SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AZOBR_RS01765 FitnessBrowser__azobra:AZOBR_RS01765 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, 94% coverage: 3:265/279 of query aligns to 2:254/267 of 2hk9B

query
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2hk9B

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binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V68), G130 (= G134), G133 (= G137), A134 (= A138), N153 (= N158), R154 (= R159), T155 (= T160), K158 (≠ R163), T188 (= T197), S189 (≠ T198), V190 (≠ Q199), I214 (= I223), M238 (= M249), L239 (= L250)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S20), S21 (= S22), N64 (= N65), T66 (= T67), K70 (= K71), N91 (= N92), D106 (= D108), Y216 (= Y225), L239 (= L250), Q242 (= Q253)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
37% identity, 94% coverage: 3:265/279 of query aligns to 2:254/269 of 2hk9A

query
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2hk9A

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binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V68), G132 (= G136), G133 (= G137), A134 (= A138), N153 (= N158), R154 (= R159), T155 (= T160), T188 (= T197), S189 (≠ T198), V190 (≠ Q199)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S20), S21 (= S22), N64 (= N65), K70 (= K71), N91 (= N92), D106 (= D108), Y216 (= Y225), L239 (= L250), Q242 (= Q253)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
37% identity, 94% coverage: 3:265/279 of query aligns to 2:254/269 of O67049

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O67049

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SLS 19:21 (≠ SRS 20:22) binding
D82 (≠ A83) binding
N91 (= N92) binding
D106 (= D108) binding
GAGGA 130:134 (= GAGGA 134:138) binding
I214 (= I223) binding
Y216 (= Y225) binding
G235 (= G246) binding
Q242 (= Q253) binding

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
32% identity, 96% coverage: 12:278/279 of query aligns to 5:263/269 of Q5HNV1

query
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Q5HNV1

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SLS 13:15 (≠ SRS 20:22) binding
T60 (= T67) binding
N85 (= N92) binding
D100 (= D108) binding
Y211 (= Y225) 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

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
32% identity, 96% coverage: 12:278/279 of query aligns to 5:254/258 of 3dooA

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3dooA

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E

G

G

W

-

K

-

A

I

A

E

D

D

G

A

P

Y

A

I

L

L

V

I

I

L

G

G

A

A

G

G

A

A

A

S

R

K

A

G

V

I

V

A

A

N

S

E

L

L

L

Y

D

K

E

I

G

V

A

R

P

P

R

T

V

L

W

T

L

V

V

A

N

N

R

R

T

T

R

M

A

S

R

R

A

F

D

N

E

N

L

W

A

S

A

L

D

N

I

I

G

N

G

-

A

-

I

-

E

-

T

K

A

I

D

N

W

L

V

S

S

H

R

A

E

E

T

S

L

H

L

L

E

D

G

E

A

F

A

D

L

I

V

I

N

N

T

T

T

-

Q

-

G

-

M

-

A

-

G

-

Q

-

P

P

P

V

L

I

E

S

L

L

N

N

L

-

R

-

A

R

L

L

P

A

G

S

S

H

A

T

V

L

V

V

T

S

D

D

I

I

V

V

Y

Y

T

N

P

P

L

Y

M

K

T

T

P

P

L

I

L

L

T

I

A

E

A

A

Q

E

A

Q

R

R

G

G

N

N

R

P

V

I

V

Y

D

N

G

G

V

L

G

D

M

M

L
x
F

L

V

H

H

Q
|
Q

A

G

R

A

P

E

G

S

F

F

A

K

A

I

W

W

F

T

G

N

R

L

E

E

P

P

E

D

V

I

T

-

E

K

G

A

L

M

K

K

A

N

A

I

V

V

L

I

Q

Q

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S20), S15 (= S22), N58 (= N65), T60 (= T67), K64 (= K71), N85 (= N92), D100 (= D108), F227 (≠ L250), Q230 (= Q253)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
36% identity, 95% coverage: 1:265/279 of query aligns to 1:274/288 of 1npdB

query
sites
1npdB

M

M

T

D

I

V

S

T

G

A

K

K

A

Y

T

E

L

L

A

I

G

G

V

L

M

M

G

A

W

Y

P

P

I

I

G

R

H

H

S

S

R

L

S

S

P

P

R

E

L

M

H

Q

G

N

Y

K

W

A

L

L

E

E

Q

K

Y

A

G

G

I

L

D

P

G

F

A

T

Y

Y

V

M

P

A

L

F

A

E

V

V

P

D

P

N

D

D

R

S

I

F

E

P

Q

G

A

A

I

I

R

E

A

G

L

L

P

K

A

A

L

L

G

K

F

M

R

R

G

G

C

T

N

G

V

V

T

S

V

M

P

P

H

N

K

K

E

Q

A

L

A

A

C

C

R

E

T

Y

V

V

D

D

R

E

L

L

D

T

A

P

T

A

A

A

K

K

R

L

M

V

G

G

A

A

V

I

N

N

T

T

I

I

V

-

V

V

G

N

E

D

N

D

G

G

S

Y

L

L

E

R

G

G

R

Y

N

N

T

T

D

D

G

G

F

T

G

G

F

H

I

I

E

R

N

A

L

I

R

K

S

E

G

-

A

-

P

S

G

G

W

F

K

D

A

I

A

K

D

G

G

K

P

T

A

M

L

V

V

L

I

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

V

I

V

G

A

A

S

Q

L

G

L

A

D

I

E

E

G

G

A

L

P

K

R

E

V

I

W

K

L

L

V

F

N
|
N

R
|
R

T

R

R
x
D

A

E

R
x
F

A

F

D

D

E

K

L

A

A

L

A

A

D

F

I

A

G

Q

G

R

A

V

I

N

E

E

T

N

A

T

D

D

W

C

V

V

S

V

R

T

E

V

T

T

-

D

-

L

-

A

-

D

-

Q

-

A

-

F

-

A

-

E

L

A

L

L

E

A

G

S

A

A

A

D

L

I

V

L

V

T

N

N

T

G

T
|
T

T
x
K

Q
x
V

G

G

M
|
M

A

-

G

-

Q

-

P

K

P

P

L

L

E

E

-

N

-

E

-

S

-

L

-

V

L

N

N

D

L

I

R

S

A

L

L

L

P

H

G

P

S

G

A

L

V

L

V

V

T

T

D

E

I
x
C

V

V

Y

Y

T

N

P

P

L

H

M

M

T

T

P

K

L

L

T

Q

A

Q

A

A

Q

Q

A

Q

R

A

G

G

N

C

R

K

V

T

V

I

D

D

G

G

V

Y

G

G

M
|
M

L
|
L

L

L

H

W

Q

Q

A

G

R

A

P

E

G

Q

F

F

A

T

A

L

W

W

F

T

G

G

R

K

E

D

binding nicotinamide-adenine-dinucleotide: A132 (= A135), G133 (= G136), G134 (= G137), A135 (= A138), N155 (= N158), R156 (= R159), D158 (≠ R161), F160 (≠ R163), T204 (= T197), K205 (≠ T198), V206 (≠ Q199), M208 (= M201), C232 (≠ I223), M258 (= M249), L259 (= L250)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
36% identity, 95% coverage: 1:265/279 of query aligns to 1:274/288 of P0A6D5

