SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012506205.1 NCBI__GCF_000020625.1:WP_012506205.1 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)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
34% identity, 95% coverage: 6:280/290 of query aligns to 8:282/288 of 1npdB

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1npdB

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binding nicotinamide-adenine-dinucleotide: A132 (≠ N131), G133 (= G132), G134 (= G133), A135 (= A134), N155 (≠ V155), R156 (= R156), D158 (≠ P158), F160 (vs. gap), T204 (= T198), K205 (≠ P199), V206 (≠ I200), M208 (≠ T202), C232 (≠ M230), M258 (= M256), L259 (= L257)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
34% identity, 95% coverage: 6:280/290 of query aligns to 8:282/288 of P0A6D5

query
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P0A6D5

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S22 (= S20) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (= Y37) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T66) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K70) 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 (= N91) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T105) 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 (= D106) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (≠ NGGA 131:134) binding NAD(+)
NRRD 155:158 (≠ VRDP 155:158) binding NAD(+)
K205 (≠ P199) binding NAD(+)
CVYN 232:235 (≠ MVYN 230:233) binding NAD(+)
G255 (= G253) binding NAD(+)
Q262 (= Q260) 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)
34% identity, 95% coverage: 6:280/290 of query aligns to 2:276/280 of 1o9bA

query
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1o9bA

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binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (≠ N131), G127 (= G132), G128 (= G133), A129 (= A134), R150 (= R156), F154 (vs. gap), K199 (≠ P199), V200 (≠ I200), M202 (≠ T202), C226 (≠ M230), Y228 (= Y232), M252 (= M256), L253 (= L257)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
32% identity, 95% coverage: 5:280/290 of query aligns to 10:285/288 of 3tnlA

query
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3tnlA

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E

E

binding nicotinamide-adenine-dinucleotide: M71 (≠ I67), G134 (= G130), A135 (≠ N131), G136 (= G132), G137 (= G133), A138 (= A134), N158 (≠ V155), R159 (= R156), D161 (≠ P158), F163 (vs. gap), T207 (= T198), V209 (≠ I200), M211 (≠ T202), F214 (≠ V205), V235 (≠ M230), Y237 (= Y232), M261 (= M256), M262 (≠ L257)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S18), S25 (= S20), N68 (= N64), S70 (≠ T66), K74 (= K70), N95 (= N91), D110 (= D106), Q265 (= Q260)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
32% identity, 95% coverage: 5:280/290 of query aligns to 13:288/291 of 3tozA

query
sites
3tozA

T

T

S

E

I

L

L

I

G

G

L

L

I

I

G

A

R

T

N

P

V

I

N

R

Y

H

S

S

Y

L

S

S

P

P

F

T

I

M

H

H

N

N

T

E

A

A

A

F

E

A

M

K

L

L

R

G

L

L

P

D

F

Y

Y

V

Y

Y

T

L

I

A

F

F

N

E

I

V

A

G

D

D

A

-

R

K

Q

E

I

L

P

K

D

D

A

V

L

V

N

Q

G

G

M

F

R

R

A

A

L

M

G

N

I

L

A

R

G

G

L

W

N

N

V

V

T

S

I

M

P

P

Y

N

K

K

Q

T

V

N

V

I

T

H

E

K

Y

Y

V

L

D

D

T

K

L

L

S

S

A

P

E

A

A

A

Q

E

A

L

V

V

G

G

A

A

V

V

N

N

T

T

I

V

V

V

N

N

N

D

G

G

R

V

L

L

S

T

G

G

C

H

N

I

T

T

D

D

I

G

A

T

G

G

V

Y

S

M

H

R

P

A

L

L

K

K

P

E

Y

A

K

G

E

H

R

D

L

I

H

I

Q

G

S

K

P

K

A

M

G

T

I

I

F

C

G
|
G

N
x
A

G
|
G

A
|
A

A

A

L

T

-

A

-

I

-

C

-

I

-

Q

A

A

V

L

E

D

A

G

L

V

R

K

R

E

D

-

Y

-

H

-

P

-

S

-

A

-

I

I

R

S

L

I

F

F

V
x
N

R
|
R

D

K

P
x
D

D

D

-
x
F

-

Y

-

A

K

N

G

A

L

E

A

K

L

T

A

V

E

E

Q

K

V

I

H

N

A

S

K

K

H

-

P

T

E

D

A

C

P

K

I

A

E

Q

I

L

F

F

K

D

I

I

D

E

A

D

Y

H

D

E

A

Q

I

L

R

R

-

K

-

E

-

I

-

A

D

E

C

S

H

V

L

I

L

F

I

T

N

N

A

A

T
|
T

P
x
G

I
x
V

G

G

T
x
M

K

K

G

P

V
x
F

Q

E

T

-

A

-

G

-

N

G

S

E

A

T

L

L

P

P

Q

S

E

A

Q

D

K

-

L

M

L

L

H

R

D

P

G

E

Q

L

I

I

I

V

F

S

D

D

M
x
V

V

V

Y
|
Y

N

K

P

P

L

T

R

K

T

T

P

R

F

L

V

L

N

E

M

I

A

A

A

E

E

E

A

Q

G

G

A

C

V

Q

V

T

I

L

P

N

G
|
G

V

L

E

G

M
|
M

L
x
M

I

L

A

W

Q

Q

A

G

A

A

E

K

S

A

F

F

C

E

L

I

W

W

T

T

G

H

E

K

T

E

M

M

P

P

V

V

D

D

S

Y

I

I

R

K

E

E

binding nicotinamide-adenine-dinucleotide: G137 (= G130), A138 (≠ N131), G139 (= G132), G140 (= G133), A141 (= A134), N161 (≠ V155), R162 (= R156), D164 (≠ P158), F166 (vs. gap), T210 (= T198), G211 (≠ P199), V212 (≠ I200), M214 (≠ T202), F217 (≠ V205), V238 (≠ M230), Y240 (= Y232), G261 (= G253), M264 (= M256), M265 (≠ L257)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
32% identity, 95% coverage: 5:280/290 of query aligns to 13:288/291 of Q8Y9N5

