SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012042045.1 NCBI__GCF_000015165.1:WP_012042045.1 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)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
34% identity, 92% coverage: 3:260/280 of query aligns to 2:252/267 of 2hk9B

query
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2hk9B

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binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ I68), G130 (= G131), G133 (= G134), A134 (≠ S135), N153 (= N155), R154 (= R156), T155 (= T157), K158 (≠ R160), T188 (= T194), S189 (= S195), V190 (≠ L196), I214 (= I220), M238 (= M246), L239 (= L247)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S20), S21 (= S22), N64 (= N65), T66 (= T67), K70 (= K71), N91 (= N91), D106 (= D106), Y216 (= Y222), L239 (= L247), Q242 (= Q250)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
34% identity, 92% coverage: 3:260/280 of query aligns to 2:252/269 of O67049

query
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O67049

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SLS 19:21 (≠ SRS 20:22) binding shikimate
D82 (≠ S82) binding NADP(+)
N91 (= N91) binding shikimate
D106 (= D106) binding shikimate
GAGGA 130:134 (≠ GSGGS 131:135) binding NADP(+)
I214 (= I220) binding NADP(+)
Y216 (= Y222) binding shikimate
G235 (= G243) binding NADP(+)
Q242 (= Q250) binding shikimate

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
34% identity, 92% coverage: 3:260/280 of query aligns to 2:252/269 of 2hk9A

query
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2hk9A

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binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ I68), G132 (= G133), G133 (= G134), A134 (≠ S135), N153 (= N155), R154 (= R156), T155 (= T157), T188 (= T194), S189 (= S195), V190 (≠ L196)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S20), S21 (= S22), N64 (= N65), K70 (= K71), N91 (= N91), D106 (= D106), Y216 (= Y222), L239 (= L247), Q242 (= Q250)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
31% identity, 91% coverage: 11:265/280 of query aligns to 4:254/269 of Q5HNV1

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Q5HNV1

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SLS 13:15 (≠ SRS 20:22) binding shikimate
T60 (= T67) binding shikimate
N85 (= N91) binding shikimate
D100 (= D106) binding shikimate
Y211 (= Y222) 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 (= Q250) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
30% identity, 91% coverage: 11:265/280 of query aligns to 4:245/258 of 3dooA

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A

S

R

K

A

G

V

I

V

A

F

N

G

E

L

L

L

Y

E

K

R

I

G

V

I

R

G

P

R

T

V

L

H

T

V

V

I

A

N

N

R

R

T

T

A

M

A

S

R

R

A

-

Q

-

A

-

L

-

A

F

D

N

Q

N

F

W

G

S

P

L

R

N

V

I

V

N

A

K

G

I

G

N

W

L

E

S

Q

H

V

A

S

E

A

S

L

H

L

L

P

D

Q

E

A

F

G

D

L

I

V

I

N

N

T

T

S

P

L

V

G

-

M

-

H

-

G

-

Q

-

P

-

L

-

A

-

I

I

E

S

I

L

G

N

R

R

L

L

P

A

E

S

Q

H

A

T

V

L

V

V

V

S

D

D

I

I

V

V

Y

Y

V

N

P

P

L

Y

E

K

T

T

Q

P

L

I

L

L

V

I

A

E

A

A

R

E

A

Q

R

R

G

G

L

N

R

P

T

I

A

Y

D

N

G

G

L

L

G

D

M

M

L
x
F

L

V

H

H

Q
|
Q

A

G

V

A

R

E

G

S

F

F

E

K

L

I

W

W

F

T

G

N

E

L

R

E

P

P

Q

D

V

I

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S20), S15 (= S22), N58 (= N65), T60 (= T67), K64 (= K71), N85 (= N91), D100 (= D106), F227 (≠ L247), Q230 (= Q250)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
33% identity, 97% coverage: 3:274/280 of query aligns to 7:283/287 of 1nvtB

