SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_245779675.1 NCBI__GCF_900115975.1:WP_245779675.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

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)
43% identity, 93% coverage: 18:297/301 of query aligns to 1:274/282 of Q58484

query
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Q58484

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GAGGA 130:134 (≠ GAGGS 148:152) binding NADP(+)
NRTVEK 152:157 (≠ NRRVER 172:177) binding NADP(+)
T196 (= T219) binding NADP(+)
M200 (= M223) binding NADP(+)
L224 (= L247) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
43% identity, 93% coverage: 18:297/301 of query aligns to 6:279/287 of 1nvtB

query
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1nvtB

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active site: K75 (= K87), D111 (= D123)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ V84), G135 (= G148), G137 (= G150), G138 (= G151), A139 (≠ S152), N157 (= N172), R158 (= R173), T159 (≠ R174), K162 (≠ R177), A200 (≠ C218), T201 (= T219), P202 (= P220), I203 (≠ V221), M205 (= M223), L229 (= L247), Y231 (= Y249), M255 (= M273), L256 (= L274)
binding zinc ion: E22 (≠ R34), H23 (= H35)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
43% identity, 93% coverage: 18:297/301 of query aligns to 6:279/287 of 1nvtA

query
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1nvtA

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active site: K75 (= K87), D111 (= D123)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G148), A139 (≠ S152), N157 (= N172), R158 (= R173), T159 (≠ R174), K162 (≠ R177), A200 (≠ C218), T201 (= T219), P202 (= P220), I203 (≠ V221), M205 (= M223), L229 (= L247), Y231 (= Y249), G252 (= G270), M255 (= M273), L256 (= L274)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
38% identity, 93% coverage: 19:297/301 of query aligns to 3:282/288 of 1npdB

query
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1npdB

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binding nicotinamide-adenine-dinucleotide: A132 (= A149), G133 (= G150), G134 (= G151), A135 (≠ S152), N155 (= N172), R156 (= R173), D158 (≠ V175), F160 (vs. gap), T204 (= T219), K205 (≠ P220), V206 (= V221), M208 (= M223), C232 (≠ L247), M258 (= M273), L259 (= L274)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
38% identity, 93% coverage: 19:297/301 of query aligns to 3:282/288 of P0A6D5

query
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P0A6D5

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P

G

F

V

T

Y
|
Y

V

M

P

A

F

F

E

E

P

V

P

D

P

N

E

D

L

S

L

F

P

P

E

G

A

A

L

I

A

E

G

G

I

L

R

K

A

A

L

L

G

K

I

M

A

R

G

G

L

T

N

G

V

V

T
x
S

V

M

P

P

Y

N

K
|
K

E

Q

A

L

V

A

M

C

P

E

Y

Y

L

V

D

D

E

E

L

L

A

T

G

P

D

A

A

A

V

K

L

L

Y

V

G

G

A

A

V

I

N
|
N

T

T

V

I

V

V

N

N

H

D

R

D

G

G

R

Y

L

L

V

R

G

G

H

Y

N

N

T
|
T

D
|
D

G

G

P

T

G

G

F

H

I

I

R

R

A

A

L

I

R

K

E

E

D

S

H

G

R

-

Y

F

N

D

P

I

A

K

K

G

G

K

S

T

A

M

L

V

V

L

F

L

G

G

A
|
A

G
|
G

S
x
A

A

S

R

T

A

A

V

I

A

G

V

A

A

Q

L

G

A

A

R

I

A

E

G

G

C

L

P

K

E

E

L

I

A

K

L

L

V

F

N
|
N

R
|
R

V
x
D

E

E

-

F

-

D

R

K

A

A

E

L

A

A

L

F

A

A

R

Q

V

R

I

V

F

N

E

E

A

N

T

T

G

D

I

C

K

V

V

V

R

T

V

V

F

-

K

-

W

-

D

-

S

-

A

-

G

-

S

T

D

D

L

L

A

A

D

D

-

Q

-

A

F

F

A

A

R

E

-

A

-

L

-

A

R

S

A

A

A

D

L

I

L

L

V

T

N

N

C

G

T

T

P
x
K

V

V

G

G

M

M

A

K

G

P

K

L

A

E

D

N

A

E

D

S

F

L

P

V

L

N

P

D

E

I

A

S

L

L

P

L

G

H

K

P

G

G

Q

L

L

L

A

V

Y

T

D

E

L
x
C

V
|
V

Y
|
Y

N
|
N

P

P

P

H

L

M

T

T

P

K

F

L

L

L

N

Q

R

Q

A

A

A

Q

R

Q

S

A

G

G

A

C

E

K

I

T

A

I

N

D

G
|
G

I

Y

G

G

M

M

L

L

H

W

Q
|
Q

G

G

A

A

L

E

S

Q

F

F

E

T

I

L

W

W

T

T

G

G

R

K

A

D

A

F

P

P

L

L

E

E

V

Y

M

V

R

K

R

Q

S22 (= S38) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y55) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T83) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K87) 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 (= N108) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T122) 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 (= D123) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (≠ AGGS 149:152) binding NAD(+)
NRRD 155:158 (≠ NRRV 172:175) binding NAD(+)
K205 (≠ P220) binding NAD(+)
CVYN 232:235 (≠ LVYN 247:250) binding NAD(+)
G255 (= G270) binding NAD(+)
Q262 (= Q277) 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)
39% identity, 91% coverage: 25:297/301 of query aligns to 3:276/280 of 1o9bA