query
sites
Q8Y9N5

T

T

S

E

I

L

L

I

G

G

L

L

I

I

G

A

R

T

N

P

V

I

N

R

Y

H

S
|
S

Y
x
L

S
|
S

P

P

F

T

I

M

H

H

N

N

T

E

A

A

A

F

E

A

M

K

L

L

R

G

L

L

P

D

F

Y

Y

V

Y

Y

T

L

I

A

F

F

N

E

I

V

A

G

D

D

A

-

R

K

Q

E

I

L

P

K

D

D

A

V

L

V

N

Q

G

G

M

F

R

R

A

A

L

M

G

N

I

L

A

R

G

G

L

W

N

N

V

V

T

S

I

M

P

P

Y

N

K

K

Q

T

V

N

V

I

T

H

E

K

Y

Y

V

L

D

D

T

K

L

L

S

S

A

P

E

A

A

A

Q

E

A

L

V

V

G

G

A

A

V

V

N

N

T

T

I

V

V

V

N

N

N

D

G

G

R

V

L

L

S

T

G

G

C

H

N

I

T

T

D

D

I

G

A

T

G

G

V

Y

S

M

H

R

P

A

L

L

K

K

P

E

Y

A

K

G

E

H

R

D

L

I

H

I

Q

G

S

K

P

K

A

M

G

T

I

I

F

C

G

G

N

A

G

G

A

A

L

T

-

A

-

I

-

C

-

I

-

Q

A

A

V

L

E

D

A

G

L

V

R

K

R

E

D

-

Y

-

H

-

P

-

S

-

A

-

I

I

R

S

L

I

F

F

V
x
N

R
|
R

D
x
K

P
x
D

D

D

-

F

-

Y

-

A

K

N

G

A

L

E

A

K

L

T

A

V

E

E

Q

K

V

I

H

N

A

S

K

K

H

-

P

T

E

D

A

C

P

K

I

A

E

Q

I

L

F

F

K

D

I

I

D

E

A

D

Y

H

D

E

A

Q

I

L

R

R

-

K

-

E

-

I

-

A

D

E

C

S

H

V

L

I

L

F

I

T

N

N

A

A

T

T

P

G

I

V

G

G

T
x
M

K

K

G

P

V

F

Q

E

T

-

A

-

G

-

N

G

S

E

A

T

L

L

P

P

Q

S

E

A

Q

D

K

-

L

M

L

L

H

R

D

P

G

E

Q

L

I

I

I

V

F

S

D

D

M

V

V

V

Y

Y

N

K

P

P

L

T

R

K

T

T

P

R

F

L

V

L

N

E

M

I

A

A

A

E

E

E

A

Q

G

G

A

C

V

Q

V

T

I

L

P

N

G

G

V

L

E

G

M

M

L

M

I

L

A

W

Q

Q

A

G

A

A

E

K

S

A

F

F

C

E

L

I

W

W

T

T

G

H

E

K

T

E

M

M

P

P

V

V

D

D

S

Y

I

I

R

K

E

E

SLS 26:28 (≠ SYS 18:20) binding shikimate
NRKD 161:164 (≠ VRDP 155:158) binding NAD(+)
M214 (≠ T202) binding NADP(+)

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)
35% identity, 98% coverage: 5:287/290 of query aligns to 6:281/282 of Q58484

query
sites
Q58484

T

T

S

K

I

V

L

I

G

G

L

L

I

I

G

G

R

H

N

P

V

V

N

E

Y

H

S

S

Y

F

S

S

P

P

F

I

I

M

H

H

N

N

T

A

A

A

A

F

E

K

M

D

L

K

R

G

L

L

P

N

F

Y

Y

V

Y

Y

T

V

I

A

F

F

N

D

I

V

A

L

D

-

A

P

R

E

Q

N

I

L

P

K

D

Y

A

V

L

I

N

D

G

G

M

A

R

K

A

A

L

L

G

G

I

I

A

V

G

G

L

F

N

N

V

V

T

T

I

I

P

P

Y

H

K

K

Q

I

V

E

V

I

T

M

E

K

Y

Y

V

L

D

D

T

E

L

I

S

D

A

K

E

D

A

A

Q

Q

A

L

V

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

N

I

N

E

N

D

G

G

R

K

L

A

S

I

G

G

C

Y

N

N

T

T

D

D

I

G

A

I

G

G

V

A

S

R

H

M

P

A

L

L

K

E

P

E

Y

E

K

I

E

G

R

R

L

V

H

K

Q

D

S

K

P

N

A

I

G

V

I

I

F

Y

G
|
G

N
x
A

G
|
G

A
|
A

A

A

L

R

A

A

A

V

V

A

E

F

A

E

L

L

R

A

R

K

D

D

Y

-

H

-

P

-

S

N

A

N

I

I

R

I

L

I

F

A

V
x
N

R
|
R

D
x
T

P
x
V

D
x
E

K
|
K

G

A

L

E

A

A

L

L

A

A

E

K

Q

E

V

I

H

A

A

E

K

K

H

L

P

N

E

K

A

K

P

F

I

G

E

E

I

E

F

V

K

K

I

F

D

S

A

G

Y

L

D

D

A

V

I

D

R

L

D

D

-

G

C

V

H

D

L

I

I

I

N

N

A

A

T
|
T

P

P

I

I

G

G

T

-

K

-

G

-

V

-

Q

-

T
x
M

A

Y

G

P

N

N

S

I

A

D

L

V

L

E

P

P

-

I

-

V

Q

K

E

A

Q

E

K

K

L

L

L

R

H

E

D

D

G

-

Q

M

I

V

F

M

D

D

M
x
L

V

I

Y

Y

N

N

P

P

L

L

R

E

T

T

P

V

F

L

V

L

N

K

M

E

A

A

A

K

E

K

A

V

G

N

A

A

V

K

V

T

I

I

P

N

G

G

V

L

E

G

M

M

L

L

I

I

A

Y

Q

Q

A

G

A

A

E

V

S

A

F

F

C

K

L

I

W

W

T

T

G

G

E

V

T

E

M

P

P

N

V

I

D

E

S

V

I

M

R

K

E

N

K

A

I

I

L

I

K

D

K

K

L

I

T

T

GAGGA 130:134 (≠ GNGGA 130:134) binding NADP(+)
NRTVEK 152:157 (≠ VRDPDK 155:160) binding NADP(+)
T196 (= T198) binding NADP(+)
M200 (≠ T207) binding NADP(+)
L224 (≠ M230) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
35% identity, 98% coverage: 5:287/290 of query aligns to 11:286/287 of 1nvtB