query
sites
1nvtB

L

I

A

N

A

A

K

K

P

T

R

K

A

V

A

I

C

G

L

L

I

I

G

G

W

H

P

P

A

V

A
x
E

H
|
H

S

S

R

F

S

S

P

P

L

I

I

M

H

H

H

N

H

A

W

A

L

F

H

K

K

D

L

K

G

G

I

L

A

N

G

Y

G

V

Y

Y

T

V

I

A

E

F

A

D

V

V

P

L

P

P

E

E

E

N

L

L

A

K

D

Y

F

V

V

I

T

D

H

G

L

A

H

K

G

A

R

L

G

G

F

I

V

V

G

G

A

F

N

N

V

V

T

T

I
|
I

P

P

H

H

K
|
K

E

I

R

E

V

I

L

M

E

K

-

Y

L

L

T

D

K

E

P

I

D

D

S

K

R

D

A

A

R

Q

A

L

V

I

G

G

A

A

A

V

N

N

T

T

L

I

W

K

Y

I

E

E

H

D

G

G

I

K

L

A

R

I

A

G

T

Y

N

N

T

T

D
|
D

V

G

E

I

G

G

F

A

V

R

G

M

N

A

L

L

D

E

A

E

A

I

P

-

G

G

W

R

D

V

R

K

T

D

D

K

V

N

A

I

L

V

V

I

L

Y

G
|
G

S

A

G
|
G

S
x
A

A

A

R

R

A

A

V

V

V

A

F

F

G

E

L

L

L

A

E

K

R

D

G

N

I

-

G

-

R

N

V

I

H

I

V

I

I

A

N
|
N

R
|
R

T
|
T

A

V

A

E

R
x
K

A

A

Q

E

A

A

L

L

A

A

D

K

Q

E

F

I

G

A

P

E

R

K

V

L

V

N

A

K

G

K

G

F

W

G

E

E

Q

E

V

V

-

K

-

F

S

S

A

G

L

L

-

D

-

V

-

D

L

L

P

D

Q

G

A

V

G

D

L

I

V

I

N

N

T
x
A

T
|
T

S
x
P

L
x
I

G

G

M
|
M

H

Y

G

-

Q

-

P

P

P

N

L

I

A

D

I

V

E

E

-

P

-

I

-

V

-

K

I

A

G

E

R

K

L

L

P

R

E

E

Q

D

A

M

V

V

V

M

D

D

I
x
L

V

I

Y
|
Y

V

N

P

P

L

L

E

E

T

T

Q

V

L

L

V

K

A

E

A

A

R

K

A

K

R

V

G

N

L

A

R

K

T

T

A

I

D

N

G

G

L

L

G

G

M
|
M

L
|
L

L

I

H

Y

Q

Q

A

G

V

A

R

V

G

A

F

F

E

K

L

I

W

W

F

T

G

G

E

V

R

E

P

P

Q

N

V

I

T

E

P

V

E

M

L

K

R

N

A

A

L

I

V

I

E

D

active site: K75 (= K71), D111 (= D106)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (= I68), G135 (= G131), G137 (= G133), G138 (= G134), A139 (≠ S135), N157 (= N155), R158 (= R156), T159 (= T157), K162 (≠ R160), A200 (≠ T193), T201 (= T194), P202 (≠ S195), I203 (≠ L196), M205 (= M198), L229 (≠ I220), Y231 (= Y222), M255 (= M246), L256 (= L247)
binding zinc ion: E22 (≠ A18), H23 (= H19)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
33% identity, 97% coverage: 3:274/280 of query aligns to 7:283/287 of 1nvtA

