T

G

G

F

Y

L

M

G

R

A

A

A

L

H

K

K

E

H

A

G

G

F

H

E

D

P

I

A

I

G

G

K

K

R

K

A

M

L

T

V

I

I

C

G
|
G

C
x
A

G
|
G

V
x
A

G

A

S

T

A

A

I

I

A

C

Y

I

A

Q

L

A

A

A

E

L

A

D

G

G

I

V

A

K

S

E

I

I

T

S

L

I

C

F

D
x
N

P
x
R

S

K

T
x
D

A

D

R
x
F

M

Y

G

A

A

N

V

A

C

E

E

K

L

T

L

V

G

E

N

K

G

I

F

N

P

S

G

K

L

T

T

D

V

C

S

K

T

A

Q

Q

F

L

S

F

G

D

L

I

E

E

D

D

F

H

D

E

-

Q

-

L

-

R

-

K

-

E

-

I

-

A

-

E

-

S

-

V

L

I

V

F

A

T

N

N

A

A

S
x
T

P

G

V
|
V

G

G

M
|
M

G

K

-

P

T
x
F

R

E

A

G

E

E

L

T

P

L

L

L

S

P

A

S

A

A

L

D

L

M

A

-

T

-

L

L

Q

R

P

P

D

E

T

L

L

I

V

V

A

S

D

D

V
|
V

V

V

T
x
Y

S

K

P

P

E

T

I

K

T

T

P

R

L

L

N

E

R

I

A

A

R

E

Q

E

V

Q

G

G

C

C

R

Q

I

T

Q

L

T

N

G

G

P

L

E

G

M
|
M

A
x
M

F

L

A

W

Q
|
Q

binding nicotinamide-adenine-dinucleotide: M71 (≠ V68), G134 (= G132), A135 (≠ C133), G136 (= G134), G137 (= G135), A138 (≠ V136), N158 (≠ D156), R159 (≠ P157), D161 (≠ T159), F163 (≠ R161), T207 (≠ S195), V209 (= V197), M211 (= M199), F214 (≠ T201), V235 (= V224), Y237 (≠ T226), M261 (= M250), M262 (≠ A251)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (≠ V19), S25 (= S21), N68 (≠ V65), S70 (≠ T67), K74 (= K71), N95 (= N92), D110 (= D108), Q265 (= Q254)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
28% identity, 94% coverage: 2:254/269 of query aligns to 3:262/288 of 1npdB

query
sites
1npdB

I

V

R

T

G

A

S

K

T

Y

E

E

L

L

V

I

A

G

I

L

V

M

G

A

S

Y

P

P

I

I

A

R

Q

H

V

S

K

L

S

S

P

P

Q

E

N

M

F

Q

N

N

T

K

W

A

F

L

N

E

H

K

N

A

N

G

C

L

N

P

L

F

A

T

M

Y

L

M

P

A

I

F

D

E

L

V

H

D

E

N

A

-

L

-

D

D

S

S

F

F

A

P

D

G

T

A

L

I

R

E

G

G

W

L

Q

K

-

A

-

L

N

K

L

M

R

R

G

G

C

T

V

G

V

V

T

S

V

M

P

P

Y

N

K

K

Q

Q

A

L

L

A

A

C

N

E

R

Y

V

V

D

D

G

E

L

L

S

T

E

P

R

A

A

A

A

K

A

L

L

V

G

G

S

A

I

I

N

N

V

T

I

I

R

V

R

N

E

D

R

-

D

D

G

G

R

Y

L

L

L

R

G

G

D

Y

N

N

V

T

D

D

G

G

A

T

G

G

F

H

L

I

G

R

A

A

A

I

H

K

K

E

H

S

G

G

F

F

E

D

P

I

A

K

G

G

K

K

R

T

A

M

L

V

V

L

I

L

G

G

C
x
A

G
|
G

V
x
A

G

S

S

T

A

A

I

I

A

G

Y

A

A

Q

L

G

A

A

E

I

A

E

G

G

I

L

A

K

S

E

I

I

T

K

L

L

C

F

-
x
N

-
x
R

-

R

D
|
D

P

E

S
x
F

T

F

A

D

R

K

M

A

G

L

A

A

V

F

C

A

E

Q

L

R

L

V

G

N

N

E

G

N

F

T

P

D

G

C

L

V

T

V

V

T

S

V

T

T

Q

D

F

L

S

A

G

D

L

Q

E

Q

D

A

F

F

-

A

-

E

-

A

-

L

-

A

-

S

-

A

D

D

L

I

V

L

A

T

N

N

A

G

S
x
T

P
x
K

V
|
V

G

G

M
|
M

G

K

T

P

R

L

A

E

E

N

L

E

P

S

L

L

S

V

A

N

A

D

L

-

L

I

A

S

T

L

L

L

Q

H

P

P

D

G

T

L

L

L

V

V

A

T

D

E

V
x
C

V

V

T

Y

S

N

P

P

E

H

I

M

T

T

P

K

L

L

N

Q

R

Q

A

A

R

Q

Q

Q

V

A

G

G

C

C

R

K

I

T

Q

I

T

D

G

G

P

Y

E

G

M
|
M

A
x
L

F

L

A

W

Q

Q

binding nicotinamide-adenine-dinucleotide: A132 (≠ C133), G133 (= G134), G134 (= G135), A135 (≠ V136), N155 (vs. gap), R156 (vs. gap), D158 (= D156), F160 (≠ S158), T204 (≠ S195), K205 (≠ P196), V206 (= V197), M208 (= M199), C232 (≠ V224), M258 (= M250), L259 (≠ A251)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
28% identity, 94% coverage: 2:254/269 of query aligns to 3:262/288 of P0A6D5