query
sites
1nvtB

T

T

S

K

I

V

L

I

G

G

L

L

I

I

G

G

R

H

N

P

V

V

N
x
E

Y
x
H

S

S

Y

F

S

S

P

P

F

I

I

M

H

H

N

N

T

A

A

A

A

F

E

K

M

D

L

K

R

G

L

L

P

N

F

Y

Y

V

Y

Y

T

V

I

A

F

F

N

D

I

V

A

L

D

-

A

P

R

E

Q

N

I

L

P

K

D

Y

A

V

L

I

N

D

G

G

M

A

R

K

A

A

L

L

G

G

I

I

A

V

G

G

L

F

N

N

V

V

T

T

I
|
I

P

P

Y

H

K
|
K

Q

I

V

E

V

I

T

M

E

K

Y

Y

V

L

D

D

T

E

L

I

S

D

A

K

E

D

A

A

Q

Q

A

L

V

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

N

I

N

E

N

D

G

G

R

K

L

A

S

I

G

G

C

Y

N

N

T

T

D
|
D

I

G

A

I

G

G

V

A

S

R

H

M

P

A

L

L

K

E

P

E

Y

E

K

I

E

G

R

R

L

V

H

K

Q

D

S

K

P

N

A

I

G

V

I

I

F

Y

G
|
G

N

A

G
|
G

A
|
A

A

A

L

R

A

A

A

V

V

A

E

F

A

E

L

L

R

A

R

K

D

D

Y

-

H

-

P

-

S

N

A

N

I

I

R

I

L

I

F

A

V
x
N

R
|
R

D
x
T

P

V

D

E

K
|
K

G

A

L

E

A

A

L

L

A

A

E

K

Q

E

V

I

H

A

A

E

K

K

H

L

P

N

E

K

A

K

P

F

I

G

E

E

I

E

F

V

K

K

I

F

D

S

A

G

Y

L

D

D

A

V

I

D

R

L

D

D

-

G

C

V

H

D

L

I

I

I

N

N

A
|
A

T
|
T

P
|
P

I
|
I

G

G

T

-

K

-

G

-

V

-

Q

-

T
x
M

A

Y

G

P

N

N

S

I

A

D

L

V

L

E

P

P

-

I

-

V

Q

K

E

A

Q

E

K

K

L

L

L

R

H

E

D

D

G

-

Q

M

I

V

F

M

D

D

M
x
L

V

I

Y
|
Y

N

N

P

P

L

L

R

E

T

T

P

V

F

L

V

L

N

K

M

E

A

A

A

K

E

K

A

V

G

N

A

A

V

K

V

T

I

I

P

N

G

G

V

L

E

G

M
|
M

L
|
L

I

I

A

Y

Q

Q

A

G

A

A

E

V

S

A

F

F

C

K

L

I

W

W

T

T

G

G

E

V

T

E

M

P

P

N

V

I

D

E

S

V

I

M

R

K

E

N

K

A

I

I

L

I

K

D

K

K

L

I

T

T

active site: K75 (= K70), D111 (= D106)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (= I67), G135 (= G130), G137 (= G132), G138 (= G133), A139 (= A134), N157 (≠ V155), R158 (= R156), T159 (≠ D157), K162 (= K160), A200 (= A197), T201 (= T198), P202 (= P199), I203 (= I200), M205 (≠ T207), L229 (≠ M230), Y231 (= Y232), M255 (= M256), L256 (= L257)
binding zinc ion: E22 (≠ N16), H23 (≠ Y17)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
35% identity, 98% coverage: 5:287/290 of query aligns to 11:286/287 of 1nvtA

query
sites
1nvtA

T

T

S

K

I

V

L

I

G

G

L

L

I

I

G

G

R

H

N

P

V

V

N

E

Y

H

S

S

Y

F

S

S

P

P

F

I

I

M

H

H

N

N

T

A

A

A

A

F

E

K

M

D

L

K

R

G

L

L

P

N

F

Y

Y

V

Y

Y

T

V

I

A

F

F

N

D

I

V

A

L

D

-

A

P

R

E

Q

N

I

L

P

K

D

Y

A

V

L

I

N

D

G

G

M

A

R

K

A

A

L

L

G

G

I

I

A

V

G

G

L

F

N

N

V

V

T

T

I

I

P

P

Y

H

K
|
K

Q

I

V

E

V

I

T

M

E

K

Y

Y

V

L

D

D

T

E

L

I

S

D

A

K

E

D

A

A

Q

Q

A

L

V

I

G

G

A

A

V

V

N

N

T

T

I

I

V

K

N

I

N

E

N

D

G

G

R

K

L

A

S

I

G

G

C

Y

N

N

T

T

D
|
D

I

G

A

I

G

G

V

A

S

R

H

M

P

A

L

L

K

E

P

E

Y

E

K

I

E

G

R

R

L

V

H

K

Q

D

S

K

P

N

A

I

G

V

I

I

F

Y

G
|
G

N

A

G

G

A
|
A

A

A

L

R

A

A

A

V

V

A

E

F

A

E

L

L

R

A

R

K

D

D

Y

-

H

-

P

-

S

N

A

N

I

I

R

I

L

I

F

A

V
x
N

R
|
R

D
x
T

P

V

D

E

K
|
K

G

A

L

E

A

A

L

L

A

A

E

K

Q

E

V

I

H

A

A

E

K

K

H

L

P

N

E

K

A

K

P

F

I

G

E

E

I

E

F

V

K

K

I

F

D

S

A

G

Y

L

D

D

A

V

I

D

R

L

D

D

-

G

C

V

H

D

L

I

I

I

N

N

A
|
A

T
|
T

P
|
P

I
|
I

G

G

T

-

K

-

G

-

V

-

Q

-

T
x
M

A

Y

G

P

N

N

S

I

A

D

L

V

L

E

P

P

-

I

-

V

Q

K

E

A

Q

E

K

K

L

L

L

R

H

E

D

D

G

-

Q

M

I

V

F

M

D

D

M
x
L

V

I

Y
|
Y

N

N

P

P

L

L

R

E

T

T

P

V

F

L

V

L

N

K

M

E

A

A

A

K

E

K

A

V

G

N

A

A

V

K

V

T

I

I

P

N

G
|
G

V

L

E

G

M
|
M

L
|
L

I

I

A

Y

Q

Q

A

G

A

A

E

V

S

A

F

F

C

K

L

I

W

W

T

T

G

G

E

V

T

E

M

P

P

N

V

I

D

E

S

V

I

M

R

K

E

N

K

A

I

I

L

I

K

D

K

K

L

I

T

T

active site: K75 (= K70), D111 (= D106)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G130), A139 (= A134), N157 (≠ V155), R158 (= R156), T159 (≠ D157), K162 (= K160), A200 (= A197), T201 (= T198), P202 (= P199), I203 (= I200), M205 (≠ T207), L229 (≠ M230), Y231 (= Y232), G252 (= G253), M255 (= M256), L256 (= L257)

Q8ZPR4 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
31% identity, 95% coverage: 6:280/290 of query aligns to 8:282/288 of Q8ZPR4