query
sites
1o9bA

I

L

Y

I

G

G

I

L

I

M

G

A

H

Y

P

P

V

I

R

R

H

H

S

S

F

L

S

S

P

P

A

E

M

M

H

Q

N

N

A

K

A

A

L

L

R

E

E

K

A

A

G

G

L

L

N

P

G

F

V

T

Y

Y

V

M

P

A

F

F

E

E

P

V

P

D

P

N

E

D

L

S

L

F

P

P

E

G

A

A

L

I

A

E

G

G

I

L

R

K

A

A

L

L

G

K

I

M

A

R

G

G

L

T

N

G

V

V

T

S

V

M

P

P

Y

N

K

K

E

Q

A

L

V

A

M

C

P

E

Y

Y

L

V

D

D

E

E

L

L

A

T

G

P

D

A

A

A

V

K

L

L

Y

V

G

G

A

A

V

I

N

N

T

T

V

I

V

V

N

N

H

D

R

D

G

G

R

Y

L

L

V

R

G

G

H

Y

N

N

T

T

D

D

G

G

P

T

G

G

F

H

I

I

R

R

A

A

L

I

R

K

E

E

D

S

H

G

R

-

Y

F

N

D

P

I

A

K

K

G

G

K

S

T

A

M

L

V

V

L

F

L

G

G

A
|
A

G
|
G

S
x
A

A

S

R

T

A

A

V

I

A

G

V

A

A

Q

L

G

A

A

R

I

A

E

G

G

C

L

P

K

E

E

L

I

A

K

L

L

V

F

N

N

R
|
R

R

R

V

D

E

E

-
x
F

-

F

-

D

R

K

A

A

E

L

A

A

L

F

A

A

R

Q

V

R

I

V

F

N

E

E

A

N

T

T

G

D

I

C

K

V

V

V

R

T

V

V

F

-

K

-

W

-

D

-

S

-

A

-

G

-

S

T

D

D

L

L

A

A

D

D

-

Q

-

A

F

F

A

A

R

E

-

A

-

L

-

A

R

S

A

A

A

D

L

I

L

L

V

T

N

N

C

G

T

T

P
x
K

V
|
V

G

G

M
|
M

A

K

G

P

K

L

A

E

D

N

A

E

D

S

F

L

P

V

L

N

P

D

E

I

A

S

L

L

P

L

G

H

K

P

G

G

Q

L

L

L

A

V

Y

T

D

E

L
x
C

V

V

Y
|
Y

N

N

P

P

P

H

L

M

T

T

P

K

F

L

L

L

N

Q

R

Q

A

A

A

Q

R

Q

S

A

G

G

A

C

E

K

I

T

A

I

N

D

G

G

I

Y

G

G

M
|
M

L
|
L

L

L

H

W

Q

Q

G

G

A

A

L

E

S

Q

F

F

E

T

I

L

W

W

T

T

G

G

R

K

A

D

A

F

P

P

L

L

E

E

V

Y

M

V

R

K

R

Q

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A149), G127 (= G150), G128 (= G151), A129 (≠ S152), R150 (= R173), F154 (vs. gap), K199 (≠ P220), V200 (= V221), M202 (= M223), C226 (≠ L247), Y228 (= Y249), M252 (= M273), L253 (= L274)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
37% identity, 94% coverage: 19:300/301 of query aligns to 6:288/288 of 3tnlA