query
sites
P0A6D5

I

V

R

T

G

A

S

K

T

Y

E

E

L

L

V

I

A

G

I

L

V

M

G

A

S

Y

P

P

I

I

A

R

Q

H

V

S

K

L

S
|
S

P

P

Q

E

N

M

F

Q

N

N

T

K

W

A

F

L

N

E

H

K

N

A

N

G

C

L

N

P

L

F

A

T

M
x
Y

L

M

P

A

I

F

D

E

L

V

H

D

E

N

A

-

L

-

D

D

S

S

F

F

A

P

D

G

T

A

L

I

R

E

G

G

W

L

Q

K

-

A

-

L

N

K

L

M

R

R

G

G

C

T

V

G

V

V

T
x
S

V

M

P

P

Y

N

K
|
K

Q

Q

A

L

L

A

A

C

N

E

R

Y

V

V

D

D

G

E

L

L

S

T

E

P

R

A

A

A

A

K

A

L

L

V

G

G

S

A

I

I

N
|
N

V

T

I

I

R

V

R

N

E

D

R

-

D

D

G

G

R

Y

L

L

L

R

G

G

D

Y

N

N

V
x
T

D
|
D

G

G

A

T

G

G

F

H

L

I

G

R

A

A

A

I

H

K

K

E

H

S

G

G

F

F

E

D

P

I

A

K

G

G

K

K

R

T

A

M

L

V

V

L

I

L

G

G

C
x
A

G
|
G

V
x
A

G

S

S

T

A

A

I

I

A

G

Y

A

A

Q

L

G

A

A

E

I

A

E

G

G

I

L

A

K

S

E

I

I

T

K

L

L

C

F

-
x
N

-
x
R

D
|
D

P

E

S

F

T

F

A

D

R

K

M

A

G

L

A

A

V

F

C

A

E

Q

L

R

L

V

G

N

N

E

G

N

F

T

P

D

G

C

L

V

T

V

V

T

S

V

T

T

Q

D

F

L

S

A

G

D

L

Q

E

Q

D

A

F

F

-

A

-

E

-

A

-

L

-

A

-

S

-

A

D

D

L

I

V

L

A

T

N

N

A

G

S

T

P
x
K

V

V

G

G

M

M

G

K

T

P

R

L

A

E

E

N

L

E

P

S

L

L

S

V

A

N

A

D

L

-

L

I

A

S

T

L

L

L

Q

H

P

P

D

G

T

L

L

L

V

V

A

T

D

E

V
x
C

V
|
V

T
x
Y

S
x
N

P

P

E

H

I

M

T

T

P

K

L

L

N

Q

R

Q

A

A

R

Q

Q

Q

V

A

G

G

C

C

R

K

I

T

Q

I

T

D

G
|
G

P

Y

E

G

M

M

A

L

F

L

A

W

Q
|
Q

S22 (= S21) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (≠ M38) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T67) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K71) 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 (= N92) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (≠ V107) 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 (= D108) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (≠ CGGV 133:136) binding
NRRD 155:158 (≠ ---D 156) binding
K205 (≠ P196) binding
CVYN 232:235 (≠ VVTS 224:227) binding
G255 (= G247) binding
Q262 (= Q254) 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)
28% identity, 92% coverage: 7:254/269 of query aligns to 2:256/280 of 1o9bA