query
sites
Q8ZPR4

S

E

I

L

L

I

G

G

L

L

I

M

G

A

R

Y

N

P

V

I

N

R

Y

H

S

S

Y

L

S

S

P

P

F

E

I

M

H

Q

N

N

T

K

A

A

A

L

E

E

M

K

L

A

R

G

L

L

P

P

F

Y

Y

T

Y

Y

T

M

I

A

F

F

N

E

I

V

A

-

D

D

A

N

R

T

Q

T

I

F

P

A

D

S

A

A

L

I

N

E

G

G

M

L

R

K

A

A

L

L

G

K

I

M

A

R

G

G

L

T

N

G

V

V

T

S

I

M

P

P

Y

N

K

K

Q

Q

V

L

V

A

T

C

E

E

Y

Y

V

V

D

D

T

E

L

L

S

T

A

P

E

A

A

A

Q

K

A

L

V

V

G

G

A

A

V

I

N

N

T

T

I

I

V

V

N

N

N

D

G

G

R

Y

L

L

S

R

G

G

C

Y

N

N

T

T

D

D

I

G

A

T

G

G

V

H

S

I

H

R

P

A

L

I

K

K

P

E

Y

S

K

G

E

F

R

D

L

M

H

R

Q

G

S

K

P

T

A

M

G

V

I

L

F

L

-

G

-
x
A

-
x
G

-
x
A

G

A

N

T

G

A

G

I

A

G

A

A

L

Q

A

A

V

I

E

E

A

G

L

I

R

K

R

E

D

-

Y

-

H

-

P

-

S

-

A

-

I

I

R

K

L

L

F

F

V
x
N

R
|
R

D
x
K

P
x
D

D

D

-

F

-

E

K

K

G

A

L

V

A

A

L

F

A

A

E

K

Q

R

V

V

H

N

A

-

K

E

H

N

P

T

E

D

A

C

P

V

I

V

E

T

I

V

F

T

K

D

I

L

-

A

D

D

A

Q

Y

H

-

A

-

F

-

T

D

E

A

A

I

L

R

A

D

S

C

A

H

D

L

I

L

L

I

T

N

N

A

G

T

T

P
x
K

I

V

G

G

T

M

K

K

G

P

V

L

Q

E

T

-

A

-

G

-

N

N

S

E

A

S

L

L

L

I

P

G

Q

-

E

D

Q

V

K

S

L

L

H

R

D

P

G

E

Q

L

I

L

I

V

F

T

D

E

M
x
C

V
|
V

Y
|
Y

N
|
N

P

P

L

H

R

M

T

T

P

K

F

L

V

L

N

Q

M

Q

A

A

A

Q

E

Q

A

A

G

G

A

C

V

K

V

T

I

I

P

D

G
|
G

V

Y

E

G

M

M

L

L

I

L

A

W

Q

Q

A

G

A

A

E

E

S

Q

F

F

C

E

L

L

W

W

T

T

G

G

E

K

T

A

M

F

P

P

V

L

D

D

S

Y

I

V

R

K

E

Q

AGGA 132:135 (vs. gap) binding NAD(+)
NRKD 155:158 (≠ VRDP 155:158) binding NAD(+)
K205 (≠ P199) binding NAD(+)
CVYN 232:235 (≠ MVYN 230:233) binding NAD(+)
G255 (= G253) binding NAD(+)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
28% identity, 97% coverage: 8:289/290 of query aligns to 3:268/269 of Q5HNV1

query
sites
Q5HNV1

L

F

G

A

L

V

I

I

G

G

R

N

N

P

V

I

N

S

Y

H

S
|
S

Y
x
L

S
|
S

P

P

F

L

I

M

H

H

N

H

T

A

A

N

A

F

E

Q

M

S

L

L

R

N

L

L

P

E

F

N

Y

T

Y

Y

T

E

I

A

F

I

N

N

I

V

A

P

D

-

A

V

R

N

Q

Q

I

F

P

Q

D

D

A

I

L

K

N

K

G

I

M

I

R

S

A

E

L

K

G

S

I

I

A

D

G

G

L

F

N

N

V

V

T
|
T

I

I

P

P

Y

H

K

K

Q

E

V

R

V

I

T

I

E

P

Y

Y

V

L

D

D

T

D

L

I

S

N

A

E

E

Q

A

A

Q

K

A

S

V

V

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

N

V

N

K

N

D

G

G

R

K

L

W

S

I

G

G

C

Y

N

N

T

T

D
|
D

I

G

A

I

G

G

V

Y

S

V

H

N

P

G

L

L

K

K

P

Q

Y

I

K

Y

E

E

R

G

L

I

H

E

Q

D

S

A

P

Y

A

I

G

L

I

I

F

L

G

G

N

A

G

G

A

A

A

S

L

K

A

G

A

I

V

A

E

N

A

E

L

L

R

Y

R

K

D

I

Y

V

H

R

P

P

S

T

-

L

-

T

-

V

A

A

I

N

R

R

L

T

F

M

V

S

R

R

D

F

P

N

D

N

K

W

G

S

L

L

A

N

L

I

A

-

E

N

Q

K

V

I

H

N

A

L

K

S

H

H

P

A

E

E

A

S

P

H

I

L

E

D

I

E

F

F

K

D

I

I

D

-

A

-

Y

-

D

-

A

-

I

-

R

-

D

-

C

-

H

-

L

-

L

I

I

I

N

N

A

T

T

T

P

P

I

A

G

G

T

M

K

N

G

G

V

-

Q

-

T

-

A

-

G

N

N

T

S

D

A

S

L

V

L

I

P

S

Q

L

E

N

Q

R

K

L

L

A

L

S

H

H

D

-

G

-

Q

T

I

L

I

V

F

S

D

D

M

I

V

V

Y
|
Y

N

N

P

P

L

Y

R

K

T

T

P

P

F

I

V

L

N

I

M

E

A

A

A

E

E

Q

A

R

G

G

A

N

V

P

V

I

I

Y

P

N

G

G

V

L

E

D

M

M

L

F

I

V

A

H

Q
|
Q

A

G

A

A

E

E

S

S

F

F

C

K

L

I

W

W

T

T

G

N

E

L

T

E

M

P

P

D

V

I

D

K

S

A

I

M

R

K

E

N

K

I

I

V

L

I

K

Q

K

K

L

L

T

K

A

G

Q

E

SLS 13:15 (≠ SYS 18:20) binding shikimate
T60 (= T66) binding shikimate
N85 (= N91) binding shikimate
D100 (= D106) binding shikimate
Y211 (= Y232) 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 (= Q260) binding shikimate

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
28% identity, 97% coverage: 5:286/290 of query aligns to 6:267/269 of 2hk9A