query
sites
1nvtA

L

I

A

N

A

A

K

K

P

T

R

K

A

V

A

I

C

G

L

L

I

I

G

G

W

H

P

P

A

V

A

E

H

H

S

S

R

F

S

S

P

P

L

I

I

M

H

H

H

N

H

A

W

A

L

F

H

K

K

D

L

K

G

G

I

L

A

N

G

Y

G

V

Y

Y

T

V

I

A

E

F

A

D

V

V

P

L

P

P

E

E

E

N

L

L

A

K

D

Y

F

V

V

I

T

D

H

G

L

A

H

K

G

A

R

L

G

G

F

I

V

V

G

G

A

F

N

N

V

V

T

T

I

I

P

P

H

H

K
|
K

E

I

R

E

V

I

L

M

E

K

-

Y

L

L

T

D

K

E

P

I

D

D

S

K

R

D

A

A

R

Q

A

L

V

I

G

G

A

A

A

V

N

N

T

T

L

I

W

K

Y

I

E

E

H

D

G

G

I

K

L

A

R

I

A

G

T

Y

N

N

T

T

D
|
D

V

G

E

I

G

G

F

A

V

R

G

M

N

A

L

L

D

E

A

E

A

I

P

-

G

G

W

R

D

V

R

K

T

D

D

K

V

N

A

I

L

V

V

I

L

Y

G
|
G

S

A

G

G

S
x
A

A

A

R

R

A

A

V

V

V

A

F

F

G

E

L

L

L

A

E

K

R

D

G

N

I

-

G

-

R

N

V

I

H

I

V

I

I

A

N
|
N

R
|
R

T
|
T

A

V

A

E

R
x
K

A

A

Q

E

A

A

L

L

A

A

D

K

Q

E

F

I

G

A

P

E

R

K

V

L

V

N

A

K

G

K

G

F

W

G

E

E

Q

E

V

V

-

K

-

F

S

S

A

G

L

L

-

D

-

V

-

D

L

L

P

D

Q

G

A

V

G

D

L

I

V

I

N

N

T
x
A

T
|
T

S
x
P

L
x
I

G

G

M
|
M

H

Y

G

-

Q

-

P

P

P

N

L

I

A

D

I

V

E

E

-

P

-

I

-

V

-

K

I

A

G

E

R

K

L

L

P

R

E

E

Q

D

A

M

V

V

V

M

D

D

I
x
L

V

I

Y
|
Y

V

N

P

P

L

L

E

E

T

T

Q

V

L

L

V

K

A

E

A

A

R

K

A

K

R

V

G

N

L

A

R

K

T

T

A

I

D

N

G
|
G

L

L

G

G

M
|
M

L
|
L

L

I

H

Y

Q

Q

A

G

V

A

R

V

G

A

F

F

E

K

L

I

W

W

F

T

G

G

E

V

R

E

P

P

Q

N

V

I

T

E

P

V

E

M

L

K

R

N

A

A

L

I

V

I

E

D

active site: K75 (= K71), D111 (= D106)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G131), A139 (≠ S135), N157 (= N155), R158 (= R156), T159 (= T157), K162 (≠ R160), A200 (≠ T193), T201 (= T194), P202 (≠ S195), I203 (≠ L196), M205 (= M198), L229 (≠ I220), Y231 (= Y222), G252 (= G243), M255 (= M246), L256 (= L247)

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)
33% identity, 97% coverage: 3:274/280 of query aligns to 2:278/282 of Q58484

query
sites
Q58484

L

I

A

N

A

A

K

K

P

T

R

K

A

V

A

I

C

G

L

L

I

I

G

G

W

H

P

P

A

V

A

E

H

H

S

S

R

F

S

S

P

P

L

I

I

M

H

H

H

N

H

A

W

A

L

F

H

K

K

D

L

K

G

G

I

L

A

N

G

Y

G

V

Y

Y

T

V

I

A

E

F

A

D

V

V

P

L

P

P

E

E

E

N

L

L

A

K

D

Y

F

V

V

I

T

D

H

G

L

A

H

K

G

A

R

L

G

G

F

I

V

V

G

G

A

F

N

N

V

V

T

T

I

I

P

P

H

H

K

K

E

I

R

E

V

I

L

M

E

K

-

Y

L

L

T

D

K

E

P

I

D

D

S

K

R

D

A

A

R

Q

A

L

V

I

G

G

A

A

A

V

N

N

T

T

L

I

W

K

Y

I

E

E

H

D

G

G

I

K

L

A

R

I

A

G

T

Y

N

N

T

T

D

D

V

G

E

I

G

G

F

A

V

R

G

M

N

A

L

L

D

E

A

E

A

I

P

-

G

G

W

R

D

V

R

K

T

D

D

K

V

N

A

I

L

V

V

I

L

Y

G
|
G

S
x
A

G
|
G

S
x
A

A

A

R

R

A

A

V

V

V

A

F

F

G

E

L

L

L

A

E

K

R

D

G

N

I

-

G

-

R

N

V

I

H

I

V

I

I

A

N
|
N

R
|
R

T
|
T

A
x
V

A
x
E

R
x
K

A

A

Q

E

A

A

L

L

A

A

D

K

Q

E

F

I

G

A

P

E

R

K

V

L

V

N

A

K

G

K

G

F

W

G

E

E

Q

E

V

V

-

K

-

F

S

S

A

G

L

L

-

D

-

V

-

D

L

L

P

D

Q

G

A

V

G

D

L

I

V

I

N

N

T

A

T
|
T

S

P

L

I

G

G

M
|
M

H

Y

G

-

Q

-

P

P

P

N

L

I

A

D

I

V

E

E

-

P

-

I

-

V

-

K

I

A

G

E

R

K

L

L

P

R

E

E

Q

D

A

M

V

V

V

M

D

D

I
x
L

V

I

Y

Y

V

N

P

P

L

L

E

E

T

T

Q

V

L

L

V

K

A

E

A

A

R

K

A

K

R

V

G

N

L

A

R

K

T

T

A

I

D

N

G

G

L

L

G

G

M

M

L

L

L

I

H

Y

Q

Q

A

G

V

A

R

V

G

A

F

F

E

K

L

I

W

W

F

T

G

G

E

V

R

E

P

P

Q

N

V

I

T

E

P

V

E

M

L

K

R

N

A

A

L

I

V

I

E

D

GAGGA 130:134 (≠ GSGGS 131:135) binding NADP(+)
NRTVEK 152:157 (≠ NRTAAR 155:160) binding NADP(+)
T196 (= T194) binding NADP(+)
M200 (= M198) binding NADP(+)
L224 (≠ I220) binding NADP(+)