query
sites
1o9bA

E

E

L

L

V

I

A

G

I

L

V

M

G

A

S

Y

P

P

I

I

A

R

Q

H

V

S

K

L

S

S

P

P

Q

E

N

M

F

Q

N

N

T

K

W

A

F

L

N

E

H

K

N

A

N

G

C

L

N

P

L

F

A

T

M

Y

L

M

P

A

I

F

D

E

L

V

H

D

E

N

A

-

L

-

D

D

S

S

F

F

A

P

D

G

T

A

L

I

R

E

G

G

W

L

Q

K

-

A

-

L

N

K

L

M

R

R

G

G

C

T

V

G

V

V

T

S

V

M

P

P

Y

N

K

K

Q

Q

A

L

L

A

A

C

N

E

R

Y

V

V

D

D

G

E

L

L

S

T

E

P

R

A

A

A

A

K

A

L

L

V

G

G

S

A

I

I

N

N

V

T

I

I

R

V

R

N

E

D

R

-

D

D

G

G

R

Y

L

L

L

R

G

G

D

Y

N

N

V

T

D

D

G

G

A

T

G

G

F

H

L

I

G

R

A

A

A

I

H

K

K

E

H

S

G

G

F

F

E

D

P

I

A

K

G

G

K

K

R

T

A

M

L

V

V

L

I

L

G

G

C
x
A

G
|
G

V
x
A

G

S

S

T

A

A

I

I

A

G

Y

A

A

Q

L

G

A

A

E

I

A

E

G

G

I

L

A

K

S

E

I

I

T

K

L

L

C

F

-

N

-
x
R

-

R

D

D

P

E

S
x
F

T

F

A

D

R

K

M

A

G

L

A

A

V

F

C

A

E

Q

L

R

L

V

G

N

N

E

G

N

F

T

P

D

G

C

L

V

T

V

V

T

S

V

T

T

Q

D

F

L

S

A

G

D

L

Q

E

Q

D

A

F

F

-

A

-

E

-

A

-

L

-

A

-

S

-

A

D

D

L

I

V

L

A

T

N

N

A

G

S

T

P
x
K

V
|
V

G

G

M
|
M

G

K

T

P

R

L

A

E

E

N

L

E

P

S

L

L

S

V

A

N

A

D

L

-

L

I

A

S

T

L

L

L

Q

H

P

P

D

G

T

L

L

L

V

V

A

T

D

E

V
x
C

V

V

T
x
Y

S

N

P

P

E

H

I

M

T

T

P

K

L

L

N

Q

R

Q

A

A

R

Q

Q

Q

V

A

G

G

C

C

R

K

I

T

Q

I

T

D

G

G

P

Y

E

G

M
|
M

A
x
L

F

L

A

W

Q

Q

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (≠ C133), G127 (= G134), G128 (= G135), A129 (≠ V136), R150 (vs. gap), F154 (≠ S158), K199 (≠ P196), V200 (= V197), M202 (= M199), C226 (≠ V224), Y228 (≠ T226), M252 (= M250), L253 (≠ A251)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
25% identity, 94% coverage: 1:254/269 of query aligns to 1:242/269 of O67049

query
sites
O67049

M

M

I

I

R

N

G

A

S

Q

T

T

E

Q

L

L

V

Y

A

G

I

V

V

I

G

G

S

F

P

P

I

V

A

K

Q

H

V
x
S

K
x
L

S
|
S

P

P

Q

V

N

F

F

Q

N

N

T

A

W

L

F

I

N

R

H

Y

N

A

N

G

C

L

N

N

L

A

A

V

M

Y

L

L

P

A

I

F

D

E

L

I

H

N

E

P

A

E

L

L

D

K

S

K

F

A

A

F

D

E

T

G

L

F

R

K

G

A

W

L

Q

K

N

-

L

V

R

K

G

G

C

I

V

N

V

V

T

T

V

V

P

P

Y

F

K

K

Q

E

A

E

L

I

A

I

N

P

R

L

V

L

D

D

G

Y

L

V

S

E

E
x
D

R

T

A

A

A

K

A

E

L

I

G

G

S

A

I

V

N
|
N

V

T

I

V

R

K

R

F

E

E

R

-

D

N

G

G

R

K

L

A

L

Y

G

G

D

Y

N

N

V

T

D
|
D

G

W

A

I

G

G

F

F

L

L

G

K

A

S

A

L

H

K

K

S

H

L

G

I

F

P

E

E

P

V

A

K

G

E

K

K

R

S

A

I

L

L

V

V

I

L

G
|
G

C
x
A

G
|
G

V
x
A

G

S

S

R

A

A

I

V

A

I

Y

Y

A

A

L

L

A

V

E

K

A

E

G

G

I

-

A

A

S

K

I

V

T

F

L

L

C

W

D

N

P

R

S

T

T

K

A

E

R

K

M

A

G

I

A

K

V

-

C

-

E

-

L

-

L

L

G

A

N

Q

G

K

F

F

P

P

G

L

L

E

T

V

V

V

S

N

T

S

Q

P

F

E

S

E

G

V

L

I

E

D

D

K

F

V

D

Q

L

V

V

I

A

V

N

N

A

T

S

T

P

S

V

V

G

G

M

L

G

K

T

D

R

K

A

D

E

P

L

E

P

I

L

F

S

N

A

Y

A

D

L

L

L

-

A

-

T

-

L

I

Q

K

P

K

D

D

T

H

L

V

V

V

A

V

D

D

V
x
I

V

I

T
x
Y

S

K

P

E

E

-

I

-

T

T

P

K

L

L

N

K

R

K

A

A

R

K

Q

E

V

K

G

G

C

A

R

K

I

L

Q

F

T

D

G
|
G

P

L

E

P

M

M

A

L

F

L

A

W

Q
|
Q

SLS 19:21 (≠ VKS 19:21) binding
D82 (≠ E83) binding
N91 (= N92) binding
D106 (= D108) binding
GAGGA 130:134 (≠ GCGGV 132:136) binding
I214 (≠ V224) binding
Y216 (≠ T226) binding
G235 (= G247) binding
Q242 (= Q254) binding

7colA Crystal structure of 5-ketofructose reductase complexed with NADPH (see paper)
30% identity, 83% coverage: 32:254/269 of query aligns to 17:252/280 of 7colA