query
sites
P0A6D5

M
|
M

T

D

I

V

S

T

G

A

K

K

A

Y

T

E

L

L

A

I

G

G

V

L

M

M

G

A

W

Y

P

P

I

I

G

R

H

H

S

S

R

L

S
|
S

P

P

R

E

L

M

H

Q

G

N

Y

K

W

A

L

L

E

E

Q

K

Y

A

G

G

I

L

D

P

G

F

A

T

Y
|
Y

V

M

P

A

L

F

A

E

V

V

P

D

P

N

D

D

R

S

I

F

E

P

Q

G

A

A

I

I

R

E

A

G

L

L

P

K

A

A

L

L

G

K

F

M

R

R

G

G

C

T

N

G

V

V

T
x
S

V

M

P

P

H

N

K
|
K

E

Q

A

L

A

A

C

C

R

E

T

Y

V

V

D

D

R

E

L

L

D

T

A

P

T

A

A

A

K

K

R

L

M

V

G

G

A

A

V

I

N
|
N

T

T

I

I

V

-

V

V

G

N

E

D

N

D

G

G

S

Y

L

L

E

R

G

G

R

Y

N

N

T
|
T

D
|
D

G

G

F

T

G

G

F

H

I

I

E

R

N

A

L

I

R

K

S

E

G

-

A

-

P

S

G

G

W

F

K

D

A

I

A

K

D

G

G

K

P

T

A

M

L

V

V

L

I

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

V

I

V

G

A

A

S

Q

L

G

L

A

D

I

E

E

G

G

A

L

P

K

R

E

V

I

W

K

L

L

V

F

N
|
N

R
|
R

T
x
R

R
x
D

A

E

R

F

A

F

D

D

E

K

L

A

A

L

A

A

D

F

I

A

G

Q

G

R

A

V

I

N

E

E

T

N

A

T

D

D

W

C

V

V

S

V

R

T

E

V

T

T

-

D

-

L

-

A

-

D

-

Q

-

A

-

F

-

A

-

E

L

A

L

L

E

A

G

S

A

A

A

D

L

I

V

L

V

T

N

N

T

G

T

T

T
x
K

Q

V

G

G

M

M

A

-

G

-

Q

-

P

K

P

P

L

L

E

E

-

N

-

E

-

S

-

L

-

V

L

N

N

D

L

I

R

S

A

L

L

L

P

H

G

P

S

G

A

L

V

L

V

V

T

T

D

E

I
x
C

V
|
V

Y
|
Y

T
x
N

P

P

L

H

M

M

T

T

P

K

L

L

T

Q

A

Q

A

A

Q

Q

A

Q

R

A

G

G

N

C

R

K

V

T

V

I

D

D

G
|
G

V

Y

G

G

M

M

L

L

H

W

Q
|
Q

A

G

R

A

P

E

G

Q

F

F

A

T

A

L

W

W

F

T

G

G

R

K

E

D

M1 (= M1) modified: Initiator methionine, Removed
S22 (= S22) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y39) 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 (= T107) 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 (= AGGA 135:138) binding
NRRD 155:158 (≠ NRTR 158:161) binding
K205 (≠ T198) binding
CVYN 232:235 (≠ IVYT 223:226) binding
G255 (= G246) binding
Q262 (= Q253) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

3pgjA 2.49 angstrom resolution crystal structure of shikimate 5- dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate
35% identity, 94% coverage: 12:273/279 of query aligns to 6:264/272 of 3pgjA

query
sites
3pgjA

V

V

M

F

G

G

W

N

P

P

I

I

G

N

H

H

S
|
S

R

K

S
|
S

P

P

R

F

L

I

H

H

G

T

Y

L

W

F

L

A

E

R

Q

Q

Y

T

G

Q

I

Q

D

S

G

M

A

I

Y

Y

V

T

P

A

L

Q

A

C

V

V

P

P

P

V

D

D

R

G

I

F

E

T

Q

E

A

A

I

A

R

K

A

H

L

F

P

F

A

A

L

Q

G

G

F

G

R

R

G

G

C

C

N
|
N

V

V

T
|
T

V

V

P

P

H

F

K
|
K

E

E

A

E

A

A

C

Y

R

R

T

F

V

A

D

D

R

R

L

L

D

T

A

E

T

R

A

A

K

R

R

L

M

A

G

G

A

A

V

V

N
|
N

T

T

I

L

V

K

G

L

E

D

N

D

G

G

S

E

L

I

E

L

G

G

R

D

N

N

T

T

D
|
D

G

G

F

E

G

G

F

L

I

V

E

Q

N

D

L

L

R

L

S

A

G

Q

A

Q

P

V

G

L

W

L

K

K

A

G

A

A

D

-

G

-

P

T

A

I

L

L

V

L

I

I

G

G

A

A

G

G

A

A

R

R

A

G

V

V

V

L

A

K

S

P

L

L

D

D

E

Q

G

Q

A

P

P

A

R

S

V

I

W

T

L

V

V

T

N

N

R

R

T

T

R

F

A

A

R

K

A

A

D

E

E

Q

L

L

A

-

A

A

D

E

I

L

G

V

G

A

A

A

I

Y

E

G

T

E

A

V

D

K

W

A

V

Q

S

A

R

F

E

E

T

Q

L

L

L

K

E

Q

G

S

A

Y

A

D

L

V

V

I

N

N

T

S

T

T

T

S

Q

A

G

S

M

L

A

D

G

G

Q

E

P

L

P

P

L

-

E

A

L

I

N

D

L

P

R

V

A

I

L

F

P

S

G

S

S

R

A

S

V

V

V

C

T

Y

D

D

I

M

V

M

Y

Y

T

G

P

K

L

G

M

Y

T

T

P

V

L

F

L

N

T

Q

A

W

A

A

Q

R

A

Q

R

H

G

G

N

C

-

A

R

Q

V

A

V

I

D

D

G

G

V

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

R

A

P

E

G

S

F

F

A

M

A

L

W

W

F

R

G

G

R

L

E

R

P

P

E

G

V

T

T

K

E

Q

G

I

L

L

K

R

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S20), S16 (= S22), N59 (= N65), T61 (= T67), K65 (= K71), N86 (= N92), D102 (= D108), Q244 (= Q253)