query
sites
3tnlA

I

I

D

T

G

G

K

H

T

T

V

E

I

L

Y

I

G

G

I

L

I

I

G

A

H

T

P

P

V

I

R

R

H

H

S
|
S

F

L

S
|
S

P

P

A

T

M

M

H

H

N

N

A

E

A

A

L

F

R

A

E

K

A

L

G

G

L

L

N

D

G

Y

V

V

Y

Y

V

L

P

A

F

F

E

E

P

V

P

G

P

D

E

K

L

E

L

L

P

K

E

D

A

V

L

V

A

Q

G

G

I

F

R

R

A

A

L

M

G

N

I

L

A

R

G

G

L

W

N
|
N

V

V

T
x
S

V
x
M

P

P

Y

N

K
|
K

E

T

A

N

V

I

M

H

P

K

Y

Y

L

L

D

D

E

K

L

L

A

S

G

P

D

A

A

A

V

E

L

L

Y

V

G

G

A

A

V

V

N
|
N

T

T

V

V

N

N

H

D

R

D

G

G

R

V

L

L

V

T

G

G

H

H

N

I

T

T

D
|
D

G

G

P

T

G

G

F

Y

I

M

R

R

A

A

L

L

R

K

E

E

D

-

H

A

R

G

Y

H

N

D

P

I

A

I

K

G

G

K

S

K

A

M

L

T

V

I

F

C

G
|
G

A
|
A

G
|
G

S
x
A

A

A

R

T

A

A

V

I

A

C

V

I

A

Q

L

A

A

A

R

L

A

D

G

G

C

V

P

K

E

E

L

I

A

S

L

I

V

F

N
|
N

R
|
R

R

K

V
x
D

E

D

-
x
F

-

Y

-

A

R

N

A

A

E

E

A

K

L

T

A

V

R

E

V

K

I

I

F

N

E

S

A

K

T

T

G

D

I

C

K

K

V

A

R

Q

V

L

F

F

K

D

W

I

D

E

S

D

A

H

G

E

S

Q

D

L

L

R

A

K

D

E

F

I

A

A

R

-

R

E

A

S

A

V

L

I

L

F

V

T

N

N

C

A

T
|
T

P

G

V
|
V

G

G

M
|
M

A

K

G

-

K

P

A
x
F

D

E

A

G

D

E

F

T

P

L

L

L

P

P

E

S

A

A

L

D

P

M

G

L

K

R

G

P

Q

E

L

L

-

I

A

V

Y

S

D

D

L
x
V

V

V

Y
|
Y

N

K

P

P

P

T

L

K

T

T

P

R

F

L

L

L

N

E

R

I

A

A

A

E

R

E

S

Q

G

G

A

C

E

Q

I

T

A

L

N

N

G

G

I

L

G

G

M
|
M

L
x
M

L

L

H

W

Q
|
Q

G

G

A

A

L

K

S

A

F

F

E

E

I

I

W

W

T

T

G

H

R

K

A

E

A

M

P

P

L

V

E

D

V

Y

M

I

R

K

R

E

E

I

L

L

Y

F

binding nicotinamide-adenine-dinucleotide: M71 (≠ V84), G134 (= G148), A135 (= A149), G136 (= G150), G137 (= G151), A138 (≠ S152), N158 (= N172), R159 (= R173), D161 (≠ V175), F163 (vs. gap), T207 (= T219), V209 (= V221), M211 (= M223), F214 (≠ A227), V235 (≠ L247), Y237 (= Y249), M261 (= M273), M262 (≠ L274)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S36), S25 (= S38), N68 (= N81), S70 (≠ T83), K74 (= K87), N95 (= N108), D110 (= D123), Q265 (= Q277)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
37% identity, 94% coverage: 19:300/301 of query aligns to 9:291/291 of 3tozA