query
sites
7colA

N

D

N

N

C

P

N

T

L

V

A

A

M

M

L

V

P

E

I

A

D

G

L

Y

H

H

E

H

A

A

A

G

L

L

D

D

S

A

-

R

-

Y

-

I

-

N

-

C

-

D

-

V

-

K

-

A

-

S

-

G

F

L

A

A

D

D

T

A

L

V

R

K

G

G

W

A

Q

K

N

A

L

M

R

E

-

W

-

V

G

G

C

F

V

N

V

C

T

S

V

L

P

P

Y

H

K

K

Q

V

A

A

L

V

A

L

N

D

R

H

V

L

D

D

G

D

L

I

S

A

E

E

R

S

A

A

A

R

A

L

L

I

G

G

S

A

I

V

N

N

V

C

I

V

R

A

R

I

E

-

R

R

D

E

G

G

R

K

L

L

L

I

G

G

D

H

N

N

V

T

D

D

G

G

A

K

G

G

F

F

L

L

G

-

A

A

A

S

H

L

K

K

H

T

G

V

F

T

E

S

P

P

A

A

G

G

K

K

R

R

A

V

L

V

V

I

I

L

G
|
G

C

A

G
|
G

V
x
A

G

A

S

R

A

A

I

I

A

A

Y

V

A

E

L

L

A

A

E

L

A

A

G

G

I

A

A

A

S

H

I

I

T

T

L

I

C

V

D
x
N

P
x
R

S

D

T

A

A

S

R
x
K

M

A

G

E

A

T

V

I

C

A

E

A

L

L

L

I

G

N

N

D

G

K

F

T

P

E

G

A

L

T

T

G

V

E

S

A

T

Q

Q

A

F

W

S

S

G

G

L

K

E

F

D

S

F

L

-

P

-

T

-

G

-

T

D

D

L

I

V

L

A

I

N

N

A

A

S
x
T

P
x
S

V
x
I

G

G

M

L

G

G

T

D

R

P

A

N

E

A

L

A

P

P

L

-

S

-

A

P

A

V

L

E

L

M

A

G

T

S

L

L

Q

T

P

K

D

E

T

T

L

V

V

V

A

A

D

D

V
|
V

V

I

T

P

S

N

P

P

E

P

I

Q

T

T

P

R

L

F

L

L

N

K

R

D

A

A

R

K

Q

A

V

L

G

G

C

C

R

T

I

T

Q

L

T

D

G

G

P

L

E

G

M

M

A

L

F

V

A

N

Q
|
Q

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G128 (= G132), G130 (= G134), G131 (= G135), A132 (≠ V136), N152 (≠ D156), R153 (≠ P157), K157 (≠ R161), T195 (≠ S195), S196 (≠ P196), I197 (≠ V197), V222 (= V224), Q252 (= Q254)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
25% identity, 94% coverage: 1:254/269 of query aligns to 1:242/269 of 2hk9A

query
sites
2hk9A

M

M

I

I

R

N

G

A

S

Q

T

T

E

Q

L

L

V

Y

A

G

I

V

V

I

G

G

S

F

P

P

I

V

A

K

Q

H

V
x
S

K

L

S
|
S

P

P

Q

V

N

F

F

Q

N

N

T

A

W

L

F

I

N

R

H

Y

N

A

N

G

C

L

N

N

L

A

A

V

M

Y

L

L

P

A

I

F

D

E

L

I

H

N

E

P

A

E

L

L

D

K

S

K

F

A

A

F

D

E

T

G

L

F

R

K

G

A

W

L

Q

K

N

-

L

V

R

K

G

G

C

I

V
x
N

V

V

T

T

V
|
V

P

P

Y

F

K
|
K

Q

E

A

E

L

I

A

I

N

P

R

L

V

L

D

D

G

Y

L

V

S

E

E

D

R

T

A

A

A

K

A

E

L

I

G

G

S

A

I

V

N
|
N

V

T

I

V

R

K

R

F

E

E

R

-

D

N

G

G

R

K

L

A

L

Y

G

G

D

Y

N

N

V

T

D
|
D

G

W

A

I

G

G

F

F

L

L

G

K

A

S

A

L

H

K

K

S

H

L

G

I

F

P

E

E

P

V

A

K

G

E

K

K

R

S

A

I

L

L

V

V

I

L

G

G

C

A

G
|
G

V
x
A

G

S

S

R

A

A

I

V

A

I

Y

Y

A

A

L

L

A

V

E

K

A

E

G

G

I

-

A

A

S

K

I

V

T

F

L

L

C

W

D
x
N

P
x
R

S
x
T

T

K

A

E

R

K

M

A

G

I

A

K

V

-

C

-

E

-

L

-

L

L

G

A

N

Q

G

K

F

F

P

P

G

L

L

E

T

V

V

V

S

N

T

S

Q

P

F

E

S

E

G

V

L

I

E

D

D

K

F

V

D

Q

L

V

V

I

A

V

N

N

A

T

S
x
T

P
x
S

V
|
V

G

G

M

L

G

K

T

D

R

E

A

D

E

P

L

E

P

I

L

F

S

N

A

Y

A

D

L

L

L

-

A

-

T

-

L

I

Q

K

P

K

D

D

T

H

L

V

V

V

A

V

D

D

V

I

T
x
Y

S

K

P

E

E

-

I

-

T

T

P

K

L

L

N

K

R

K

A

A

R

K

Q

E

V

K

G

G

C

A

R

K

I

L

Q

L

T

D

G

G

P

L

E

P

M

M

A
x
L

F

L

A

W

Q
|
Q

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V68), G132 (= G134), G133 (= G135), A134 (≠ V136), N153 (≠ D156), R154 (≠ P157), T155 (≠ S158), T188 (≠ S195), S189 (≠ P196), V190 (= V197)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (≠ V19), S21 (= S21), N64 (≠ V65), K70 (= K71), N91 (= N92), D106 (= D108), Y216 (≠ T226), L239 (≠ A251), Q242 (= Q254)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
25% identity, 94% coverage: 1:254/269 of query aligns to 1:242/267 of 2hk9B