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
35% identity, 94% coverage: 12:273/279 of query aligns to 10:268/278 of Q9KVT3

query
sites
Q9KVT3

V

V

M

F

G

G

W

N

P

P

I

I

G

N

H

H

S
|
S

R
x
K

S
|
S

P

P

R

F

L

I

H

H

G

T

Y

L

W

F

L

A

E

R

Q

Q

Y

T

G

Q

I

Q

D

S

G

M

A

I

Y

Y

V

T

P

A

L

Q

A

C

V

V

P

P

P

V

D

D

R

G

I

F

E

T

Q

E

A

A

I

A

R

K

A

H

L

F

P

F

A

A

L

Q

G

G

F

G

R

R

G

G

C

C

N

N

V

V

T

T

V

V

P

P

H

F

K

K

E

E

A

E

A

A

C

Y

R

R

T

F

V

A

D

D

R

R

L

L

D

T

A

E

T

R

A

A

K

R

R

L

M

A

G

G

A

A

V

V

N
|
N

T

T

I

L

V

K

G

L

E

D

N

D

G

G

S

E

L

I

E

L

G

G

R

D

N

N

T

T

D
|
D

G

G

F

E

G

G

F

L

I

V

E

Q

N

D

L

L

R

L

S

A

G

Q

A

Q

P

V

G

L

W

L

K

K

A

G

A

A

D

-

G

-

P

T

A

I

L

L

V

L

I

I

G

G

A

A

G

G

A

A

R

R

A

G

V

V

V

L

A

K

S

P

L

L

D

D

E

Q

G

Q

A

P

P

A

R

S

V

I

W

T

L

V

V

T

N
|
N

R
|
R

T
|
T

R
x
F

A
|
A

R
x
K

A

A

D

E

E

Q

L

L

A

-

A

A

D

E

I

L

G

V

G

A

A

A

I

Y

E

G

T

E

A

V

D

K

W

A

V

Q

S

A

R

F

E

E

T

Q

L

L

L

K

E

Q

G

S

A

Y

A

D

L

V

V

I

N

N

T

S

T

T

T

S

Q

A

G

S

M

L

A

D

G

G

Q

E

P

L

P

P

L

-

E

A

L

I

N

D

L

P

R

V

A

I

L

F

P

S

G

S

S

R

A

S

V

V

V

C

T

Y

D

D

I

M

V

M

Y

Y

T

G

P

K

L

G

M

Y

T

T

P

V

L

F

L

N

T

Q

A

W

A

A

Q

R

A

Q

R

H

G

G

N

C

-

A

R

Q

V

A

V

I

D

D

G

G

V

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

R

A

P

E

G

S

F

F

A

M

A

L

W

W

F

R

G

G

R

L

E

R

P

P

E

G

V

T

T

K

E

Q

G

I

L

L

K

R

SKS 18:20 (≠ SRS 20:22) binding
N90 (= N92) binding
D106 (= D108) binding
NRTFAK 154:159 (≠ NRTRAR 158:163) binding
Q248 (= Q253) binding

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
36% identity, 92% coverage: 9:265/279 of query aligns to 3:268/280 of 1o9bA

query
sites
1o9bA

L

L

A

I

G

G

V

L

M

M

G

A

W

Y

P

P

I

I

G

R

H

H

S

S

R

L

S

S

P

P

R

E

L

M

H

Q

G

N

Y

K

W

A

L

L

E

E

Q

K

Y

A

G

G

I

L

D

P

G

F

A

T

Y

Y

V

M

P

A

L

F

A

E

V

V

P

D

P

N

D

D

R

S

I

F

E

P

Q

G

A

A

I

I

R

E

A

G

L

L

P

K

A

A

L

L

G

K

F

M

R

R

G

G

C

T

N

G

V

V

T

S

V

M

P

P

H

N

K

K

E

Q

A

L

A

A

C

C

R

E

T

Y

V

V

D

D

R

E

L

L

D

T

A

P

T

A

A

A

K

K

R

L

M

V

G

G

A

A

V

I

N

N

T

T

I

I

V

-

V

V

G

N

E

D

N

D

G

G

S

Y

L

L

E

R

G

G

R

Y

N

N

T

T

D

D

G

G

F

T

G

G

F

H

I

I

E

R

N

A

L

I

R

K

S

E

G

S

A

-

P

-

G

G

W

F

K

D

A

I

A

K

D

G

G

K

P

T

A

M

L

V

V

L

I

L

G

G

A
|
A

G
|
G

A
|
A

A

S

R

T

A

A

V

I

V

G

A

A

S

Q

L

G

L

A

D

I

E

E

G

G

A

L

P

K

R

E

V

I

W

K

L

L

V

F

N

N

R
|
R

T

R

R

D

A

E

R
x
F

A

F

D

D

E

K

L

A

A

L

A

A

D

F

I

A

G

Q

G

R

A

V

I

N

E

E

T

N

A

T

D

D

W

C

V

V

S

V

R

T

E

V

T

T

-

D

-

L

-

A

-

D

-

Q

-

A

-

F

-

A

-

E

L

A

L

L

E

A

G

S

A

A

A

D

L

I

V

L

V

T

N

N

T

G

T

T

T
x
K

Q
x
V

G

G

M
|
M

A

-

G

-

Q

-

P

K

P

P

L

L

E

E

-

N

-

E

-

S

-

L

-

V

L

N

N

D

L

I

R

S

A

L

L

L

P

H

G

P

S

G

A

L

V

L

V

V

T

T

D

E

I
x
C

V

V

Y
|
Y

T

N

P

P

L

H

M

M

T

T

P

K

L

L

T

Q

A

Q

A

A

Q

Q

A

Q

R

A

G

G

N

C

R

K

V

T

V

I

D

D

G

G

V

Y

G

G

M
|
M

L
|
L

L

L

H

W

Q

Q

A

G

R

A

P

E

G

Q

F

F

A

T

A

L

W

W

F

T

G

G

R

K

E

D

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A135), G127 (= G136), G128 (= G137), A129 (= A138), R150 (= R159), F154 (≠ R163), K199 (≠ T198), V200 (≠ Q199), M202 (= M201), C226 (≠ I223), Y228 (= Y225), M252 (= M249), L253 (= L250)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
34% identity, 99% coverage: 3:278/279 of query aligns to 7:283/287 of 1nvtB