query
sites
2hk9A

T

T

S

Q

I

L

L

Y

G

G

L

V

I

I

G

G

R

F

N

P

V

V

N

K

Y

H

S
|
S

Y

L

S
|
S

P

P

F

V

I

F

H

Q

N

N

T

A

A

L

A

I

E

R

M

Y

L

A

R

G

L

L

P

N

F

A

Y

V

Y

Y

T

L

I

A

F

F

N

E

I

I

A

-

D

N

A

P

R

E

Q

E

I

L

P

K

D

K

A

A

L

F

N

E

G

G

M

F

R

K

A

A

L

L

G

K

I

V

A

K

G

G

L

I

N
|
N

V

V

T

T

I
x
V

P

P

Y

F

K
|
K

Q

E

V

E

V

I

T

I

E

P

Y

L

V

L

D

D

T

Y

L

V

S

E

A

D

E

T

A

A

Q

K

A

E

V

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

K

N

F

N

E

N

N

G

G

R

K

L

A

S

Y

G

G

C

Y

N

N

T

T

D
|
D

I

W

A

I

G

G

V

F

S

L

H

K

P

S

L

L

K

K

P

S

Y

L

K

I

E

P

R

E

L

V

H

K

Q

E

S

K

P

S

A

I

G

L

I

V

F

L

G

G

N

A

G
|
G

A
|
A

A

S

L

R

A

A

A

V

V

I

E

Y

A

A

L

L

R

V

R

K

D

E

Y

-

H

-

P

G

S

A

A

K

I

V

R

F

L

L

F

W

V
x
N

R
|
R

D
x
T

P

K

D

E

K

K

G

A

L

I

A

K

L

L

A

A

E

Q

Q

K

V

F

H

P

A

L

K

E

H

V

P

V

E

N

A

S

P

P

I

E

E

E

I

V

F

-

K

-

I

-

D

-

A

-

Y

-

D

-

A

-

I

I

R

D

D

K

C

V

H

Q

L

V

L

I

I

V

N

N

A

T

T
|
T

P
x
S

I
x
V

G

G

T

L

K

K

G

D

V

E

Q

D

T

-

A

-

G

-

N

-

S

-

A

-

L

-

P

P

Q

E

-

I

-

F

E

N

Q

Y

K

D

L

L

L

I

H

K

D

K

G

D

Q

H

I

V

F

V

D

D

M

I

V

I

Y
|
Y

N

K

P

-

L

-

R

E

T

T

P

K

F

L

V

L

N

K

M

K

A

A

A

K

E

E

A

K

G

G

A

A

V

K

V

L

I

L

P

D

G

G

V

L

E

P

M

M

L
|
L

I

L

A

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

C

K

L

I

W

W

T

N

G

G

E

C

T

E

M

V

P

P

V

Y

D

-

S

S

I

V

R

A

E

E

K

R

I

S

L

V

K

R

K

D

L

L

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ I67), G132 (= G132), G133 (= G133), A134 (= A134), N153 (≠ V155), R154 (= R156), T155 (≠ D157), T188 (= T198), S189 (≠ P199), V190 (≠ I200)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S18), S21 (= S20), N64 (= N64), K70 (= K70), N91 (= N91), D106 (= D106), Y216 (= Y232), L239 (= L257), Q242 (= Q260)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
28% identity, 97% coverage: 5:286/290 of query aligns to 6:267/267 of 2hk9B

query
sites
2hk9B

T

T

S

Q

I

L

L

Y

G

G

L

V

I

I

G

G

R

F

N

P

V

V

N

K

Y

H

S
|
S

Y

L

S
|
S

P

P

F

V

I

F

H

Q

N

N

T

A

A

L

A

I

E

R

M

Y

L

A

R

G

L

L

P

N

F

A

Y

V

Y

Y

T

L

I

A

F

F

N

E

I

I

A

-

D

N

A

P

R

E

Q

E

I

L

P

K

D

K

A

A

L

F

N

E

G

G

M

F

R

K

A

A

L

L

G

K

I

V

A

K

G

G

L

I

N
|
N

V

V

T
|
T

I
x
V

P

P

Y

F

K
|
K

Q

E

V

E

V

I

T

I

E

P

Y

L

V

L

D

D

T

Y

L

V

S

E

A

D

E

T

A

A

Q

K

A

E

V

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

K

N

F

N

E

N

N

G

G

R

K

L

A

S

Y

G

G

C

Y

N

N

T

T

D
|
D

I

W

A

I

G

G

V

F

S

L

H

K

P

S

L

L

K

K

P

S

Y

L

K

I

E

P

R

E

L

V

H

K

Q

E

S

K

P

S

A

I

G

L

I

V

F

L

G
|
G

N

A

G

G

G
|
G

A
|
A

A

S

L

R

A

A

A

V

V

I

E

Y

A

A

L

L

R

V

R

K

D

E

Y

-

H

-

P

G

S

A

A

K

I

V

R

F

L

L

F

W

V
x
N

R
|
R

D
x
T

P

K

D

E

K
|
K

G

A

L

I

A

K

L

L

A

A

E

Q

Q

K

V

F

H

P

A

L

K

E

H

V

P

V

E

N

A

S

P

P

I

E

E

E

I

V

F

-

K

-

I

-

D

-

A

-

Y

-

D

-

A

-

I

I

R

D

D

K

C

V

H

Q

L

V

L

I

I

V

N

N

A

T

T
|
T

P
x
S

I
x
V

G

G

T

L

K

K

G

D

V

E

Q

D

T

-

A

-

G

-

N

-

S

-

A

-

L

-

P

P

Q

E

-

I

-

F

E

N

Q

Y

K

D

L

L

L

I

H

K

D

K

G

D

Q

H

I

V

F

V

D

D

M
x
I

V

I

Y
|
Y

N

K

P

-

L

-

R

E

T

T

P

K

F

L

V

L

N

K

M

K

A

A

A

K

E

E

A

K

G

G

A

A

V

K

V

L

I

L

P

D

G

G

V

L

E

P

M
|
M

L
|
L

I

L

A

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

C

K

L

I

W

W

T

N

G

G

E

C

T

E

M

V

P

P

V

Y

D

-

S

S

I

V

R

A

E

E

K

R

I

S

L

V

K

R

K

D

L

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ I67), G130 (= G130), G133 (= G133), A134 (= A134), N153 (≠ V155), R154 (= R156), T155 (≠ D157), K158 (= K160), T188 (= T198), S189 (≠ P199), V190 (≠ I200), I214 (≠ M230), M238 (= M256), L239 (= L257)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S18), S21 (= S20), N64 (= N64), T66 (= T66), K70 (= K70), N91 (= N91), D106 (= D106), Y216 (= Y232), L239 (= L257), Q242 (= Q260)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
28% identity, 97% coverage: 5:286/290 of query aligns to 6:267/269 of O67049