query
sites
2hk9B

M

M

I

I

R

N

G

A

S

Q

T

T

E

Q

L

L

V

Y

A

G

I

V

V

I

G

G

S

F

P

P

I

V

A

K

Q

H

V
x
S

K

L

S
|
S

P

P

Q

V

N

F

F

Q

N

N

T

A

W

L

F

I

N

R

H

Y

N

A

N

G

C

L

N

N

L

A

A

V

M

Y

L

L

P

A

I

F

D

E

L

I

H

N

E

P

A

E

L

L

D

K

S

K

F

A

A

F

D

E

T

G

L

F

R

K

G

A

W

L

Q

K

N

-

L

V

R

K

G

G

C

I

V
x
N

V

V

T
|
T

V
|
V

P

P

Y

F

K
|
K

Q

E

A

E

L

I

A

I

N

P

R

L

V

L

D

D

G

Y

L

V

S

E

E

D

R

T

A

A

A

K

A

E

L

I

G

G

S

A

I

V

N
|
N

V

T

I

V

R

K

R

F

E

E

R

-

D

N

G

G

R

K

L

A

L

Y

G

G

D

Y

N

N

V

T

D
|
D

G

W

A

I

G

G

F

F

L

L

G

K

A

S

A

L

H

K

K

S

H

L

G

I

F

P

E

E

P

V

A

K

G

E

K

K

R

S

A

I

L

L

V

V

I

L

G
|
G

C

A

G

G

G
|
G

V
x
A

G

S

S

R

A

A

I

V

A

I

Y

Y

A

A

L

L

A

V

E

K

A

E

G

G

I

-

A

A

S

K

I

V

T

F

L

L

C

W

D
x
N

P
x
R

S
x
T

T

K

A

E

R
x
K

M

A

G

I

A

K

V

-

C

-

E

-

L

-

L

L

G

A

N

Q

G

K

F

F

P

P

G

L

L

E

T

V

V

V

S

N

T

S

Q

P

F

E

S

E

G

V

L

I

E

D

D

K

F

V

D

Q

L

V

V

I

A

V

N

N

A

T

S
x
T

P
x
S

V
|
V

G

G

M

L

G

K

T

D

R

E

A

D

E

P

L

E

P

I

L

F

S

N

A

Y

A

D

L

L

L

-

A

-

T

-

L

I

Q

K

P

K

D

D

T

H

L

V

V

V

A

V

D

D

V
x
I

V

I

T
x
Y

S

K

P

E

E

-

I

-

T

T

P

K

L

L

N

K

R

K

A

A

R

K

Q

E

V

K

G

G

C

A

R

K

I

L

Q

L

T

D

G

G

P

L

E

P

M
|
M

A
x
L

F

L

A

W

Q
|
Q

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V68), G130 (= G132), G133 (= G135), A134 (≠ V136), N153 (≠ D156), R154 (≠ P157), T155 (≠ S158), K158 (≠ R161), T188 (≠ S195), S189 (≠ P196), V190 (= V197), I214 (≠ V224), M238 (= M250), L239 (≠ A251)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (≠ V19), S21 (= S21), N64 (≠ V65), T66 (= T67), K70 (= K71), N91 (= N92), D106 (= D108), Y216 (≠ T226), L239 (≠ A251), Q242 (= Q254)

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
27% identity, 91% coverage: 10:254/269 of query aligns to 4:230/258 of 3dooA

query
sites
3dooA

A

A

I

V

V

I

G

G

S

N

P

P

I

I

A

S

Q

H

V
x
S

K

L

S
|
S

P

P

Q

L

N

M

F

H

N

H

T

A

W

N

F

F

N

Q

H

S

N

L

N

N

C

L

N

E

L

N

A

T

M

Y

L

E

P

A

I

I

D

N

L

V

H

-

E

-

A

-

A

P

L

V

D

N

S

Q

F

F

A

Q

D

D

T

I

L

K

R

K

-

I

G

S

W

E

Q

K

N

S

L

I

R

D

G

G

C

F

V
x
N

V

V

T
|
T

V

I

P

P

Y

H

K
|
K

Q

E

A

R

L

I

A

I

N

P

R

Y

V

L

D

D

G

D

L

I

S

N

E

E

R

Q

A

A

A

K

A

S

L

V

G

G

S

A

I

V

N
|
N

V

T

I

V

R

L

R

V

E

-

R

K

D

D

G

G

R

K

L

W

L

I

G

G

D

Y

N

N

V

T

D
|
D

G

G

A

I

G

G

F

Y

L

V

G

N

A

G

A

L

H

K

K

Q

-

I

-

Y

H

E

G

G

F

I

E

E

P

D

A

A

G

-

K

-

R

Y

A

I

L

L

V

I

I

L

G

G

C

A

G

G

V

A

G

S

S

K

A

G

I

I

A

A

Y

N

A

E

L

L

A

Y

E

K

A

I

G

V

I

R

A

P

S

T

I

L

T

T

L

V

C

A

D

N

P

R

S

T

T

M

A

S

R

R

M

F

G

N

A

N

V

W

C

S

E

L

L

N

L

I

G

N

N

-

G

-

F

-

P

-

G

K

L

I

T

N

V

L

S

S

T

H

Q

A

F

E

S

S

G

H

L

L

E

D

D

E

F

F

D

D

L

I

V

I

A

I

N

N

A

T

S

T

P

P

V

V

G

-

M

-

G

-

T

-

R

-

A

-

E

-

L

-

P

-

L

I

S

S

A

L

A

N

L

R

L

L

A

A

T

S

L

-

Q

-

P

-

D

H

T

T

L

L

V

V

A

S

D

D

V

I

V

V

T

Y

S

N

P

P

E

Y

I

K

T

T

P

P

L

I

L

L

N

I

R

E

A

A

R

E

Q

Q

V

R

G

G

C

N

R

P

I

I

Q

Y

T

N

G

G

P

L

E

D

M

M

A
x
F

F

V

A

H

Q
|
Q

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (≠ V19), S15 (= S21), N58 (≠ V65), T60 (= T67), K64 (= K71), N85 (= N92), D100 (= D108), F227 (≠ A251), Q230 (= Q254)