query
sites
1nvtB

I

I

S

N

G

A

K

K

A

T

T

K

L

V

A

I

G

G

V

L

M

I

G

G

W

H

P

P

I

V

G
x
E

H
|
H

S

S

R

F

S

S

P

P

R

I

L

M

H

H

G

N

Y

A

W

A

L

F

E

K

Q

D

Y

K

G

G

I

L

D

N

G

Y

A

V

Y

Y

V

V

P

A

L

F

A

D

V

V

P

L

P

P

D

E

R

N

I

L

E

K

Q

Y

A

V

I

I

R

D

A

G

L

A

P

K

A

A

L

L

G

G

F

I

R

V

G

G

C

F

N

N

V

V

T

T

V
x
I

P

P

H

H

K
|
K

E

I

A

E

A

I

C

M

R

K

T

Y

V

L

D

D

R

E

L

I

D

D

A

K

T

D

A

A

K

Q

R

L

M

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

V

I

G

-

E

E

N

D

G

G

S

K

L

A

E

I

G

G

R

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

F

A

I

R

E

M

N

A

L

L

R

E

S

E

G

E

A

I

P

-

G

-

W

G

K

R

A

V

A

K

D

D

G

K

P

N

A

I

L

V

V

I

I

Y

G
|
G

A

A

G
|
G

A
|
A

A

A

R

R

A

A

V

V

V

A

A

F

S

E

L

L

L

A

D

K

E

D

G

N

A

-

P

-

R

N

V

I

W

I

L

I

V

A

N
|
N

R
|
R

T
|
T

R

V

A

E

R
x
K

A

A

D

E

E

A

L

L

A

A

A

K

D

E

I

I

G

A

G

E

A

K

I

L

-

N

-

K

-

F

-

G

E

E

T

E

A

V

D

K

W

F

V

S

S

G

R

L

E

D

T

V

L

D

L

L

E

D

G

G

A

V

A

D

L

I

V

I

N

N

T
x
A

T
|
T

T
x
P

Q
x
I

G

G

M
|
M

A

Y

G

P

Q

N

P

I

P

D

L

V

E

E

L

P

N

I

L

V

R

K

A

A

-

E

-

K

L

L

P

R

G

E

S

D

A

M

V

V

T

M

D

D

I
x
L

V

I

Y
|
Y

T

N

P

P

L

L

M

E

T

T

P

V

L

L

T

K

A

E

A

A

Q

K

A

K

R

V

G

N

N

A

R

K

V

T

V

I

D

N

G

G

V

L

G

G

M
|
M

L
|
L

L

I

H

Y

Q

Q

A

G

R

A

P

V

G

A

F

F

A

K

A

I

W

W

F

T

G

G

R

V

E

E

P

P

E

N

V

I

T

-

E

E

G

V

L

M

K

K

A

N

A

A

V

I

L

I

Q

D

active site: K75 (= K71), D111 (= D108)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ V68), G135 (= G134), G137 (= G136), G138 (= G137), A139 (= A138), N157 (= N158), R158 (= R159), T159 (= T160), K162 (≠ R163), A200 (≠ T196), T201 (= T197), P202 (≠ T198), I203 (≠ Q199), M205 (= M201), L229 (≠ I223), Y231 (= Y225), M255 (= M249), L256 (= L250)
binding zinc ion: E22 (≠ G18), H23 (= H19)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
34% identity, 99% coverage: 3:278/279 of query aligns to 7:283/287 of 1nvtA

query
sites
1nvtA

I

I

S

N

G

A

K

K

A

T

T

K

L

V

A

I

G

G

V

L

M

I

G

G

W

H

P

P

I

V

G

E

H

H

S

S

R

F

S

S

P

P

R

I

L

M

H

H

G

N

Y

A

W

A

L

F

E

K

Q

D

Y

K

G

G

I

L

D

N

G

Y

A

V

Y

Y

V

V

P

A

L

F

A

D

V

V

P

L

P

P

D

E

R

N

I

L

E

K

Q

Y

A

V

I

I

R

D

A

G

L

A

P

K

A

A

L

L

G

G

F

I

R

V

G

G

C

F

N

N

V

V

T

T

V

I

P

P

H

H

K
|
K

E

I

A

E

A

I

C

M

R

K

T

Y

V

L

D

D

R

E

L

I

D

D

A

K

T

D

A

A

K

Q

R

L

M

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

V

I

G

-

E

E

N

D

G

G

S

K

L

A

E

I

G

G

R

Y

N

N

T

T

D
|
D

G

G

F

I

G

G

F

A

I

R

E

M

N

A

L

L

R

E

S

E

G

E

A

I

P

-

G

-

W

G

K

R

A

V

A

K

D

D

G

K

P

N

A

I

L

V

V

I

I

Y

G
|
G

A

A

G

G

A
|
A

A

A

R

R

A

A

V

V

V

A

A

F

S

E

L

L

L

A

D

K

E

D

G

N

A

-

P

-

R

N

V

I

W

I

L

I

V

A

N
|
N

R
|
R

T
|
T

R

V

A

E

R
x
K

A

A

D

E

E

A

L

L

A

A

A

K

D

E

I

I

G

A

G

E

A

K

I

L

-

N

-

K

-

F

-

G

E

E

T

E

A

V

D

K

W

F

V

S

S

G

R

L

E

D

T

V

L

D

L

L

E

D

G

G

A

V

A

D

L

I

V

I

N

N

T
x
A

T
|
T

T
x
P

Q
x
I

G

G

M
|
M

A

Y

G

P

Q

N

P

I

P

D

L

V

E

E

L

P

N

I

L

V

R

K

A

A

-

E

-

K

L

L

P

R

G

E

S

D

A

M

V

V

T

M

D

D

I
x
L

V

I

Y
|
Y

T

N

P

P

L

L

M

E

T

T

P

V

L

L

T

K

A

E

A

A

Q

K

A

K

R

V

G

N

N

A

R

K

V

T

V

I

D

N

G
|
G

V

L

G

G

M
|
M

L
|
L

L

I

H

Y

Q

Q

A

G

R

A

P

V

G

A

F

F

A

K

A

I

W

W

F

T

G

G

R

V

E

E

P

P

E

N

V

I

T

-

E

E

G

V

L

M

K

K

A

N

A

A

V

I

L

I

Q

D

active site: K75 (= K71), D111 (= D108)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G134), A139 (= A138), N157 (= N158), R158 (= R159), T159 (= T160), K162 (≠ R163), A200 (≠ T196), T201 (= T197), P202 (≠ T198), I203 (≠ Q199), M205 (= M201), L229 (≠ I223), Y231 (= Y225), G252 (= G246), M255 (= M249), L256 (= L250)