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
34% identity, 98% coverage: 3:277/280 of query aligns to 1:278/278 of Q9KVT3

query
sites
Q9KVT3

L

M

A

A

A

S

K

Q

P

I

R

D

A

Q

A

Y

C

A

L

V

I

F

G

G

W

N

P

P

A

I

A

N

H

H

S
|
S

R
x
K

S
|
S

P

P

L

F

I

I

H

H

H

T

H

L

W

F

L

A

H

R

K

Q

L

T

G

Q

I

Q

A

S

G

M

G

I

Y

Y

T

T

I

A

E

Q

A

C

V

V

P

P

P

V

E

D

E

G

L

F

A

T

D

E

F

A

V

A

T

K

H

H

L

F

H

F

G

A

R

Q

G

G

F

G

V

R

G

G

A

C

N

N

V

V

T

T

I

V

P

P

H

F

K

K

E

E

R

E

V

A

L

Y

E

R

L

F

T

A

-

D

K

R

P

L

D

T

S

E

R

R

A

A

R

R

A

L

V

A

G

G

A

A

A

V

N
|
N

T

T

L

L

W

K

-

K

Y

L

E

D

H

D

G

G

I

E

L

I

R

L

A

G

T

D

N

N

T

T

D
|
D

V

G

E

E

G

G

F

L

V

V

G

Q

N

D

L

L

D

L

A

A

A

Q

P

V

G

L

W

L

D

K

R

G

T

A

D

T

V

I

A

-

L

L

V

L

L

I

G

G

S

A

G

G

S

A

A

A

R

R

A

G

V

V

V

L

F

K

G

P

L

L

E

D

R

Q

G

Q

I

P

G

A

R

S

V

I

H

T

V

V

I

T

N
|
N

R
|
R

T
|
T

A
x
F

A
|
A

R
x
K

A

A

Q

E

A

Q

L

L

A

A

D

E

Q

L

F

V

G

A

P

A

-

Y

-

G

R

E

V

V

V

K

A

A

G

Q

G

A

W

F

E

E

Q

Q

V

-

S

-

A

-

L

L

L

K

P

Q

Q

S

A

Y

G

D

L

V

L

I

V

I

N

N

T

S

T

T

S

S

L

A

G

S

M

L

H

D

G

G

Q

E

P

L

P

P

L

-

A

A

I

I

E

D

I

P

G

V

R

I

L

F

P

S

E

S

Q

R

A

S

V

V

V

C

V

Y

D

D

I

M

V

M

Y

Y

V

G

P

K

L

G

E

Y

T

T

Q

V

L

F

L

N

V

Q

A

W

A

A

R

R

A

Q

R

H

G

G

L

C

R

A

T

Q

A

A

-

I

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

V

A

R

E

G

S

F

F

E

M

L

L

W

W

F

R

G

G

E

L

R

R

P

P

-

G

-

T

-

K

Q

Q

V

I

T

L

P

R

E

E

L

L

R

R

A

K

L

N

V

L

E

E

A

G

D

A

L

L

SKS 18:20 (≠ SRS 20:22) binding shikimate
N90 (= N91) binding shikimate
D106 (= D106) binding shikimate
NRTFAK 154:159 (≠ NRTAAR 155:160) binding NADP(+)
Q248 (= Q250) binding shikimate

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: 12:274/280 of query aligns to 6:271/272 of 3pgjA