Q9X5C9 Quinate/shikimate dehydrogenase (NAD(+)); QSDH; EC 1.1.1.-; EC 1.1.1.24 from Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / BCRC 11384 / JCM 1318 / LMG 3730 / NCIMB 10025) (see paper)
35% identity, 78% coverage: 58:268/269 of query aligns to 60:270/283 of Q9X5C9

query
sites
Q9X5C9

W

Y

Q

L

N

G

L

F

R

N

G

G

C

L

V

N

V

I

T
|
T

V

H

P

P

Y

Y

K
|
K

Q

Q

A

A

L

V

A

L

N

P

R

L

V

L

D

D

G

E

L

V

S

S

E

E

R

Q

A

A

A

T

A

Q

L

L

G

G

S

A

I

V

N
|
N

V

T

I

V

R

V

R

I

E

D

R

A

D

T

G

G

R

H

L

T

G

G

D

H

N

N

V

T

D
|
D

G

V

A

S

G

G

F

F

L

-

G

G

A

R

A

G

H

M

K

E

H

E

G

G

F

L

E

P

P

N

A

A

G

K

-

L

K

D

R

S

A

V

L

V

V

Q

I

V

G

G

C

A

G

G

G
|
G

V
|
V

G

G

S

N

A

A

I

V

A

A

Y

Y

A

A

L

L

A

V

E

T

A

H

G

G

I

V

A

Q

S

K

I

L

T

Q

L

V

C

A

D
|
D

P

L

S

D

T

T

A

S

R
|
R

M

A

G

Q

A

A

V

L

C

A

E

D

L

V

L

I

G

N

N

N

G

A

F

V

-

G

P

R

G

E

L

A

T

V

V

V

S

G

T

V

Q

D

F

A

S

R

G

G

L

I

E

E

D

D

F

V

-

I

-

A

D

D

L

G

V

V

A

V

N

N

A

A

S

T

P
|
P

V
x
M

G
|
G

M
|
M

G

P

T

A

R

H

A

-

E

-

L

-

P

P

L

G

S

T

A
|
A

A

F

L

D

L

V

A

S

T

C

L

L

Q

T

P

K

D

D

T

H

L

W

V

V

A

G

D

D

V
|
V

V

V

T

Y

S

M

P

P

E

I

I

E

T

T

P

E

L

L

N

K

R

A

A

A

R

R

Q

A

V

L

G

G

C

C

R

E

I

T

Q

L

T

D

G
|
G

P

T

E

R

M

M

A

A

F

I

A

H

Q
|
Q

L

A

G

-

H

-

L

V

G

D

A

A

F

F

M

R

G

L

V

F

T

T

P

G

L

L

E

E

T69 (= T67) binding ; binding
K73 (= K71) active site, Proton acceptor; binding ; binding
N94 (= N92) binding ; binding
D110 (= D108) binding ; binding
GV 137:138 (= GV 135:136) binding
D158 (= D156) binding
R163 (= R161) binding
PMGM 203:206 (≠ PVGM 196:199) binding
A213 (= A209) binding
V228 (= V224) binding
G251 (= G247) binding
Q258 (= Q254) binding ; binding

Sites not aligning to the query:

17 binding
17:19 binding

3jyqA Quinate dehydrogenase from corynebacterium glutamicum in complex with shikimate and nadh (see paper)
35% identity, 78% coverage: 58:268/269 of query aligns to 59:269/282 of 3jyqA