Q58484 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) (Methanococcus jannaschii) (see paper)
34% identity, 99% coverage: 3:278/279 of query aligns to 2:278/282 of Q58484

query
sites
Q58484

I

I

S

N

G

A

K

K

A

T

T

K

L

V

A

I

G

G

V

L

M

I

G

G

W

H

P

P

I

V

G

E

H

H

S

S

R

F

S

S

P

P

R

I

L

M

H

H

G

N

Y

A

W

A

L

F

E

K

Q

D

Y

K

G

G

I

L

D

N

G

Y

A

V

Y

Y

V

V

P

A

L

F

A

D

V

V

P

L

P

P

D

E

R

N

I

L

E

K

Q

Y

A

V

I

I

R

D

A

G

L

A

P

K

A

A

L

L

G

G

F

I

R

V

G

G

C

F

N

N

V

V

T

T

V

I

P

P

H

H

K

K

E

I

A

E

A

I

C

M

R

K

T

Y

V

L

D

D

R

E

L

I

D

D

A

K

T

D

A

A

K

Q

R

L

M

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

V

I

G

-

E

E

N

D

G

G

S

K

L

A

E

I

G

G

R

Y

N

N

T

T

D

D

G

G

F

I

G

G

F

A

I

R

E

M

N

A

L

L

R

E

S

E

G

E

A

I

P

-

G

-

W

G

K

R

A

V

A

K

D

D

G

K

P

N

A

I

L

V

V

I

I

Y

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

R

A

A

V

V

V

A

A

F

S

E

L

L

L

A

D

K

E

D

G

N

A

-

P

-

R

N

V

I

W

I

L

I

V

A

N
|
N

R
|
R

T
|
T

R
x
V

A
x
E

R
x
K

A

A

D

E

E

A

L

L

A

A

A

K

D

E

I

I

G

A

G

E

A

K

I

L

-

N

-

K

-

F

-

G

E

E

T

E

A

V

D

K

W

F

V

S

S

G

R

L

E

D

T

V

L

D

L

L

E

D

G

G

A

V

A

D

L

I

V

I

N

N

T

A

T
|
T

T

P

Q

I

G

G

M
|
M

A

Y

G

P

Q

N

P

I

P

D

L

V

E

E

L

P

N

I

L

V

R

K

A

A

-

E

-

K

L

L

P

R

G

E

S

D

A

M

V

V

T

M

D

D

I
x
L

V

I

Y

Y

T

N

P

P

L

L

M

E

T

T

P

V

L

L

T

K

A

E

A

A

Q

K

A

K

R

V

G

N

N

A

R

K

V

T

V

I

D

N

G

G

V

L

G

G

M

M

L

L

L

I

H

Y

Q

Q

A

G

R

A

P

V

G

A

F

F

A

K

A

I

W

W

F

T

G

G

R

V

E

E

P

P

E

N

V

I

T

-

E

E

G

V

L

M

K

K

A

N

A

A

V

I

L

I

Q

D

GAGGA 130:134 (= GAGGA 134:138) binding
NRTVEK 152:157 (≠ NRTRAR 158:163) binding
T196 (= T197) binding
M200 (= M201) binding
L224 (≠ I223) binding

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
36% identity, 94% coverage: 12:273/279 of query aligns to 6:264/271 of 1nytA

query
sites
1nytA

V

V

M

F

G

G

W

N

P

P

I

I

G

A

H

H

S

S

R

K

S

S

P

P

R

F

L

I

H

H

G

Q

Y

Q

W

F

L

A

E

Q

Q

Q

Y

L

G

N

I

I

D

E

G

H

A

P

Y

Y

V

G

P

R

L

V

A

L

V

A

P

P

P

I

D

N

R

D

I

F

E

I

Q

N

A

T

I

L

R

N

A

A

L

F

P

F

A

S

L

A

G

G

F

G

R

K

G

G

C

A

N

N

V

V

T

T

V

V

P

P

H

F

K
|
K

E

E

A

E

A

A

C

F

R

A

T

R

V

A

D

D

R

E

L

L

D

T

A

E

T

R

A

A

K

A

R

L

M

A

G

G

A

A

V

V

N

N

T

T

I

L

V

M

V

R

G

L

E

E

N

D

G

G

S

R

L

L

E

L

G

G

R

D

N

N

T

T

D
|
D

G

G

F

V

G

G

F

L

I

L

E

S

N

D

L

L

R

E

S

R

G

L

A

S

-

F

-

I

-

R

P

P

G

G

W

L

K

R

A

-

D

-

G

-

P

-

A

I

L

L

V

L

I

I

G

G

A

A

G
|
G

A
|
A

A

S

R

R

A

G

V

V

V

L

A

L

S

P

L

L

D

S

E

L

G

D

A

C

P

A

R

-

V

V

W

T

L

I

V

T

N
|
N

R
|
R

T
|
T

R

V

A

S

R
|
R

A

A

D

E

E

E

L

L

A

A

A

K

D

L

I

F

G

A

-

H

-

T

G

G

A

S

I

I

E

Q

T

A

A

L

D

S

W

M

V

D

S

E

R

-

E

-

T

-

L

-

L

L

E

E

G

G

A

H

A

E

-

F

-

D

L

L

V

I

N

N

T

A

T
|
T

T
x
S

Q
x
S

G

G

M

I

A

S

G

G

Q

D

P

I

P

P

L

-

E

-

L

-

N

-

L

-

R

-

A

A

L

I

P

P

G

S

S

S

A

L

V

I

-

H

-

P

-

G

-

I

-

Y

V

C

T

Y

D

D

I
x
M

V

F

Y

Y

T

Q

P

K

L

G

M

K

T

T

P

P

L

F

L

L

T

A

A

W

A

C

Q

E

A

Q

R

R

G

G

N

S

-

K

R

R

V

N

V

A

D

D

G
|
G

V

L

G

G

M
|
M

L
|
L

L

V

H

A

Q

Q

A

A

R

A

P

H

G

A

F

F

A

L

W

W

F

H

G

G

R

V

E

L

P

P

E

D

V

V

T

E

E

P

G

V

L

I

K

K

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K71), D102 (= D108), G128 (= G136), G129 (= G137), A130 (= A138), N149 (= N158), R150 (= R159), T151 (= T160), R154 (= R163), T188 (= T197), S189 (≠ T198), S190 (≠ Q199), M213 (≠ I223), G237 (= G246), M240 (= M249), L241 (= L250)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
36% identity, 94% coverage: 12:273/279 of query aligns to 6:264/272 of P15770