query
sites
3pgjA

L

V

I

F

G

G

W

N

P

P

A

I

A

N

H

H

S
|
S

R

K

S
|
S

P

P

L

F

I

I

H

H

H

T

H

L

W

F

L

A

H

R

K

Q

L

T

G

Q

I

Q

A

S

G

M

G

I

Y

Y

T

T

I

A

E

Q

A

C

V

V

P

P

P

V

E

D

E

G

L

F

A

T

D

E

F

A

V

A

T

K

H

H

L

F

H

F

G

A

R

Q

G

G

F

G

V

R

G

G

A

C

N
|
N

V

V

T
|
T

I

V

P

P

H

F

K
|
K

E

E

R

E

V

A

L

Y

E

R

L

F

T

A

-

D

K

R

P

L

D

T

S

E

R

R

A

A

R

R

A

L

V

A

G

G

A

A

A

V

N
|
N

T

T

L

L

W

K

-

K

Y

L

E

D

H

D

G

G

I

E

L

I

R

L

A

G

T

D

N

N

T

T

D
|
D

V

G

E

E

G

G

F

L

V

V

G

Q

N

D

L

L

D

L

A

A

A

Q

P

V

G

L

W

L

D

K

R

G

T

A

D

T

V

I

A

-

L

L

V

L

L

I

G

G

S

A

G

G

S

A

A

A

R

R

A

G

V

V

V

L

F

K

G

P

L

L

E

D

R

Q

G

Q

I

P

G

A

R

S

V

I

H

T

V

V

I

T

N

N

R

R

T

T

A

F

A

A

R

K

A

A

Q

E

A

Q

L

L

A

A

D

E

Q

L

F

V

G

A

P

A

-

Y

-

G

R

E

V

V

V

K

A

A

G

Q

G

A

W

F

E

E

Q

Q

V

-

S

-

A

-

L

L

L

K

P

Q

Q

S

A

Y

G

D

L

V

L

I

V

I

N

N

T

S

T

T

S

S

L

A

G

S

M

L

H

D

G

G

Q

E

P

L

P

P

L

-

A

A

I

I

E

D

I

P

G

V

R

I

L

F

P

S

E

S

Q

R

A

S

V

V

V

C

V

Y

D

D

I

M

V

M

Y

Y

V

G

P

K

L

G

E

Y

T

T

Q

V

L

F

L

N

V

Q

A

W

A

A

R

R

A

Q

R

H

G

G

L

C

R

A

T

Q

A

A

-

I

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

V

A

R

E

G

S

F

F

E

M

L

L

W

W

F

R

G

G

E

L

R

R

P

P

-

G

-

T

-

K

Q

Q

V

I

T

L

P

R

E

E

L

L

R

R

A

K

L

N

V

L

E

E

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S20), S16 (= S22), N59 (= N65), T61 (= T67), K65 (= K71), N86 (= N91), D102 (= D106), Q244 (= Q250)

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
40% identity, 91% coverage: 11:264/280 of query aligns to 5:249/262 of 2cy0A