query
sites
3jyqA

W

Y

Q

L

N

G

L

F

R

N

G

G

C

L

V
x
N

V

I

T
|
T

V

H

P

P

Y

Y

K

K

Q

Q

A

A

L

V

A

L

N

P

R

L

V

L

D

D

G

E

L

V

S

S

E

E

R

Q

A

A

A

T

A

Q

L

L

G

G

S

A

I

V

N
|
N

V

T

I

V

R

V

R

I

E

D

R

A

D

T

G

G

R

H

L

T

G

G

D

H

N

N

V

T

D
|
D

G

V

A

S

G

G

F

F

L

-

G

G

A

R

A

G

H

M

K

E

H

E

G

G

F

L

E

P

P

N

A

A

G

K

-

L

K

D

R

S

A

V

L

V

V

Q

I
x
V

G

G

C

A

G
|
G

V
|
V

G

G

S

N

A

A

I

V

A

A

Y

Y

A

A

L

L

A

V

E

T

A

H

G

G

I

V

A

Q

S

K

I

L

T

Q

L

V

C

A

D
|
D

P
x
L

S

D

T

T

A

S

R
|
R

M

A

G

Q

A

A

V

L

C

A

E

D

L

V

L

I

G

N

N

N

G

A

F

V

-

G

P

R

G

E

L

A

T

V

V

V

S

G

T

V

Q

D

F

A

S

R

G

G

L

I

E

E

D

D

F

V

-

I

-

A

D

D

L

G

V

V

A

V

N

N

A

A

S
x
T

P
|
P

V

M

G

G

M
|
M

G

P

T

A

R

H

A

-

E

-

L

-

P

P

L

G

S

T

A

A

A

F

L

D

L

V

A

S

T

C

L

L

Q

T

P

K

D

D

T

H

L

W

V

V

A

G

D

D

V
|
V

V

V

T

Y

S

M

P

P

E

I

I

E

T

T

P

E

L

L

N

K

R

A

A

A

R

R

Q

A

V

L

G

G

C

C

R

E

I

T

Q

L

T

D

G

G

P

T

E

R

M

M

A
|
A

F

I

A

H

Q
|
Q

L

A

G

-

H

-

L

V

G

D

A

A

F

F

M

R

G

L

V

F

T

T

P

G

L

L

E

E

binding nicotinamide-adenine-dinucleotide: V132 (≠ I131), G135 (= G134), G136 (= G135), V137 (= V136), D157 (= D156), L158 (≠ P157), R162 (= R161), T201 (≠ S195), P202 (= P196), M205 (= M199), V227 (= V224), A254 (= A251)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: N66 (≠ V65), T68 (= T67), N93 (= N92), D109 (= D108), Q257 (= Q254)

Sites not aligning to the query:

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 16

3jypA Quinate dehydrogenase from corynebacterium glutamicum in complex with quinate and nadh (see paper)
35% identity, 78% coverage: 58:268/269 of query aligns to 59:269/282 of 3jypA

query
sites
3jypA

W

Y

Q

L

N

G

L

F

R

N

G

G

C

L

V
x
N

V

I

T
|
T

V

H

P

P

Y

Y

K
|
K

Q

Q

A

A

L

V

A

L

N

P

R

L

V

L

D

D

G

E

L

V

S

S

E

E

R

Q

A

A

A

T

A

Q

L

L

G

G

S

A

I

V

N
|
N

V

T

I

V

R

V

R

I

E

D

R

A

D

T

G

G

R

H

L

T

G

G

D

H

N

N

V

T

D
|
D

G

V

A

S

G

G

F

F

L

-

G

G

A

R

A

G

H

M

K

E

H

E

G

G

F

L

E

P

P

N

A

A

G

K

-

L

K

D

R

S

A

V

L

V

V

Q

I
x
V

G

G

C

A

G
|
G

G

G

V
|
V

G

G

S

N

A

A

I

V

A

A

Y

Y

A

A

L

L

A

V

E

T

A

H

G

G

I

V

A

Q

S

K

I

L

T

Q

L

V

C

A

D
|
D

P
x
L

S

D

T

T

A

S

R
|
R

M

A

G

Q

A

A

V

L

C

A

E

D

L

V

L

I

G

N

N

N

G

A

F

V

-

G

P

R

G

E

L

A

T

V

V

V

S

G

T

V

Q

D

F

A

S

R

G

G

L

I

E

E

D

D

F

V

-

I

-

A

D

D

L

G

V

V

A

V

N

N

A

A

S
x
T

P
|
P

V

M

G

G

M
|
M

G

P

T

A

R

H

A

-

E

-

L

-

P

P

L

G

S

T

A
|
A

A

F

L

D

L

V

A

S

T

C

L

L

Q

T

P

K

D

D

T

H

L

W

V

V

A

G

D

D

V
|
V

V

V

T
x
Y

S

M

P

P

E

I

I

E

T

T

P

E

L

L

N

K

R

A

A

A

R

R

Q

A

V

L

G

G

C

C

R

E

I

T

Q

L

T

D

G

G

P

T

E

R

M

M

A
|
A

F

I

A

H

Q
|
Q

L

A

G

-

H

-

L

V

G

D

A

A

F

F

M

R

G

L

V

F

T

T

P

G

L

L

E

E

binding nicotinamide-adenine-dinucleotide: V132 (≠ I131), G135 (= G134), V137 (= V136), D157 (= D156), L158 (≠ P157), R162 (= R161), T201 (≠ S195), P202 (= P196), M205 (= M199), A212 (= A209), V227 (= V224), Y229 (≠ T226), A254 (= A251)
binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: N66 (≠ V65), T68 (= T67), K72 (= K71), N93 (= N92), D109 (= D108), Q257 (= Q254)

Sites not aligning to the query:

binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: 16, 18

3jyoA Quinate dehydrogenase from corynebacterium glutamicum in complex with NAD (see paper)
35% identity, 78% coverage: 58:268/269 of query aligns to 59:269/282 of 3jyoA