query
sites
P15770

V

V

M

F

G

G

W

N

P

P

I

I

G

A

H

H

S

S

R

K

S

S

P

P

R

F

L

I

H

H

G

Q

Y

Q

W

F

L

A

E

Q

Q

Q

Y

L

G

N

I

I

D

E

G

H

A

P

Y

Y

V

G

P

R

L

V

A

L

V

A

P

P

P

I

D

N

R

D

I

F

E

I

Q

N

A

T

I

L

R

N

A

A

L

F

P

F

A

S

L

A

G

G

F

G

R

K

G

G

C

A

N

N

V

V

T

T

V

V

P

P

H

F

K

K

E

E

A

E

A

A

C

F

R

A

T

R

V

A

D

D

R

E

L

L

D

T

A

E

T

R

A

A

K

A

R

L

M

A

G

G

A

A

V

V

N

N

T

T

I

L

V

M

V

R

G

L

E

E

N

D

G

G

S

R

L

L

E

L

G

G

R

D

N

N

T

T

D

D

G

G

F

V

G

G

F

L

I

L

E

S

N

D

L

L

R

E

S

R

G

L

A

S

-

F

-

I

-

R

P

P

G

G

W

L

K

R

A

-

D

-

G

-

P

-

A

I

L

L

V

L

I

I

G
|
G

A
|
A

G
|
G

A
|
A

A

S

R

R

A

G

V

V

V

L

A

L

S

P

L

L

D

S

E

L

G

D

A

C

P

A

R

-

V

V

W

T

L

I

V

T

N
|
N

R
|
R

T
|
T

R
x
V

A
x
S

R
|
R

A

A

D

E

E

E

L

L

A

A

A

K

D

L

I

F

G

A

-

H

-

T

G

G

A

S

I

I

E

Q

T

A

A

L

D

S

W

M

V

D

S

E

R

-

E

-

T

-

L

-

L

L

E

E

G

G

A

H

A

E

-

F

-

D

L

L

V

I

N

N

T

A

T

T

T

S

Q

S

G

G

M

I

A

S

G

G

Q

D

P

I

P

P

L

-

E

-

L

-

N

-

L

-

R

-

A

A

L

I

P

P

G

S

S

S

A

L

V

I

-

H

-

P

-

G

-

I

-

Y

V

C

T

Y

D

D

I
x
M

V

F

Y

Y

T

Q

P

K

L

G

M

K

T

T

P

P

L

F

L

L

T

A

A

W

A

C

Q

E

A

Q

R

R

G

G

N

S

-

K

R

R

V

N

V

A

D

D

G
|
G

V

L

G

G

M

M

L

L

L

V

H

A

Q

Q

A

A

R

A

P

H

G

A

F

F

A

L

W

W

F

H

G

G

R

V

E

L

P

P

E

D

V

V

T

E

E

P

G

V

L

I

K

K

GAGGA 126:130 (= GAGGA 134:138) binding
NRTVSR 149:154 (≠ NRTRAR 158:163) binding
M213 (≠ I223) binding
G237 (= G246) binding

Q8ZPR4 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
35% identity, 95% coverage: 1:264/279 of query aligns to 1:273/288 of Q8ZPR4

query
sites
Q8ZPR4

M

M

T

D

I

V

S

T

G

A

K

K

A

Y

T

E

L

L

A

I

G

G

V

L

M

M

G

A

W

Y

P

P

I

I

G

R

H

H

S

S

R

L

S

S

P

P

R

E

L

M

H

Q

G

N

Y

K

W

A

L

L

E

E

Q

K

Y

A

G

G

I

L

D

P

G

Y

A

T

Y

Y

V

M

P

A

L

F

A

E

V

V

P

D

P

N

D

T

R

T

I

F

E

A

Q

S

A

A

I

I

R

E

A

G

L

L

P

K

A

A

L

L

G

K

F

M

R

R

G

G

C

T

N

G

V

V

T

S

V

M

P

P

H

N

K

K

E

Q

A

L

A

A

C

C

R

E

T

Y

V

V

D

D

R

E

L

L

D

T

A

P

T

A

A

A

K

K

R

L

M

V

G

G

A

A

V

I

N

N

T

T

I

I

V

-

V

V

G

N

E

D

N

D

G

G

S

Y

L

L

E

R

G

G

R

Y

N

N

T

T

D

D

G

G

F

T

G

G

F

H

I

I

E

R

N

A

L

I

R

K

S

E

G

S

A

-

P

-

G

G

W

F

K

D

A

M

A

R

D

G

G

K

P

T

A

M

L

V

V

L

I

L

G

G

A
|
A

G
|
G

A
|
A

A

A

R

T

A

A

V

I

V

G

A

A

S

Q

L

A

D

I

E

E

G

G

A

I

P

K

R

E

V

I

W

K

L

L

V

F

N
|
N

R
|
R

T
x
K

R
x
D

-

D

-

F

-

E

-

K

-

A

-

V

-

A

-

F

-

A

A

K

R

R

A

V

D

N

E

E

L

N

A

T

A

D

D

C

I

V

G

V

G

T

A

V

I

T

E

D

T

L

A

A

D

D

W

Q

V

H

S

A

R

F

E

T

T

E

L

A

L

L

E

A

G

S

A

A

A

D

L

I

V

L

V

T

N

N

T

G

T

T

T
x
K

Q

V

G

G

M

M

A

-

G

-

Q

-

P

K

P

P

L

L

E

E

L

N

-

E

-

S

-

L

-

I

-

G

N

D

L

V

R

S

A

L

L

L

P

R

G

P

S

E

A

L

V

L

V

V

T

T

D

E

I
x
C

V
|
V

Y
|
Y

T
x
N

P

P

L

H

M

M

T

T

P

K

L

L

T

Q

A

Q

A

A

Q

Q

A

Q

R

A

G

G

N

C

R

K

V

T

V

I

D

D

G
|
G

V

Y

G

G

M

M

L

L

H

W

Q

Q

A

G

R

A

P

E

G

Q

F

F

A

E

A

L

W

W

F

T

G

G

R

K

AGGA 132:135 (= AGGA 135:138) binding
NRKD 155:158 (≠ NRTR 158:161) binding
K205 (≠ T198) binding
CVYN 232:235 (≠ IVYT 223:226) binding
G255 (= G246) binding