query
sites
2cy0A

C

A

L

V

I

L

G

G

W

H

P

P

A

V

A

A

H

H

S

S

R

L

S

S

P

P

L

A

I

M

H

H

H

A

H

F

W

A

L

L

H

E

K

S

L

L

G

G

I

L

A

E

G

G

G

S

Y

Y

T

E

I

A

E

W

A

D

V

T

P

P

P

L

E

E

E

A

L

L

A

P

D

G

F

R

V

L

T

K

H

E

L

V

H

R

G

-

R

R

G

A

F

F

V

R

G

G

A

V

N

N

V

L

T

T

I

L

P

P

H

L

K
|
K

E

E

R

A

V

A

L

L

-

A

E

H

L

L

T

D

K

W

P

V

D

S

S

P

R

E

A

A

R

Q

A

R

V

I

G

G

A

A

A

V

N

N

T

T

L

V

W

L

Y

Q

E

V

H

E

G

G

I

R

L

L

R

F

A

G

T

F

N

N

T

T

D
|
D

V

A

E

P

G

G

F

F

V

L

G

E

N

A

L

L

D

K

A

A

A

G

A

-

P

-

G

G

W

I

D

P

R

L

T

K

D

G

V

P

A

A

L

L

V

V

L

L

G
|
G

S

A

G

G

G
|
G

S
x
A

A

G

R

R

A

A

V

V

V

A

F

F

G

A

L

L

L

R

E

E

R

A

G

G

I

L

G

-

R

E

V

V

H

W

V

V

I

W

N
|
N

R
|
R

T
|
T

A

P

A

Q

R
|
R

A

A

Q

L

A

A

L

L

A

A

D

E

Q

E

F

F

G

G

P

L

R

R

V

A

V

V

A

P

G

-

W

L

E

E

Q

K

V

A

S

R

A

-

L

-

P

-

Q

E

A

A

G

R

L

L

V

V

N

N

T

A

T
|
T

S
x
R

L
x
V

G

G

M

L

H

E

-

D

-

P

G

S

Q

A

P

S

P

P

L

L

A

P

I

A

E

E

I

L

G

-

R

-

L

F

P

P

E

E

Q

E

A

G

V

A

V

V

D

D

I
x
L

V

V

Y

Y

V

R

P

P

L

L

E

W

T

T

Q

R

L

F

L

L

V

R

A

E

A

A

R

K

A

A

R

K

G

G

L

L

R

K

T

V

A

Q

D

T

G

G

L

L

G

P

M

M

L
|
L

L

A

H

W

Q

Q

A

G

V

A

R

L

G

A

F

F

E

R

L

L

W

W

F

T

G

G

E

L

R

L

P

P

Q

D

active site: K64 (= K71), D100 (= D106)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (= G131), G126 (= G134), A127 (≠ S135), N146 (= N155), R147 (= R156), T148 (= T157), R151 (= R160), T179 (= T194), R180 (≠ S195), V181 (≠ L196), L205 (≠ I220), L232 (= L247)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
40% identity, 91% coverage: 11:264/280 of query aligns to 5:249/263 of 2ev9B

query
sites
2ev9B

C

A

L

V

I

L

G

G

W

H

P

P

A

V

A

A

H

H

S
|
S

R

L

S
|
S

P

P

L

A

I

M

H

H

H

A

H

F

W

A

L

L

H

E

K

S

L

L

G

G

I

L

A

E

G

G

G

S

Y

Y

T

E

I

A

E

W

A

D

V

T

P

P

P

L

E

E

E

A

L

L

A

P

D

G

F

R

V

L

T

K

H

E

L

V

H

R

G

-

R

R

G

A

F

F

V

R

G

G

A

V

N
|
N

V

L

T
|
T

I

L

P

P

H

L

K
|
K

E

E

R

A

V

A

L

L

-

A

E

H

L

L

T

D

K

W

P

V

D

S

S

P

R

E

A

A

R

Q

A

R

V

I

G

G

A

A

A

V

N
|
N

T

T

L

V

W

L

Y

Q

E

V

H

E

G

G

I

R

L

L

R

F

A

G

T

F

N

N

T

T

D
|
D

V

A

E

P

G

G

F

F

V

L

G

E

N

A

L

L

D

K

A

A

A

G

A

-

P

-

G

G

W

I

D

P

R

L

T

K

D

G

V

P

A

A

L

L

V

V

L

L

G

G

S

A

G

G

S

A

A

G

R

R

A

A

V

V

V

A

F

F

G

A

L

L

L

R

E

E

R

A

G

G

I

L

G

-

R

E

V

V

H

W

V

V

I

W

N

N

R

R

T

T

A

P

A

Q

R

R

A

A

Q

L

A

A

L

L

A

A

D

E

Q

E

F

F

G

G

P

L

R

R

V

A

V

V

A

P

G

-

W

L

E

E

Q

K

V

A

S

R

A

-

L

-

P

-

Q

E

A

A

G

R

L

L

V

V

N

N

T

A

T

T

S

R

L

V

G

G

M

L

H

E

-

D

-

P

G

S

Q

A

P

S

P

P

L

L

A

P

I

A

E

E

I

L

G

-

R

-

L

F

P

P

E

E

Q

E

A

G

V

A

V

V

D

D

I

L

V

V

Y

Y

V

R

P

P

L

L

E

W

T

T

Q

R

L

F

L

L

V

R

A

E

A

A

R

K

A

A

R

K

G

G

L

L

R

K

T

V

A

Q

D

T

G

G

L

L

G

P

M

M

L

L

L

A

H

W

Q
|
Q

A

G

V

A

R

L

G

A

F

F

E

R

L

L

W

W

F

T

G

G

E

L

R

L

P

P

Q

D

active site: K64 (= K71), D100 (= D106)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S20), S16 (= S22), N58 (= N65), T60 (= T67), K64 (= K71), N85 (= N91), D100 (= D106), Q235 (= Q250)

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
40% identity, 91% coverage: 11:264/280 of query aligns to 5:249/263 of Q5SJF8