query
sites
O67049

T

T

S

Q

I

L

L

Y

G

G

L

V

I

I

G

G

R

F

N

P

V

V

N

K

Y

H

S
|
S

Y
x
L

S
|
S

P

P

F

V

I

F

H

Q

N

N

T

A

A

L

A

I

E

R

M

Y

L

A

R

G

L

L

P

N

F

A

Y

V

Y

Y

T

L

I

A

F

F

N

E

I

I

A

-

D

N

A

P

R

E

Q

E

I

L

P

K

D

K

A

A

L

F

N

E

G

G

M

F

R

K

A

A

L

L

G

K

I

V

A

K

G

G

L

I

N

N

V

V

T

T

I

V

P

P

Y

F

K

K

Q

E

V

E

V

I

T

I

E

P

Y

L

V

L

D

D

T

Y

L

V

S

E

A
x
D

E

T

A

A

Q

K

A

E

V

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

K

N

F

N

E

N

N

G

G

R

K

L

A

S

Y

G

G

C

Y

N

N

T

T

D
|
D

I

W

A

I

G

G

V

F

S

L

H

K

P

S

L

L

K

K

P

S

Y

L

K

I

E

P

R

E

L

V

H

K

Q

E

S

K

P

S

A

I

G

L

I

V

F

L

G
|
G

N
x
A

G
|
G

A
|
A

A

S

L

R

A

A

A

V

V

I

E

Y

A

A

L

L

R

V

R

K

D

E

Y

-

H

-

P

G

S

A

A

K

I

V

R

F

L

L

F

W

V

N

R

R

D

T

P

K

D

E

K

K

G

A

L

I

A

K

L

L

A

A

E

Q

Q

K

V

F

H

P

A

L

K

E

H

V

P

V

E

N

A

S

P

P

I

E

E

E

I

V

F

-

K

-

I

-

D

-

A

-

Y

-

D

-

A

-

I

I

R

D

D

K

C

V

H

Q

L

V

L

I

I

V

N

N

A

T

T

T

P

S

I

V

G

G

T

L

K

K

G

D

V

K

Q

D

T

-

A

-

G

-

N

-

S

-

A

-

L

-

P

P

Q

E

-

I

-

F

E

N

Q

Y

K

D

L

L

L

I

H

K

D

K

G

D

Q

H

I

V

F

V

D

D

M
x
I

V

I

Y
|
Y

N

K

P

-

L

-

R

E

T

T

P

K

F

L

V

L

N

K

M

K

A

A

A

K

E

E

A

K

G

G

A

A

V

K

V

L

I

F

P

D

G
|
G

V

L

E

P

M

M

L

L

I

L

A

W

Q
|
Q

A

G

A

I

E

E

S

A

F

F

C

K

L

I

W

W

T

N

G

G

E

C

T

E

M

V

P

P

V

Y

D

-

S

S

I

V

R

A

E

E

K

R

I

S

L

V

K

R

K

D

L

L

SLS 19:21 (≠ SYS 18:20) binding shikimate
D82 (≠ A82) binding NADP(+)
N91 (= N91) binding shikimate
D106 (= D106) binding shikimate
GAGGA 130:134 (≠ GNGGA 130:134) binding NADP(+)
I214 (≠ M230) binding NADP(+)
Y216 (= Y232) binding shikimate
G235 (= G253) binding NADP(+)
Q242 (= Q260) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
28% identity, 96% coverage: 8:286/290 of query aligns to 3:256/258 of 3dooA

query
sites
3dooA

L

F

G

A

L

V

I

I

G

G

R

N

N

P

V

I

N

S

Y

H

S
|
S

Y

L

S
|
S

P

P

F

L

I

M

H

H

N

H

T

A

A

N

A

F

E

Q

M

S

L

L

R

N

L

L

P

E

F

N

Y

T

Y

Y

T

E

I

A

F

I

N

N

I

V

A

P

D

-

A

V

R

N

Q

Q

I

F

P

Q

D

D

A

I

L

K

N

K

G

I

M

I

R

S

A

E

L

K

G

S

I

I

A

D

G

G

L

F

N
|
N

V

V

T
|
T

I

I

P

P

Y

H

K
|
K

Q

E

V

R

V

I

T

I

E

P

Y

Y

V

L

D

D

T

D

L

I

S

N

A

E

E

Q

A

A

Q

K

A

S

V

V

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

N

V

N

K

N

D

G

G

R

K

L

W

S

I

G

G

C

Y

N

N

T

T

D
|
D

I

G

A

I

G

G

V

Y

S

V

H

N

P

G

L

L

K

K

P

Q

Y

I

K

Y

E

E

R

G

L

I

H

E

Q

D

S

A

P

Y

A

I

G

L

I

I

F

L

G

G

N

A

G

G

A

A

A

S

L

K

A

G

A

I

V

A

E

N

A

E

L

L

R

Y

R

K

D

I

Y

V

H

R

P

P

S

T

-

L

-

T

-

V

A

A

I

N

R

R

L

T

F

M

V

S

R

R

D

F

P

N

D

N

K

W

G

S

L

L

A

N

L

I

A

-

E

N

Q

K

V

I

H

N

A

L

K

S

H

H

P

A

E

E

A

S

P

H

I

L

E

D

I

E

F

F

K

D

I

I

D

-

A

-

Y

-

D

-

A

-

I

-

R

-

D

-

C

-

H

-

L

-

L

I

I

I

N

N

A

T

T

T

P

P

I

V

G

I

T

S

K

-

G

-

V

-

Q

-

T

-

A

-

G

-

N

-

S

-

A

-

L

-

P

-

Q

-

E

-

Q

L

K

N

L

R

L

L

H

A

D

S

G

H

Q

T

I

L

I

V

F

S

D

D

M

I

V

V

Y

Y

N

N

P

P

L

Y

R

K

T

T

P

P

F

I

V

L

N

I

M

E

A

A

A

E

E

Q

A

R

G

G

A

N

V

P

V

I

I

Y

P

N

G

G

V

L

E

D

M

M

L
x
F

I

V

A

H

Q
|
Q

A

G

A

A

E

E

S

S

F

F

C

K

L

I

W

W

T

T

G

N

E

L

T

E

M

P

P

D

V

I

D

K

S

A

I

M

R

K

E

N

K

I

I

V

L

I

K

Q

K

K

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S18), S15 (= S20), N58 (= N64), T60 (= T66), K64 (= K70), N85 (= N91), D100 (= D106), F227 (≠ L257), Q230 (= Q260)

P44774 Shikimate dehydrogenase-like protein HI_0607; SDH-L; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
31% identity, 93% coverage: 8:278/290 of query aligns to 10:259/271 of P44774

query
sites
P44774

L

M

G

S

L

L

I

S

G

G

R

R

N

P

V

S

N

N

Y

F

S

G

Y

T

S

T

P

-

F

-

I

F

H

H

N

N

T

Y

A

L

A

Y

E

D

M

K

L

L

R

G

L

L

P

N

F

F

Y

I

Y

Y

T

K

I

A

F

F

N

T

I

T

A

Q

D

D

A

-

R

-

Q

-

I

I

P

E

D

H

A

A

L

I

N

K

G

G

M

V

R

R

A

A

L

L

G

G

I

I

A

R

G

G

L

C

N

A

V

V

T

S

I

M

P

P

Y

F

K
|
K

Q

E

V

T

V

C

T

M

E

P

Y

F

V

L

D

D

T

E

L

I

S

H

A

P

E

S

A

A

Q

Q

A

A

V

I

G

E

A

S

V

V

N

N

T

T

I

I

V

V

N

N

N

D

N

N

G

G

R

F

L

L

S

R

G

A

C

Y

N

N

T

T

D
|
D

I

Y

A

I

G

A

V

I

S

V

H

K

P

L

L

I

K

E

P

K

Y

Y

K

-

E

-

R

H

L

L

H

N

Q

K

S

N

P

A

A

K

G

V

I

I

F

V

-

H

G

G

N

S

G

G

A

M

A

A

L

K

A

A

A

V

V

V

E

A

A

A

L

F

R

K

R

N

D

S

Y

G

H

F

P

E

S

K

A

-

I

L

R

K

L

I

F

Y

V

A

R

R

D

N

P

V

D

K

K

T

G

G

L

Q

A

Y

L

L

A

A

E

-

Q

-

V

-

H

-

A

A

K

L

H

Y

P

G

E

Y

A

A

P

Y

I

I

E

N

I

S

F

L

K

E

I

N

D

Q

A

Q

Y

A

D

D

A

-

I

-

R

-

D

-

C

-

H

-

L

I

L

L

I

V

N

N

A

V

T

T

P

S

I

I

G

G

T

M

K

K

G

G

V

G

Q

K

T

E

A

E

G

M

N

D

S

L

A

A

L

F

L

-

P

-

Q

-

E

P

Q

K

K

A

L

F

L

I

H

D

D

N

G

A

Q

S

I

V

I

A

F

F

D

D

M

V

V

V

Y

A

N

M

P

P

L

V

R

E

T

T

P

P

F

F

V

I

N

R

M

Y

A

A

A

Q

E

A

A

R

G

G

A

K

V

Q

V

T

I

I

P

S

G

G

V

A

E

A

M

V

L

I

I

V

A

L

Q

Q

A

A

A

V

E

E

S

Q

F

F

C

E

L

L

W

Y

T

T

G

H

E

Q

T

R

M

-

P

P

V

S

D

D

S

E

I

L

K67 (= K70) mutation K->A,H,N: Loss of activity.
D103 (= D106) mutation D->A,N: Loss of activity.