query
sites
3tozA

I

I

D

T

G

G

K

H

T

T

V

E

I

L

Y

I

G

G

I

L

I

I

G

A

H

T

P

P

V

I

R

R

H

H

S

S

F

L

S

S

P

P

A

T

M

M

H

H

N

N

A

E

A

A

L

F

R

A

E

K

A

L

G

G

L

L

N

D

G

Y

V

V

Y

Y

V

L

P

A

F

F

E

E

P

V

P

G

P

D

E

K

L

E

L

L

P

K

E

D

A

V

L

V

A

Q

G

G

I

F

R

R

A

A

L

M

G

N

I

L

A

R

G

G

L

W

N

N

V

V

T

S

V

M

P

P

Y

N

K

K

E

T

A

N

V

I

M

H

P

K

Y

Y

L

L

D

D

E

K

L

L

A

S

G

P

D

A

A

A

V

E

L

L

Y

V

G

G

A

A

V

V

N

N

T

T

V

V

N

N

H

D

R

D

G

G

R

V

L

L

V

T

G

G

H

H

N

I

T

T

D

D

G

G

P

T

G

G

F

Y

I

M

R

R

A

A

L

L

R

K

E

E

D

-

H

A

R

G

Y

H

N

D

P

I

A

I

K

G

G

K

S

K

A

M

L

T

V

I

F

C

G
|
G

A
|
A

G
|
G

S
x
A

A

A

R

T

A

A

V

I

A

C

V

I

A

Q

L

A

A

A

R

L

A

D

G

G

C

V

P

K

E

E

L

I

A

S

L

I

V

F

N
|
N

R
|
R

R

K

V
x
D

E

D

-
x
F

-

Y

-

A

R

N

A

A

E

E

A

K

L

T

A

V

R

E

V

K

I

I

F

N

E

S

A

K

T

T

G

D

I

C

K

K

V

A

R

Q

V

L

F

F

K

D

W

I

D

E

S

D

A

H

G

E

S

Q

D

L

L

R

A

K

D

E

F

I

A

A

R

-

R

E

A

S

A

V

L

I

L

F

V

T

N

N

C

A

T
|
T

P
x
G

V
|
V

G

G

M
|
M

A

K

G

-

K

P

A
x
F

D

E

A

G

D

E

F

T

P

L

L

L

P

P

E

S

A

A

L

D

P

M

G

L

K

R

G

P

Q

E

L

L

-

I

A

V

Y

S

D

D

L
x
V

V

V

Y
|
Y

N

K

P

P

P

T

L

K

T

T

P

R

F

L

L

L

N

E

R

I

A

A

A

E

R

E

S

Q

G

G

A

C

E

Q

I

T

A

L

N

N

G
|
G

I

L

G

G

M
|
M

L
x
M

L

L

H

W

Q

Q

G

G

A

A

L

K

S

A

F

F

E

E

I

I

W

W

T

T

G

H

R

K

A

E

A

M

P

P

L

V

E

D

V

Y

M

I

R

K

R

E

E

I

L

L

Y

F

binding nicotinamide-adenine-dinucleotide: G137 (= G148), A138 (= A149), G139 (= G150), G140 (= G151), A141 (≠ S152), N161 (= N172), R162 (= R173), D164 (≠ V175), F166 (vs. gap), T210 (= T219), G211 (≠ P220), V212 (= V221), M214 (= M223), F217 (≠ A227), V238 (≠ L247), Y240 (= Y249), G261 (= G270), M264 (= M273), M265 (≠ L274)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
37% identity, 94% coverage: 19:300/301 of query aligns to 9:291/291 of Q8Y9N5

query
sites
Q8Y9N5

I

I

D

T

G

G

K

H

T

T

V

E

I

L

Y

I

G

G

I

L

I

I

G

A

H

T

P

P

V

I

R

R

H

H

S
|
S

F
x
L

S
|
S

P

P

A

T

M

M

H

H

N

N

A

E

A

A

L

F

R

A

E

K

A

L

G

G

L

L

N

D

G

Y

V

V

Y

Y

V

L

P

A

F

F

E

E

P

V

P

G

P

D

E

K

L

E

L

L

P

K

E

D

A

V

L

V

A

Q

G

G

I

F

R

R

A

A

L

M

G

N

I

L

A

R

G

G

L

W

N

N

V

V

T

S

V

M

P

P

Y

N

K

K

E

T

A

N

V

I

M

H

P

K

Y

Y

L

L

D

D

E

K

L

L

A

S

G

P

D

A

A

A

V

E

L

L

Y

V

G

G

A

A

V

V

N

N

T

T

V

V

N

N

H

D

R

D

G

G

R

V

L

L

V

T

G

G

H

H

N

I

T

T

D

D

G

G

P

T

G

G

F

Y

I

M

R

R

A

A

L

L

R

K

E

E

D

-

H

A

R

G

Y

H

N

D

P

I

A

I

K

G

G

K

S

K

A

M

L

T

V

I

F

C

G

G

A

A

G

G

S

A

A

A

R

T

A

A

V

I

A

C

V

I

A

Q

L

A

A

A

R

L

A

D

G

G

C

V

P

K

E

E

L

I

A

S

L

I

V

F

N
|
N

R
|
R

R
x
K

V
x
D

E

D

-

F

-

Y

-

A

R

N

A

A

E

E

A

K

L

T

A

V

R

E

V

K

I

I

F

N

E

S

A

K

T

T

G

D

I

C

K

K

V

A

R

Q

V

L

F

F

K

D

W

I

D

E

S

D

A

H

G

E

S

Q

D

L

L

R

A

K

D

E

F

I

A

A

R

-

R

E

A

S

A

V

L

I

L

F

V

T

N

N

C

A

T

T

P

G

V

V

G

G

M
|
M

A

K

G

-

K

P

A

F

D

E

A

G

D

E

F

T

P

L

L

L

P

P

E

S

A

A

L

D

P

M

G

L

K

R

G

P

Q

E

L

L

-

I

A

V

Y

S

D

D

L

V

V

V

Y

Y

N

K

P

P

P

T

L

K

T

T

P

R

F

L

L

L

N

E

R

I

A

A

A

E

R

E

S

Q

G

G

A

C

E

Q

I

T

A

L

N

N

G

G

I

L

G

G

M

M

L

M

L

L

H

W

Q

Q

G

G

A

A

L

K

S

A

F

F

E

E

I

I

W

W

T

T

G

H

R

K

A

E

A

M

P

P

L

V

E

D

V

Y

M

I

R

K

R

E

E

I

L

L

Y

F

SLS 26:28 (≠ SFS 36:38) binding shikimate
NRKD 161:164 (≠ NRRV 172:175) binding NAD(+)
M214 (= M223) binding NADP(+)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
38% identity, 94% coverage: 18:299/301 of query aligns to 1:264/269 of O67049