query
sites
Q5SJF8

C

A

L

V

I

L

G

G

W

H

P

P

A

V

A

A

H

H

S
|
S

R
x
L

S
|
S

P

P

L

A

I

M

H

H

H

A

H

F

W

A

L

L

H

E

K

S

L

L

G

G

I

L

A

E

G

G

G

S

Y

Y

T

E

I

A

E

W

A

D

V

T

P

P

P

L

E

E

E

A

L

L

A

P

D

G

F

R

V

L

T

K

H

E

L

V

H

R

G

-

R

R

G

A

F

F

V

R

G

G

A

V

N

N

V

L

T
|
T

I

L

P

P

H

L

K
|
K

E

E

R

A

V

A

L

L

-

A

E

H

L

L

T

D

K

W

P

V

D

S

S

P

R

E

A

A

R

Q

A

R

V

I

G

G

A

A

A

V

N
|
N

T

T

L

V

W

L

Y

Q

E

V

H

E

G

G

I

R

L

L

R

F

A

G

T

F

N

N

T

T

D
|
D

V

A

E

P

G

G

F

F

V

L

G

E

N

A

L

L

D

K

A

A

A

G

A

-

P

-

G

G

W

I

D

P

R

L

T

K

D

G

V

P

A

A

L

L

V

V

L

L

G
|
G

S
x
A

G
|
G

S
x
A

A

G

R

R

A

A

V

V

V

A

F

F

G

A

L

L

L

R

E

E

R

A

G

G

I

L

G

-

R

E

V

V

H

W

V

V

I

W

N
|
N

R
|
R

T
|
T

A
x
P

A
x
Q

R
|
R

A

A

Q

L

A

A

L

L

A

A

D

E

Q

E

F

F

G

G

P

L

R

R

V

A

V

V

A

P

G

-

W

L

E

E

Q

K

V

A

S

R

A

-

L

-

P

-

Q

E

A

A

G

R

L

L

V

V

N

N

T

A

T

T

S

R

L

V

G

G

M

L

H

E

-

D

-

P

G

S

Q

A

P

S

P

P

L

L

A

P

I

A

E

E

I

L

G

-

R

-

L

F

P

P

E

E

Q

E

A

G

V

A

V

V

D

D

I
x
L

V

V

Y
|
Y

V

R

P

P

L

L

E

W

T

T

Q

R

L

F

L

L

V

R

A

E

A

A

R

K

A

A

R

K

G

G

L

L

R

K

T

V

A

Q

D

T

G
|
G

L

L

G

P

M

M

L

L

L

A

H

W

Q
|
Q

A

G

V

A

R

L

G

A

F

F

E

R

L

L

W

W

F

T

G

G

E

L

R

L

P

P

Q

D

SLS 14:16 (≠ SRS 20:22) binding shikimate
T60 (= T67) binding shikimate
K64 (= K71) active site, Proton acceptor
N85 (= N91) binding shikimate
D100 (= D106) binding shikimate
GAGGA 123:127 (≠ GSGGS 131:135) binding NADP(+)
NRTPQR 146:151 (≠ NRTAAR 155:160) binding NADP(+)
L205 (≠ I220) binding NADP(+)
Y207 (= Y222) binding shikimate
G228 (= G243) binding NADP(+)
Q235 (= Q250) binding shikimate

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
35% identity, 94% coverage: 12:274/280 of query aligns to 6:268/272 of P15770