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
40% identity, 92% coverage: 12:267/279 of query aligns to 6:249/263 of 2ev9B

query
sites
2ev9B

V

V

M

L

G

G

W

H

P

P

I

V

G

A

H

H

S
|
S

R

L

S
|
S

P

P

R

A

L

M

H

H

G

A

Y

F

W

A

L

L

E

E

Q

S

Y

L

G

G

I

L

D

E

G

G

A

S

Y

Y

-

E

-

A

-

W

-

D

V

T

P

P

L

L

A

E

V

A

P

L

P

P

D

G

R

R

I

L

E

K

Q

E

A

V

I

R

R

R

A

A

L

-

P

-

A

-

L

-

G

-

F

F

R

R

G

G

C

V

N
|
N

V

L

T
|
T

V

L

P

P

H

L

K
|
K

E

E

A

A

C

L

R

A

T

H

V

L

D

D

R

W

L

V

D

S

A

P

T

E

A

A

K

Q

R

R

M

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

V

Q

G

V

E

E

N

-

G

G

S

R

L

L

E

F

G

G

R

F

N

N

T

T

D
|
D

G

A

F

P

G

G

F

F

I

L

E

E

N

A

L

L

R

K

S

A

G

G

A

G

P

I

G

P

W

L

K

K

A

-

D

-

G

G

P

P

A

A

L

L

V

V

I

L

G

G

A

A

G

G

A

A

A

G

R

R

A

A

V

V

V

A

A

F

S

A

L

L

L

R

D

E

E

A

G

G

A

L

P

-

R

E

V

V

W

W

L

V

V

W

N

N

R

R

T

T

R

P

A

Q

R

R

A

A

D

L

E

A

L

L

A

A

A

E

D

E

I

F

G

G

G

-

A

-

I

-

E

-

T

-

A

-

D

-

W

-

V

-

S

L

R

R

E

A

T

V

L

P

L

L

E

E

G

K

A

A

A

R

-

E

-

A

-

R

L

L

V

L

V

V

N

N

T

A

T

T

T

R

Q

V

G

G

M

L

A

E

G

D

Q

P

P

S

P

A

L

S

E

P

L

L

N

P

L

A

R

E

A

L

L

F

P

P

G

E

S

E

A

G

V

A

T

V

D

D

I

L

V

V

Y

Y

T

R

P

P

L

L

M

W

T

T

P

R

L

F

L

L

T

R

A

E

A

A

Q

K

A

A

R

K

G

G

N

L

R

K

V

V

V

Q

D

T

G

G

V

L

G

P

M

M

L

L

L

A

H

W

Q
|
Q

A

G

R

A

P

L

G

A

F

F

A

R

A

L

W

W

F

T

G

G

R

L

E

L

P

P

E

D

active site: K64 (= K71), D100 (= D108)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S20), S16 (= S22), N58 (= N65), T60 (= T67), K64 (= K71), N85 (= N92), D100 (= D108), Q235 (= Q253)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
40% identity, 92% coverage: 12:267/279 of query aligns to 6:249/263 of Q5SJF8

query
sites
Q5SJF8

V

V

M

L

G

G

W

H

P

P

I

V

G

A

H

H

S
|
S

R
x
L

S
|
S

P

P

R

A

L

M

H

H

G

A

Y

F

W

A

L

L

E

E

Q

S

Y

L

G

G

I

L

D

E

G

G

A

S

Y

Y

-

E

-

A

-

W

-

D

V

T

P

P

L

L

A

E

V

A

P

L

P

P

D

G

R

R

I

L

E

K

Q

E

A

V

I

R

R

R

A

A

L

-

P

-

A

-

L

-

G

-

F

F

R

R

G

G

C

V

N

N

V

L

T
|
T

V

L

P

P

H

L

K
|
K

E

E

A

A

C

L

R

A

T

H

V

L

D

D

R

W

L

V

D

S

A

P

T

E

A

A

K

Q

R

R

M

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

V

Q

G

V

E

E

N

-

G

G

S

R

L

L

E

F

G

G

R

F

N

N

T

T

D
|
D

G

A

F

P

G

G

F

F

I

L

E

E

N

A

L

L

R

K

S

A

G

G

A

G

P

I

G

P

W

L

K

K

A

-

D

-

G

G

P

P

A

A

L

L

V

V

I

L

G
|
G

A
|
A

G
|
G

A
|
A

A

G

R

R

A

A

V

V

V

A

A

F

S

A

L

L

L

R

D

E

E

A

G

G

A

L

P

-

R

E

V

V

W

W

L

V

V

W

N
|
N

R
|
R

T
|
T

R
x
P

A
x
Q

R
|
R

A

A

D

L

E

A

L

L

A

A

A

E

D

E

I

F

G

G

G

-

A

-

I

-

E

-

T

-

A

-

D

-

W

-

V

-

S

L

R

R

E

A

T

V

L

P

L

L

E

E

G

K

A

A

A

R

-

E

-

A

-

R

L

L

V

L

V

V

N

N

T

A

T

T

T

R

Q

V

G

G

M

L

A

E

G

D

Q

P

P

S

P

A

L

S

E

P

L

L

N

P

L

A

R

E

A

L

L

F

P

P

G

E

S

E

A

G

V

A

T

V

D

D

I
x
L

V

V

Y
|
Y

T

R

P

P

L

L

M

W

T

T

P

R

L

F

L

L

T

R

A

E

A

A

Q

K

A

A

R

K

G

G

N

L

R

K

V

V

V

Q

D

T

G
|
G

V

L

G

P

M

M

L

L

L

A

H

W

Q
|
Q

A

G

R

A

P

L

G

A

F

F

A

R

A

L

W

W

F

T

G

G

R

L

E

L

P

P

E

D

SLS 14:16 (≠ SRS 20:22) binding
T60 (= T67) binding
K64 (= K71) active site, Proton acceptor
N85 (= N92) binding
D100 (= D108) binding
GAGGA 123:127 (= GAGGA 134:138) binding
NRTPQR 146:151 (≠ NRTRAR 158:163) binding
L205 (≠ I223) binding
Y207 (= Y225) binding
G228 (= G246) binding
Q235 (= Q253) binding