query
sites
3jyoA

W

Y

Q

L

N

G

L

F

R

N

G

G

C

L

V

N

V

I

T

T

V

H

P

P

Y

Y

K

K

Q

Q

A

A

L

V

A

L

N

P

R

L

V

L

D

D

G

E

L

V

S

S

E

E

R

Q

A

A

A

T

A

Q

L

L

G

G

S

A

I

V

N

N

V

T

I

V

R

V

R

I

E

D

R

A

D

T

G

G

R

H

L

T

G

G

D

H

N

N

V

T

D

D

G

V

A

S

G

G

F

F

L

-

G

G

A

R

A

G

H

M

K

E

H

E

G

G

F

L

E

P

P

N

A

A

G

K

-

L

K

D

R

S

A

V

L

V

V

Q

I
x
V

G

G

C

A

G
|
G

G

G

V
|
V

G

G

S

N

A

A

I

V

A

A

Y

Y

A

A

L

L

A

V

E

T

A

H

G

G

I

V

A

Q

S

K

I

L

T

Q

L

V

C

A

D
|
D

P
x
L

S

D

T

T

A

S

R
|
R

M

A

G

Q

A

A

V

L

C

A

E

D

L

V

L

I

G

N

N

N

G

A

F

V

-

G

P

R

G

E

L

A

T

V

V

V

S

G

T

V

Q

D

F

A

S

R

G

G

L

I

E

E

D

D

F

V

-

I

-

A

D

D

L

G

V

V

A

V

N

N

A

A

S
x
T

P
|
P

V

M

G

G

M
|
M

G

P

T

A

R

H

A

-

E

-

L

-

P

P

L

G

S

T

A

A

A

F

L

D

L

V

A

S

T

C

L

L

Q

T

P

K

D

D

T

H

L

W

V

V

A

G

D

D

V
|
V

V

V

T
x
Y

S

M

P

P

E

I

I

E

T

T

P

E

L

L

N

K

R

A

A

A

R

R

Q

A

V

L

G

G

C

C

R

E

I

T

Q

L

T

D

G

G

P

T

E

R

M

M

A
|
A

F

I

A

H

Q

Q

L

A

G

-

H

-

L

V

G

D

A

A

F

F

M

R

G

L

V

F

T

T

P

G

L

L

E

E

binding nicotinamide-adenine-dinucleotide: V132 (≠ I131), G135 (= G134), V137 (= V136), D157 (= D156), L158 (≠ P157), R162 (= R161), T201 (≠ S195), P202 (= P196), M205 (= M199), V227 (= V224), Y229 (≠ T226), A254 (= A251)

3pgjA 2.49 angstrom resolution crystal structure of shikimate 5- dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate
28% identity, 87% coverage: 10:242/269 of query aligns to 5:231/272 of 3pgjA

query
sites
3pgjA

A

A

I

V

V

F

G

G

S

N

P

P

I

I

A

N

Q

H

V
x
S

K

K

S
|
S

P

P

Q

F

N

I

F

H

N

T

T

L

W

F

F

A

N

R

H

Q

N

T

N

Q

C

Q

N

S

L

M

A

I

M

Y

-

T

-

A

-

Q

-

C

L

V

P

P

I

V

D

D

-

G

L

F

H

T

E

E

A

A

L

K

D

H

S

F

F

F

A

A

D

-

T

-

L

-

R

-

G

-

W

-

Q

Q

N

G

L

G

R

R

G

G

C

C

V
x
N

V

V

T
|
T

V

V

P

P

Y

F

K
|
K

Q

E

A

E

L

A

A

Y

N

R

R

F

V

A

D

D

G

R

L

L

S

T

E

E

R

R

A

A

A

R

A

L

L

A

G

G

S

A

I

V

N
|
N

V

T

I

L

R

K

E

L

R

D

D

D

G

G

R

E

L

I

L

L

G

G

D

D

N

N

V

T

D
|
D

G

G

A

E

G

G

F

L

L

V

G

Q

A

D

A

L

H

L

K

A

H

Q

G

Q

F

V

E

L

P

L

A

K

G

G

K

A

R

T

A

I

L

L

V

L

I

I

G

G

C

A

G

G

V

A

G

A

S

R

A

G

I

V

A

L

Y

K

A

P

L

L

A

L

E

D

A

Q

G

Q

I

P

A

A

S

S

I

I

T

T

L

V

C

T

D

N

P

R

S

T

T

F

A

A

R

K

M

A

G

E

A

Q

V

L

C

A

E

E

L

L

L

V

G

A

N

A

G

-

F

-

P

Y

G

G

L

E

T

V

V

K

S

A

T

Q

Q

A

F

F

S

E

G

Q

L

L

-

K

E

Q

D

S

F

Y

D

D

L

V

V

I

A

I

N

N

A

S

S

T

P

S

V

A

G

S

M

L

G

D

T

-

R

-

A

G

E

E

L

L

P

P

L

A

S

I

A

D

A

P

L

V

L

I

A

-

T

-

L

F

Q

S

P

S

D

R

T

S

L

V

V

C

A

Y

D

D

V

M

T

Y

S

G

P

K

E

G

I

Y

T

T

P

V

L

F

L

N

N

Q

R

W

A

A

R

R

Q

Q

V

H

G

G

C

C

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (≠ V19), S16 (= S21), N59 (≠ V65), T61 (= T67), K65 (= K71), N86 (= N92), D102 (= D108)

Sites not aligning to the query:

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 244

Query Sequence

>PP_2608 FitnessBrowser__Putida:PP_2608
MIRGSTELVAIVGSPIAQVKSPQNFNTWFNHNNCNLAMLPIDLHEAALDSFADTLRGWQN
LRGCVVTVPYKQALANRVDGLSERAAALGSINVIRRERDGRLLGDNVDGAGFLGAAHKHG
FEPAGKRALVIGCGGVGSAIAYALAEAGIASITLCDPSTARMGAVCELLGNGFPGLTVST
QFSGLEDFDLVANASPVGMGTRAELPLSAALLATLQPDTLVADVVTSPEITPLLNRARQV
GCRIQTGPEMAFAQLGHLGAFMGVTPLEI

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