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
34% identity, 90% coverage: 10:270/290 of query aligns to 6:245/262 of 2cy0A

query
sites
2cy0A

L

V

I

L

G

G

R

H

N

P

V

V

N

A

Y

H

S

S

Y

L

S

S

P

P

F

A

I

M

H

H

N

A

T

F

A

A

A

L

E

E

M

S

L

L

R

G

L

L

P

E

F

G

Y

S

Y

Y

T

E

I

A

F

W

N

D

I

T

A

-

D

P

A

L

R

E

Q

A

I

L

P

P

D

G

A

R

L

L

N

K

G

E

M

V

R

R

A

R

L

-

G

A

I

F

A

R

G

G

L

V

N

N

V

L

T

T

I

L

P

P

Y

L

K
|
K

Q

E

V

A

T

L

E

A

Y

H

V

L

D

D

T

W

L

V

S

S

A

P

E

E

A

A

Q

Q

A

R

V

I

G

G

A

A

V

V

N

N

T

T

I

V

V

L

N

Q

N

V

N

E

G

G

R

R

L

L

S

F

G

G

C

F

N

N

T

T

D
|
D

I

A

A

P

G

G

V

F

S

L

H

E

P

A

L

L

K

K

-

A

-

G

-

I

P

P

Y

L

K

K

E

-

R

-

L

-

H

-

Q

-

S

G

P

P

A

A

G

L

I

V

F

L

G
|
G

N

A

G

G

G
|
G

A
|
A

A

G

L

R

A

A

A

V

V

A

E

F

A

A

L

L

R

R

R

E

D

-

Y

-

H

-

P

-

S

A

A

G

I

L

R

E

L

V

F

W

V

V

-

W

-
x
N

R
|
R

D
x
T

P

P

D

Q

K
x
R

G

A

L

L

A

A

L

L

A

A

E

E

Q

E

V

F

H

G

A

L

K

R

H

A

P

-

E

-

A

V

P

P

I

L

E

E

I

-

F

-

K

-

I

-

D

-

A

-

Y

-

D

-

A

K

I

A

R

R

D

E

C

A

H

R

L

L

I

V

N

N

A

A

T
|
T

P
x
R

I
x
V

G

G

T

L

K

E

G

-

V

-

Q

-

T

-

A

-

G

-

N

D

S

P

A

S

L

A

L

S

P

P

Q

L

E

P

Q

A

K

E

L

L

L

F

H

P

D

E

G

E

Q

G

I

A

F

V

D

D

M
x
L

V

V

Y

Y

N

R

P

P

L

L

R

W

T

T

P

R

F

F

V

L

N

R

M

E

A

A

A

K

E

A

A

K

G

G

A

L

V

K

V

V

I

Q

P

T

G

G

V

L

E

P

M

M

L
|
L

I

A

A

W

Q

Q

A

G

A

A

E

L

S

A

F

F

C

R

L

L

W

W

T

T

G

G

active site: K64 (= K70), D100 (= D106)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (= G130), G126 (= G133), A127 (= A134), N146 (vs. gap), R147 (= R156), T148 (≠ D157), R151 (≠ K160), T179 (= T198), R180 (≠ P199), V181 (≠ I200), L205 (≠ M230), L232 (= L257)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
34% identity, 90% coverage: 10:270/290 of query aligns to 6:245/263 of 2ev9B

query
sites
2ev9B

L

V

I

L

G

G

R

H

N

P

V

V

N

A

Y

H

S
|
S

Y

L

S
|
S

P

P

F

A

I

M

H

H

N

A

T

F

A

A

A

L

E

E

M

S

L

L

R

G

L

L

P

E

F

G

Y

S

Y

Y

T

E

I

A

F

W

N

D

I

T

A

-

D

P

A

L

R

E

Q

A

I

L

P

P

D

G

A

R

L

L

N

K

G

E

M

V

R

R

A

R

L

-

G

A

I

F

A

R

G

G

L

V

N
|
N

V

L

T
|
T

I

L

P

P

Y

L

K
|
K

Q

E

V

A

T

L

E

A

Y

H

V

L

D

D

T

W

L

V

S

S

A

P

E

E

A

A

Q

Q

A

R

V

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

N

Q

N

V

N

E

G

G

R

R

L

L

S

F

G

G

C

F

N

N

T

T

D
|
D

I

A

A

P

G

G

V

F

S

L

H

E

P

A

L

L

K

K

-

A

-

G

-

I

P

P

Y

L

K

K

E

-

R

-

L

-

H

-

Q

-

S

G

P

P

A

A

G

L

I

V

F

L

G

G

N

A

G

G

A

A

A

G

L

R

A

A

A

V

V

A

E

F

A

A

L

L

R

R

R

E

D

-

Y

-

H

-

P

-

S

A

A

G

I

L

R

E

L

V

F

W

V

V

-

W

-

N

R

R

D

T

P

P

D

Q

K

R

G

A

L

L

A

A

L

L

A

A

E

E

Q

E

V

F

H

G

A

L

K

R

H

A

P

-

E

-

A

V

P

P

I

L

E

E

I

-

F

-

K

-

I

-

D

-

A

-

Y

-

D

-

A

K

I

A

R

R

D

E

C

A

H

R

L

L

I

V

N

N

A

A

T

T

P

R

I

V

G

G

T

L

K

E

G

-

V

-

Q

-

T

-

A

-

G

-

N

D

S

P

A

S

L

A

L

S

P

P

Q

L

E

P

Q

A

K

E

L

L

L

F

H

P

D

E

G

E

Q

G

I

A

F

V

D

D

M

L

V

V

Y

Y

N

R

P

P

L

L

R

W

T

T

P

R

F

F

V

L

N

R

M

E

A

A

A

K

E

A

A

K

G

G

A

L

V

K

V

V

I

Q

P

T

G

G

V

L

E

P

M

M

L

L

I

A

A

W

Q
|
Q

A

G

A

A

E

L

S

A

F

F

C

R

L

L

W

W

T

T

G

G

active site: K64 (= K70), D100 (= D106)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S18), S16 (= S20), N58 (= N64), T60 (= T66), K64 (= K70), N85 (= N91), D100 (= D106), Q235 (= Q260)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
34% identity, 90% coverage: 10:270/290 of query aligns to 6:245/263 of Q5SJF8