query
sites
O67049

I

M

I

I

D

N

G

A

K

Q

T

T

V

Q

I

L

Y

Y

G

G

I

V

I

I

G

G

H

F

P

P

V

V

R

K

H

H

S
|
S

F
x
L

S
|
S

P

P

A

V

M

F

H

Q

N

N

A

A

A

L

L

I

R

R

E

Y

A

A

G

G

L

L

N

N

G

A

V

V

Y

Y

V

L

P

A

F

F

E

E

P

I

P

N

P

P

E

E

L

E

L

L

P

K

E

K

A

A

L

F

A

E

G

G

I

F

R

K

A

A

L

L

G

K

I

V

A

K

G

G

L

I

N

N

V

V

T

T

V

V

P

P

Y

F

K

K

E

E

A

E

V

I

M

I

P

P

Y

L

L

L

D

D

E

Y

L

V

A

E

G
x
D

D

T

A

A

V

K

L

E

Y

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

K

N

F

H

E

R

N

G

G

R

K

L

A

V

Y

G

G

H

Y

N

N

T

T

D
|
D

G

W

P

I

G

G

F

F

I

L

R

K

A

S

L

L

R

K

E

S

D

L

H

I

R

P

Y

E

N

V

P

K

A

E

K

K

G

-

S

S

A

I

L

L

V

V

F

L

G
|
G

A
|
A

G
|
G

S
x
A

A

S

R

R

A

A

V

V

A

I

V

Y

A

A

L

L

A

V

R

K

A

E

G

G

C

A

P

-

E

K

L

V

A

F

L

L

V

W

N

N

R

R

R

T

V

K

E

E

R

K

A

A

E

I

A

K

L

L

A

A

R

-

V

-

I

-

F

-

E

-

A

-

T

-

G

-

I

-

K

-

V

-

R

Q

V

K

F

F

K

P

W

L

D

E

S

V

A

V

G

N

S

S

D

P

L

-

A

E

D

E

F

V

A

I

R

D

R

K

A

V

A

Q

L

V

L

I

V

V

N

N

C

T

T

T

P

S

V

V

G

G

M

L

A

K

G

D

K

K

A

D

D

P

A

E

D

I

F

F

P

N

L

Y

P

D

E

-

A

-

L

L

P

I

G

K

K

K

G

D

Q

H

L

V

A

V

Y

V

D

D

L
x
I

V

I

Y
|
Y

N

K

P

E

P

-

L

-

T

T

P

K

F

L

L

L

N

K

R

K

A

A

A

K

R

E

S

K

G

G

A

A

E

K

I

L

A

F

N

D

G
|
G

I

L

G

P

M

M

L

L

H

W

Q
|
Q

G

G

A

I

L

E

S

A

F

F

E

K

I

I

W

W

T

N

G

G

R

C

A

E

A

V

P

P

L

Y

E

S

V

V

M

A

R

E

R

R

E

S

L

V

SLS 19:21 (≠ SFS 36:38) binding shikimate
D82 (≠ G99) binding NADP(+)
N91 (= N108) binding shikimate
D106 (= D123) binding shikimate
GAGGA 130:134 (≠ GAGGS 148:152) binding NADP(+)
I214 (≠ L247) binding NADP(+)
Y216 (= Y249) binding shikimate
G235 (= G270) binding NADP(+)
Q242 (= Q277) binding shikimate

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
38% identity, 94% coverage: 18:299/301 of query aligns to 1:264/267 of 2hk9B