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
40% identity, 92% coverage: 12:267/279 of query aligns to 6:249/262 of 2cy0A

query
sites
2cy0A

V

V

M

L

G

G

W

H

P

P

I

V

G

A

H

H

S

S

R

L

S

S

P

P

R

A

L

M

H

H

G

A

Y

F

W

A

L

L

E

E

Q

S

Y

L

G

G

I

L

D

E

G

G

A

S

Y

Y

-

E

-

A

-

W

-

D

V

T

P

P

L

L

A

E

V

A

P

L

P

P

D

G

R

R

I

L

E

K

Q

E

A

V

I

R

R

R

A

A

L

-

P

-

A

-

L

-

G

-

F

F

R

R

G

G

C

V

N

N

V

L

T

T

V

L

P

P

H

L

K
|
K

E

E

A

A

C

L

R

A

T

H

V

L

D

D

R

W

L

V

D

S

A

P

T

E

A

A

K

Q

R

R

M

I

G

G

A

A

V

V

N

N

T

T

I

V

V

L

V

Q

G

V

E

E

N

-

G

G

S

R

L

L

E

F

G

G

R

F

N

N

T

T

D
|
D

G

A

F

P

G

G

F

F

I

L

E

E

N

A

L

L

R

K

S

A

G

G

A

G

P

I

G

P

W

L

K

K

A

-

D

-

G

G

P

P

A

A

L

L

V

V

I

L

G
|
G

A

A

G

G

G
|
G

A
|
A

A

G

R

R

A

A

V

V

V

A

A

F

S

A

L

L

L

R

D

E

E

A

G

G

A

L

P

-

R

E

V

V

W

W

L

V

V

W

N
|
N

R
|
R

T
|
T

R

P

A

Q

R
|
R

A

A

D

L

E

A

L

L

A

A

A

E

D

E

I

F

G

G

G

-

A

-

I

-

E

-

T

-

A

-

D

-

W

-

V

-

S

L

R

R

E

A

T

V

L

P

L

L

E

E

G

K

A

A

A

R

-

E

-

A

-

R

L

L

V

L

V

V

N

N

T

A

T
|
T

T
x
R

Q
x
V

G

G

M

L

A

E

G

D

Q

P

P

S

P

A

L

S

E

P

L

L

N

P

L

A

R

E

A

L

L

F

P

P

G

E

S

E

A

G

V

A

T

V

D

D

I
x
L

V

V

Y

Y

T

R

P

P

L

L

M

W

T

T

P

R

L

F

L

L

T

R

A

E

A

A

Q

K

A

A

R

K

G

G

N

L

R

K

V

V

V

Q

D

T

G

G

V

L

G

P

M

M

L
|
L

L

A

H

W

Q

Q

A

G

R

A

P

L

G

A

F

F

A

R

A

L

W

W

F

T

G

G

R

L

E

L

P

P

E

D

active site: K64 (= K71), D100 (= D108)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (= G134), G126 (= G137), A127 (= A138), N146 (= N158), R147 (= R159), T148 (= T160), R151 (= R163), T179 (= T197), R180 (≠ T198), V181 (≠ Q199), L205 (≠ I223), L232 (= L250)

3sefC 2.4 angstrom resolution crystal structure of shikimate 5-dehydrogenase (aroe) from vibrio cholerae o1 biovar eltor str. N16961 in complex with shikimate and NADPH
34% identity, 94% coverage: 12:273/279 of query aligns to 6:237/244 of 3sefC

query
sites
3sefC

V

V

M

F

G

G

W

N

P

P

I

I

G

N

H

H

S
|
S

R

K

S
|
S

P

P

R

F

L

I

H

H

G

T

Y

L

W

F

L

A

E

R

Q

Q

Y

T

G

Q

I

Q

D

S

G

M

A

I

Y

Y

V

T

P

A

L

Q

A

C

V

V

P

P

P

V

D

D

R

G

I

F

E

T

Q

E

A

A

I

A

R

K

A

H

L

F

P

F

A

A

L

Q

G

G

F

G

R

R

G

G

C

C

N

N

V

V

T

T

V

V

P

P

H

F

K
|
K

E

E

A

E

A

A

C

Y

R

R

T

F

V

A

D

D

R

R

L

L

D

T

A

E

T

R

A

A

K

R

R

L

M

A

G

G

A

A

V

V

N

N

T

T

I

L

V

K

V

-

G

K

E

D

N

D

G

G

S

E

L

I

E

L

G

G

R

D

N

N

T

T

D
|
D

G

G

F

E

G

G

F

L

I

V

E

Q

N

D

L

L

R

L

S

A

G

Q

A

Q

P

V

G

L

W

L

K

K

A

G

A

A

D

-

G

-

P

T

A

I

L

L

V

L

I

I

G

G

A

A

G

G

A

A

R

R

A

G

V

V

V

L

A

K

S

P

L

L

D

D

E

Q

G

Q

A

P

P

A

R

S

V

I

W

T

L

V

V

T

N

N

R

R

T

T

R

F

A

A

R

K

A

A

D

E

E

Q

L

L

A

A

A

-

D

E

I

L

G

V

G

A

A

A

I

Y

E

G

T

E

A

V

D

K

W

A

V

Q

S

A

R

F

E

E

T

Q

L

L

L

K

E

Q

G

S

A

Y

A

D

L

V

V

I

N

N

T

S

T

T

T

S

Q

-

G

-

M

-

A

A

G

I

Q

D

P

P

P

V

L

I

E

-

L

-

N

-

L

-

R

-

A

-

L

F

P

S

G

S

S

R

A

S

V

V

V

C

T

Y

D

D

I

M

V

M

Y

Y

T

G

P

-

L

-

M

-

T

-

P

-

L

-

T

-

A

-

Q

-

A

-

R

-

G

-

N

-

R

-

V

-

V

I

D

D

G

G

V

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

R

A

P

E

G

S

F

F

A

M

A

L

W

W

F

R

G

G

R

L

E

R

P

P

E

G

V

T

T

K

E

Q

G

I

L

L

K

R

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S20), S16 (= S22), K65 (= K71), D101 (= D108), Q217 (= Q253)

Query Sequence

>AZOBR_RS01765 FitnessBrowser__azobra:AZOBR_RS01765
MTISGKATLAGVMGWPIGHSRSPRLHGYWLEQYGIDGAYVPLAVPPDRIEQAIRALPALG
FRGCNVTVPHKEAACRTVDRLDATAKRMGAVNTIVVGENGSLEGRNTDGFGFIENLRSGA
PGWKAADGPALVIGAGGAARAVVASLLDEGAPRVWLVNRTRARADELAADIGGAIETADW
VSRETLLEGAALVVNTTTQGMAGQPPLELNLRALPGSAVVTDIVYTPLMTPLLTAAQARG
NRVVDGVGMLLHQARPGFAAWFGREPEVTEGLKAAVLQG

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