query
sites
Q5SJF8

L

V

I

L

G

G

R

H

N

P

V

V

N

A

Y

H

S
|
S

Y
x
L

S
|
S

P

P

F

A

I

M

H

H

N

A

T

F

A

A

A

L

E

E

M

S

L

L

R

G

L

L

P

E

F

G

Y

S

Y

Y

T

E

I

A

F

W

N

D

I

T

A

-

D

P

A

L

R

E

Q

A

I

L

P

P

D

G

A

R

L

L

N

K

G

E

M

V

R

R

A

R

L

-

G

A

I

F

A

R

G

G

L

V

N

N

V

L

T
|
T

I

L

P

P

Y

L

K
|
K

Q

E

V

A

T

L

E

A

Y

H

V

L

D

D

T

W

L

V

S

S

A

P

E

E

A

A

Q

Q

A

R

V

I

G

G

A

A

V

V

N
|
N

T

T

I

V

V

L

N

Q

N

V

N

E

G

G

R

R

L

L

S

F

G

G

C

F

N

N

T

T

D
|
D

I

A

A

P

G

G

V

F

S

L

H

E

P

A

L

L

K

K

-

A

-

G

-

I

P

P

Y

L

K

K

E

-

R

-

L

-

H

-

Q

-

S

G

P

P

A

A

G

L

I

V

F

L

G
|
G

N
x
A

G
|
G

A
|
A

A

G

L

R

A

A

A

V

V

A

E

F

A

A

L

L

R

R

R

E

D

-

Y

-

H

-

P

-

S

A

A

G

I

L

R

E

L

V

F

W

V

V

-

W

-
x
N

R
|
R

D
x
T

P
|
P

D
x
Q

K
x
R

G

A

L

L

A

A

L

L

A

A

E

E

Q

E

V

F

H

G

A

L

K

R

H

A

P

-

E

-

A

V

P

P

I

L

E

E

I

-

F

-

K

-

I

-

D

-

A

-

Y

-

D

-

A

K

I

A

R

R

D

E

C

A

H

R

L

L

I

V

N

N

A

A

T

T

P

R

I

V

G

G

T

L

K

E

G

-

V

-

Q

-

T

-

A

-

G

-

N

D

S

P

A

S

L

A

L

S

P

P

Q

L

E

P

Q

A

K

E

L

L

L

F

H

P

D

E

G

E

Q

G

I

A

F

V

D

D

M
x
L

V

V

Y
|
Y

N

R

P

P

L

L

R

W

T

T

P

R

F

F

V

L

N

R

M

E

A

A

A

K

E

A

A

K

G

G

A

L

V

K

V

V

I

Q

P

T

G
|
G

V

L

E

P

M

M

L

L

I

A

A

W

Q
|
Q

A

G

A

A

E

L

S

A

F

F

C

R

L

L

W

W

T

T

G

G

SLS 14:16 (≠ SYS 18:20) binding shikimate
T60 (= T66) binding shikimate
K64 (= K70) active site, Proton acceptor
N85 (= N91) binding shikimate
D100 (= D106) binding shikimate
GAGGA 123:127 (≠ GNGGA 130:134) binding NADP(+)
NRTPQR 146:151 (≠ -RDPDK 156:160) binding NADP(+)
L205 (≠ M230) binding NADP(+)
Y207 (= Y232) binding shikimate
G228 (= G253) binding NADP(+)
Q235 (= Q260) binding shikimate

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
31% identity, 99% coverage: 1:286/290 of query aligns to 1:274/278 of Q9KVT3

query
sites
Q9KVT3

M

M

C

A

S

S

I

Q

T

I

S

D

I

Q

L

Y

G

A

L

V

I

F

G

G

R

N

N

P

V

I

N

N

Y

H

S
|
S

Y
x
K

S
|
S

P

P

F

F

I

I

H

H

N

T

T

L

A

F

A

A

E

R

M

Q

L

T

R

Q

L

Q

P

S

F

M

Y

I

Y

Y

T

T

I

-

F

-

N

-

I

-

A

-

D

-

A

A

R

Q

Q

C

I

V

P

P

-

V

-

D

-

G

-

F

-

T

D

E

A

A

L

A

N

K

G

H

M

F

R

F

A

A

L

Q

G

G

I

G

A

R

G

G

L

C

N

N

V

V

T

T

I

V

P

P

Y

F

K

K

Q

E

V

E

V

A

T

Y

E

R

Y

F

V

A

D

D

T

R

L

L

S

T

A

E

E

R

A

A

Q

R

A

L

V

A

G

G

A

A

V

V

N
|
N

T

T

I

L

V

K

N

K

-

L

N

D

G

G

R

E

L

I

S

L

G

G

C

D

N

N

T

T

D
|
D

I

G

A

E

G

G

V

L

S

V

H

Q

P

D

L

L

K

L

P

A

Y

Q

K

Q

E

V

R

L

L

L

H

K

Q

G

S

A

P

T

A

I

G

L

I

L

F

I

G

G

N

A

G

G

A

A

L

R

A

G

A

V

V

L

E

K

A

P

L

L

R

-

R

L

D

D

Y

Q

H

Q

P

P

S

A

A

S

I

I

R

T

L

V

F

T

V
x
N

R
|
R

D
x
T

P
x
F

D
x
A

K
|
K

G

A

L

E

A

Q

L

L

A

A

E

E

Q

L

V

V

H

-

A

A

K

A

H

Y

P

G

E

E

A

V

P

K

I

A

E

Q

I

A

F

F

K

E

-

Q

-

L

I

K

D

Q

A

S

Y

Y

D

D

A

V

I

I

R

-

D

-

C

-

H

-

L

-

I

I

N

N

A

S

T

T

P

S

I

A

G

S

T

L

K

D

G

G

V

E

Q

L

T

P

A

A

G

I

N

D

S

P

A

V

L

I

L

F

P

S

Q

S

E

R

Q

-

K

-

L

-

H

-

D

-

G

-

Q

S

I

V

I

C

F

Y

D

D

M

M

V

M

Y

Y

N

G

P

K

L

G

R

Y

T

T

P

V

F

F

V

N

N

Q

M

W

A

A

A

R

E

Q

A

H

G

G

-

C

A

A

V

Q

V

A

I

I

P

D

G

G

V

L

E

G

M

M

L

L

I

V

A

G

Q
|
Q

A

A

E

E

S

S

F

F

C

M

L

L

W

W

T

R

G

G

E

L

T

R

M

P

P

G

V

T

D

K

S

Q

I

I

R

L

E

R

K

E

I

L

L

R

K

K

K

N

L

L

SKS 18:20 (≠ SYS 18:20) binding shikimate
N90 (= N91) binding shikimate
D106 (= D106) binding shikimate
NRTFAK 154:159 (≠ VRDPDK 155:160) binding NADP(+)
Q248 (= Q260) binding shikimate

Query Sequence

>WP_012506205.1 NCBI__GCF_000020625.1:WP_012506205.1
MCSITSILGLIGRNVNYSYSPFIHNTAAEMLRLPFYYTIFNIADARQIPDALNGMRALGI
AGLNVTIPYKQVVTEYVDTLSAEAQAVGAVNTIVNNNGRLSGCNTDIAGVSHPLKPYKER
LHQSPAGIFGNGGAALAAVEALRRDYHPSAIRLFVRDPDKGLALAEQVHAKHPEAPIEIF
KIDAYDAIRDCHLLINATPIGTKGVQTAGNSALLPQEQKLLHDGQIIFDMVYNPLRTPFV
NMAAEAGAVVIPGVEMLIAQAAESFCLWTGETMPVDSIREKILKKLTAQP

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