query
sites
2hk9B

I

M

I

I

D

N

G

A

K

Q

T

T

V

Q

I

L

Y

Y

G

G

I

V

I

I

G

G

H

F

P

P

V

V

R

K

H

H

S
|
S

F

L

S
|
S

P

P

A

V

M

F

H

Q

N

N

A

A

A

L

L

I

R

R

E

Y

A

A

G

G

L

L

N

N

G

A

V

V

Y

Y

V

L

P

A

F

F

E

E

P

I

P

N

P

P

E

E

L

E

L

L

P

K

E

K

A

A

L

F

A

E

G

G

I

F

R

K

A

A

L

L

G

K

I

V

A

K

G

G

L

I

N
|
N

V

V

T
|
T

V
|
V

P

P

Y

F

K
|
K

E

E

A

E

V

I

M

I

P

P

Y

L

L

L

D

D

E

Y

L

V

A

E

G

D

D

T

A

A

V

K

L

E

Y

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

K

N

F

H

E

R

N

G

G

R

K

L

A

V

Y

G

G

H

Y

N

N

T

T

D
|
D

G

W

P

I

G

G

F

F

I

L

R

K

A

S

L

L

R

K

E

S

D

L

H

I

R

P

Y

E

N

V

P

K

A

E

K

K

G

-

S

S

A

I

L

L

V

V

F

L

G
|
G

A

A

G

G

G
|
G

S
x
A

A

S

R

R

A

A

V

V

A

I

V

Y

A

A

L

L

A

V

R

K

A

E

G

G

C

A

P

-

E

K

L

V

A

F

L

L

V

W

N
|
N

R
|
R

R
x
T

V

K

E

E

R
x
K

A

A

E

I

A

K

L

L

A

A

R

-

V

-

I

-

F

-

E

-

A

-

T

-

G

-

I

-

K

-

V

-

R

Q

V

K

F

F

K

P

W

L

D

E

S

V

A

V

G

N

S

S

D

P

L

-

A

E

D

E

F

V

A

I

R

D

R

K

A

V

A

Q

L

V

L

I

V

V

N

N

C

T

T
|
T

P
x
S

V
|
V

G

G

M

L

A

K

G

D

K

E

A

D

D

P

A

E

D

I

F

F

P

N

L

Y

P

D

E

-

A

-

L

L

P

I

G

K

K

K

G

D

Q

H

L

V

A

V

Y

V

D

D

L
x
I

V

I

Y
|
Y

N

K

P

E

P

-

L

-

T

T

P

K

F

L

L

L

N

K

R

K

A

A

A

K

R

E

S

K

G

G

A

A

E

K

I

L

A

L

N

D

G

G

I

L

G

P

M
|
M

L
|
L

L

L

H

W

Q
|
Q

G

G

A

I

L

E

S

A

F

F

E

K

I

I

W

W

T

N

G

G

R

C

A

E

A

V

P

P

L

Y

E

S

V

V

M

A

R

E

R

R

E

S

L

V

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (= V84), G130 (= G148), G133 (= G151), A134 (≠ S152), N153 (= N172), R154 (= R173), T155 (≠ R174), K158 (≠ R177), T188 (= T219), S189 (≠ P220), V190 (= V221), I214 (≠ L247), M238 (= M273), L239 (= L274)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S36), S21 (= S38), N64 (= N81), T66 (= T83), K70 (= K87), N91 (= N108), D106 (= D123), Y216 (= Y249), L239 (= L274), Q242 (= Q277)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
38% identity, 94% coverage: 18:299/301 of query aligns to 1:264/269 of 2hk9A

query
sites
2hk9A

I

M

I

I

D

N

G

A

K

Q

T

T

V

Q

I

L

Y

Y

G

G

I

V

I

I

G

G

H

F

P

P

V

V

R

K

H

H

S
|
S

F

L

S
|
S

P

P

A

V

M

F

H

Q

N

N

A

A

A

L

L

I

R

R

E

Y

A

A

G

G

L

L

N

N

G

A

V

V

Y

Y

V

L

P

A

F

F

E

E

P

I

P

N

P

P

E

E

L

E

L

L

P

K

E

K

A

A

L

F

A

E

G

G

I

F

R

K

A

A

L

L

G

K

I

V

A

K

G

G

L

I

N
|
N

V

V

T

T

V
|
V

P

P

Y

F

K
|
K

E

E

A

E

V

I

M

I

P

P

Y

L

L

L

D

D

E

Y

L

V

A

E

G

D

D

T

A

A

V

K

L

E

Y

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

K

N

F

H

E

R

N

G

G

R

K

L

A

V

Y

G

G

H

Y

N

N

T

T

D
|
D

G

W

P

I

G

G

F

F

I

L

R

K

A

S

L

L

R

K

E

S

D

L

H

I

R

P

Y

E

N

V

P

K

A

E

K

K

G

-

S

S

A

I

L

L

V

V

F

L

G

G

A

A

G
|
G

S
x
A

A

S

R

R

A

A

V

V

A

I

V

Y

A

A

L

L

A

V

R

K

A

E

G

G

C

A

P

-

E

K

L

V

A

F

L

L

V

W

N
|
N

R
|
R

R
x
T

V

K

E

E

R

K

A

A

E

I

A

K

L

L

A

A

R

-

V

-

I

-

F

-

E

-

A

-

T

-

G

-

I

-

K

-

V

-

R

Q

V

K

F

F

K

P

W

L

D

E

S

V

A

V

G

N

S

S

D

P

L

-

A

E

D

E

F

V

A

I

R

D

R

K

A

V

A

Q

L

V

L

I

V

V

N

N

C

T

T
|
T

P
x
S

V
|
V

G

G

M

L

A

K

G

D

K

E

A

D

D

P

A

E

D

I

F

F

P

N

L

Y

P

D

E

-

A

-

L

L

P

I

G

K

K

K

G

D

Q

H

L

V

A

V

Y

V

D

D

L

I

V

I

Y
|
Y

N

K

P

E

P

-

L

-

T

T

P

K

F

L

L

L

N

K

R

K

A

A

A

K

R

E

S

K

G

G

A

A

E

K

I

L

A

L

N

D

G

G

I

L

G

P

M

M

L
|
L

L

L

H

W

Q
|
Q

G

G

A

I

L

E

S

A

F

F

E

K

I

I

W

W

T

N

G

G

R

C

A

E

A

V

P

P

L

Y

E

S

V

V

M

A

R

E

R

R

E

S

L

V

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (= V84), G132 (= G150), G133 (= G151), A134 (≠ S152), N153 (= N172), R154 (= R173), T155 (≠ R174), T188 (= T219), S189 (≠ P220), V190 (= V221)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S36), S21 (= S38), N64 (= N81), K70 (= K87), N91 (= N108), D106 (= D123), Y216 (= Y249), L239 (= L274), Q242 (= Q277)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
33% identity, 90% coverage: 26:297/301 of query aligns to 3:259/269 of Q5HNV1

query
sites
Q5HNV1

Y

F

G

A

I

V

I

I

G

G

H

N

P

P

V

I

R

S

H

H

S
|
S

F
x
L

S
|
S

P

P

A

L

M

M

H

H

N

H

A

A

A

N

L

F

R

Q

E

S

A

L

G

N

L

L

N

E

G

N

V

T

Y

Y

V

E

P

A

F

I

E

N

P

V

P

P

P

V

E

N

L

Q

L

F

P

Q

E

D

A

I

L

K

A

K

G

I

I

I

R

S

A

E

L

K

G

S

I

I

A

D

G

G

L

F

N

N

V

V

T
|
T

V

I

P

P

Y

H

K

K

E

E

A

R

V

I

M

I

P

P

Y

Y

L

L

D

D

E

D

L

I

A

N

G

E

D

Q

A

A

V

K

L

S

Y

V

G

G

A

A

V

V

N
|
N

T

T

V

V

V

L

N

V

H

K

R

D

G

G

R

K

L

W

V

I

G

G

H

Y

N

N

T

T

D
|
D

G

G

P

I

G

G

F

Y

I

V

R

N

A

G

L

L

R

K

E

Q

D

I

H

Y

R

E

Y

-

N

G

P

I

A

E

K

D

G

A

S

Y

A

I

L

L

V

I

F

L

G

G

A

A

G

G

S

A

A

S

R

K

A

G

V

I

A

A

V

N

A

E

L

L

A

Y

R

K

A

I

G

V

C

R

P

P

E

T

L

L

A

T

L

V

V

A

N

N

R

R

R

T

V

M

E

S

R

R

A

-

E

-

A

-

L

-

A

-

R

-

V

-

I

-

F

F

E

N

A

N

T

W

G

S

I

L

K

N

V

I

R

N

V

K

F

I

K

N

W

L

D

S

S

H

A

A

G

E

S

S

D

H

L

L

A

D

D

E

F

F

A

-

R

-

A

-

A

D

L

I

V

I

N

N

C

T

T

T

P

P

V

A

G

G

M

M

A

N

G

G

K

N

A

T

D

D

A

S

D

V

F

I

P

S

L

L

P

N

E

R

A

L

L

-

P

-

G

A

K

S

G

H

Q

T

L

L

A

V

Y

S

D

D

L

I

V

V

Y
|
Y

N

N

P

P

P

Y

L

K

T

T

P

P

F

I

L

L

N

I

R

E

A

A

A

E

R

Q

S

R

G

G

A

N

E

P

I

I

A

Y

N

N

G

G

I

L

G

D

M

M

L

F

L

V

H

H

Q
|
Q

G

G

A

A

L

E

S

S

F

F

E

K

I

I

W

W

T

T

G

N

R

L

A

E

A

P

P

D

L

I

E

K

V

A

M

M

R

K

R

N

SLS 13:15 (≠ SFS 36:38) binding shikimate
T60 (= T83) binding shikimate
N85 (= N108) binding shikimate
D100 (= D123) binding shikimate
Y211 (= Y249) 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 (= Q277) binding shikimate

Q8ZPR4 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
38% identity, 93% coverage: 19:297/301 of query aligns to 3:282/288 of Q8ZPR4

query
sites
Q8ZPR4

I

V

D

T

G

A

K

K

T

Y

V

E

I

L

Y

I

G

G

I

L

I

M

G

A

H

Y

P

P

V

I

R

R

H

H

S

S

F

L

S

S

P

P

A

E

M

M

H

Q

N

N

A

K

A

A

L

L

R

E

E

K

A

A

G

G

L

L

N

P

G

Y

V

T

Y

Y

V

M

P

A

F

F

E

E

P

V

P

D

P

N

E

T

L

T

L

F

P

A

E

S

A

A

L

I

A

E

G

G

I

L

R

K

A

A

L

L

G

K

I

M

A

R

G

G

L

T

N

G

V

V

T

S

V

M

P

P

Y

N

K

K

E

Q

A

L

V

A

M

C

P

E

Y

Y

L

V

D

D

E

E

L

L

A

T

G

P

D

A

A

A

V

K

L

L

Y

V

G

G

A

A

V

I

N

N

T

T

V

I

V

V

N

N

H

D

R

D

G

G

R

Y

L

L

V

R

G

G

H

Y

N

N

T

T

D

D

G

G

P

T

G

G

F

H

I

I

R

R

A

A

L

I

R

K

E

E

D

S

H

G

R

-

Y

F

N

D

P

M

A

R

K

G

G

K

S

T

A

M

L

V

V

L

F

L

G

G

A
|
A

G
|
G

S
x
A

A

A

R

T

A

A

V

I

A

G

V

A

A

Q

L

A

A

A

R

I

A

E

G

G

C

I

P

K

E

E

L

I

A

K

L

L

V

F

N
|
N

R
|
R

R
x
K

-
x
D

-

D

-

F

V

F

E

E

R

K

A

A

E

V

A

A

L

F

A

A

R

K

V

R

I

V

F

N

E

E

A

N

T

T

G

D

I

C

K

V

V

V

R

T

V

V

F

-

K

-

W

-

D

-

S

-

A

-

G

-

S

T

D

D

L

L

A

A

D

D

-

Q

-

H

-

A

F

F

A

T

R

E

-

A

-

L

-

A

R

S

A

A

A

D

L

I

L

L

V

T

N

N

C

G

T

T

P
x
K

V

V

G

G

M

M

A

K

G

P

K

L

A

E

D

N

A

E

D

S

F

L

P

I

L

G

P

D

E

V

A

S

L

L

P

L

G

R

K

P

G

E

Q

L

L

L

A

V

Y

T

D

E

L
x
C

V
|
V

Y
|
Y

N
|
N

P

P

P

H

L

M

T

T

P

K

F

L

L

L

N

Q

R

Q

A

A

A

Q

R

Q

S

A

G

G

A

C

E

K

I

T

A

I

N

D

G
|
G

I

Y

G

G

M

M

L

L

H

W

Q

Q

G

G

A

A

L

E

S

Q

F

F

E

E

I

L

W

W

T

T

G

G

R

K

A

A

A

F

P

P

L

L

E

D

V

Y

M

V

R

K

R

Q

AGGA 132:135 (≠ AGGS 149:152) binding NAD(+)
NRKD 155:158 (≠ NRR- 172:174) binding NAD(+)
K205 (≠ P220) binding NAD(+)
CVYN 232:235 (≠ LVYN 247:250) binding NAD(+)
G255 (= G270) binding NAD(+)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
44% identity, 87% coverage: 26:287/301 of query aligns to 4:245/263 of 2ev9B

query
sites
2ev9B

Y

F

G

A

I

V

I

L

G

G

H

H

P

P

V

V

R

A

H

H

S
|
S

F

L

S
|
S

P

P

A

A

M

M

H

H

N

A

A

F

A

A

L

L

R

E

E

S

A

L

G

G

L

L

N

E

G

G

V

S

Y

Y

V

E

P

A

F

W

E

D

P

T

P

P

P

L

E

E

L

A

L

L

P

P

E

G

A

R

L

L

A

K

G

E

I

V

R

R

A

R

L

-

G

A

I

F

A

R

G

G

L

V

N
|
N

V

L

T
|
T

V

L

P

P

Y

L

K
|
K

E

E

A

A

V

A

M

L

P

A

Y

H

L

L

D

D

E

W

L

V

A

S

G

P

D

E

A

A

V

Q

L

R

Y

I

G

G

A

A

V

V

N
|
N

T

T

V

V

V

L

N

Q

H

V

R

E

G

G

R

R

L

L

V

F

G

G

H

F

N

N

T

T

D
|
D

G

A

P

P

G

G

F

F

I

L

R

E

A

A

L

L

R

K

E

A

D

G

H

G

R

-

Y

-

N

I

P

P

A

L

K

K

G

G

S

P

A

A

L

L

V

V

F

L

G

G

A

A

G

G

S

A

A

G

R

R

A

A

V

V

A

A

V

F

A

A

L

L

A

R

R

E

A

A

G

G

C

L

P

-

E

E

L

V

A

W

L

V

V

W

N

N

R

R

R

T

V

P

E

Q

R

R

A

A

E

L

A

A

L

L

A

A

R

-

V

-

I

-

F

-

E

E

A

E

T

F

G

G

I

L

K

R

V

A

R

V

V

P

F

L

K

-

W

-

D

-

S

-

A

-

G

-

S

-

D

-

L

-

A

-

D

E

F

K

A

A

R

R

R

E

A

A

A

R

L

L

V

V

N

N

C

A

T

T

P

R

V

V

G

G

M

L

A

E

G

D

K

P

A

S

D

A

A

S

D

-

F

-

P

P

L

L

P

P

-

A

E

E

A

L

L

F

P

P

G

E

K

E

G

G

Q

A

L

-

A

A

Y

V

D

D

L

L

V

V

Y

Y

N

R

P

P

P

L

L

W

T

T

P

R

F

F

L

L

N

R

R

E

A

A

A

K

R

A

S

K

G

G

A

L

E

K

I

V

A

Q

N

T

G

G

I

L

G

P

M

M

L

L

L

A

H

W

Q
|
Q

G

G

A

A

L

L

S

A

F

F

E

R

I

L

W

W

T

T

G

G

active site: K64 (= K87), D100 (= D123)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S36), S16 (= S38), N58 (= N81), T60 (= T83), K64 (= K87), N85 (= N108), D100 (= D123), Q235 (= Q277)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
44% identity, 87% coverage: 26:287/301 of query aligns to 4:245/263 of Q5SJF8

query
sites
Q5SJF8

Y

F

G

A

I

V

I

L

G

G

H

H

P

P

V

V

R

A

H

H

S
|
S

F
x
L

S
|
S

P

P

A

A

M

M

H

H

N

A

A

F

A

A

L

L

R

E

E

S

A

L

G

G

L

L

N

E

G

G

V

S

Y

Y

V

E

P

A

F

W

E

D

P

T

P

P

P

L

E

E

L

A

L

L

P

P

E

G

A

R

L

L

A

K

G

E

I

V

R

R

A

R

L

-

G

A

I

F

A

R

G

G

L

V

N

N

V

L

T
|
T

V

L

P

P

Y

L

K
|
K

E

E

A

A

V

A

M

L

P

A