query
sites
P15770

L

V

I

F

G

G

W

N

P

P

A

I

A

A

H

H

S

S

R

K

S

S

P

P

L

F

I

I

H

H

H

Q

W

F

L

A

H

Q

K

Q

L

L

G

N

I

I

A

E

G

H

G

P

Y

Y

T

G

I

R

E

V

A

L

V

A

P

P

P

I

E

N

E

D

L

F

A

I

D

N

F

T

V

L

T

N

H

A

L

F

H

F

G

S

R

A

G

G

F

G

V

K

G

G

A

A

N

N

V

V

T

T

I

V

P

P

H

F

K

K

E

E

-

E

-

A

-

F

-

A

R

R

V

A

L

D

E

E

L

L

T

T

K

E

P

-

D

-

S

-

R

R

A

A

R

A

A

L

V

A

G

G

A

A

A

V

N

N

T

T

L

L

W

M

-

R

Y

L

E

E

H

D

G

G

I

R

L

L

R

L

A

G

T

D

N

N

T

T

D

D

V

G

E

V

G

G

F

L

V

L

G

S

N

D

L

L

D

E

A

R

A

L

A

S

-

F

-

I

-

R

P

P

G

G

W

L

D

R

R

-

T

-

D

-

V

-

A

I

L

L

V

L

L

I

G
|
G

S
x
A

G
|
G

S
x
A

A

S

R

R

A

G

V

V

V

L

F

L

G

P

L

L

E

S

R

L

G

D

I

C

G

A

R

-

V

V

H

T

V

I

I

T

N
|
N

R
|
R

T
|
T

A
x
V

A
x
S

R
|
R

A

A

Q

E

A

E

L

L

A

A

D

K

Q

L

F

F

G

A

P

H

-

T

-

G

R

S

V

I

V

Q

A

A

G

L

G

S

W

M

E

D

Q

E

V

L

S

E

A

G

L

-

P

H

Q

E

A

F

G

D

L

L

L

I

V

I

N

N

T

A

T

T

S

S

L

S

G

G

M

I

H

S

G

G

Q

D

P

I

P

P

L

-

A

A

I

I

E

P

I

S

G

S

R

L

L

I

P

H

E

P

Q

G

A

I

V

Y

V

C

V

Y

D

D

I
x
M

V

F

Y

Y

V

Q

P

K

L

G

E

K

T

T

Q

P

L

F

L

L

V

A

A

W

A

C

R

E

A

Q

R

R

G

G

-

S

L

K

R

R

T

N

A

A

D

D

G
|
G

L

L

G

G

M

M

L

L

L

V

H

A

Q

Q

A

A

V

A

R

H

G

A

F

F

E

L

L

L

W

W

F

H

G

G

E

V

R

L

P

P

Q

D

V

V

T

E

P

P

E

V

L

I

R

K

A

Q

L

L

V

Q

E

E

GAGGA 126:130 (≠ GSGGS 131:135) binding NADP(+)
NRTVSR 149:154 (≠ NRTAAR 155:160) binding NADP(+)
M213 (≠ I220) binding NADP(+)
G237 (= G243) binding NADP(+)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
35% identity, 94% coverage: 12:274/280 of query aligns to 6:268/271 of 1nytA

query
sites
1nytA

L

V

I

F

G

G

W

N

P

P

A

I

A

A

H

H

S

S

R

K

S

S

P

P

L

F

I

I

H

H

H

Q

W

F

L

A

H

Q

K

Q

L

L

G

N

I

I

A

E

G

H

G

P

Y

Y

T

G

I

R

E

V

A

L

V

A

P

P

P

I

E

N

E

D

L

F

A

I

D

N

F

T

V

L

T

N

H

A

L

F

H

F

G

S

R

A

G

G

F

G

V

K

G

G

A

A

N

N

V

V

T

T

I

V

P

P

H

F

K
|
K

E

E

-

E

-

A

-

F

-

A

R

R

V

A

L

D

E

E

L

L

T

T

K

E

P

-

D

-

S

-

R

R

A

A

R

A

A

L

V

A

G

G

A

A

A

V

N

N

T

T

L

L

W

M

-

R

Y

L

E

E

H

D

G

G

I

R

L

L

R

L

A

G

T

D

N

N

T

T

D
|
D

V

G

E

V

G

G

F

L

V

L

G

S

N

D

L

L

D

E

A

R

A

L

A

S

-

F

-

I

-

R

P

P

G

G

W

L

D

R

R

-

T

-

D

-

V

-

A

I

L

L

V

L

L

I

G

G

S

A

G
|
G

S
x
A

A

S

R

R

A

G

V

V

V

L

F

L

G

P

L

L

E

S

R

L

G

D

I

C

G

A

R

-

V

V

H

T

V

I

I

T

N
|
N

R
|
R

T
|
T

A

V

A

S

R
|
R

A

A

Q

E

A

E

L

L

A

A

D

K

Q

L

F

F

G

A

P

H

-

T

-

G

R

S

V

I

V

Q

A

A

G

L

G

S

W

M

E

D

Q

E

V

L

S

E

A

G

L

-

P

H

Q

E

A

F

G

D

L

L

L

I

V

I

N

N

T

A

T
|
T

S
|
S

L
x
S

G

G

M

I

H

S

G

G

Q

D

P

I

P

P

L

-

A

A

I

I

E

P

I

S

G

S

R

L

L

I

P

H

E

P

Q

G

A

I

V

Y

V

C

V

Y

D

D

I
x
M

V

F

Y

Y

V

Q

P

K

L

G

E

K

T

T

Q

P

L

F

L

L

V

A

A

W

A

C

R

E

A

Q

R

R

G

G

-

S

L

K

R

R

T

N

A

A

D

D

G
|
G

L

L

G

G

M
|
M

L
|
L

L

V

H

A

Q

Q

A

A

V

A

R

H

G

A

F

F

E

L

L

L

W

W

F

H

G

G

E

V

R

L

P

P

Q

D

V

V

T

E

P

P

E

V

L

I

R

K

A

Q

L

L

V

Q

E

E

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K71), D102 (= D106), G128 (= G133), G129 (= G134), A130 (≠ S135), N149 (= N155), R150 (= R156), T151 (= T157), R154 (= R160), T188 (= T194), S189 (= S195), S190 (≠ L196), M213 (≠ I220), G237 (= G243), M240 (= M246), L241 (= L247)

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
33% identity, 94% coverage: 12:274/280 of query aligns to 6:244/244 of 3sefC

query
sites
3sefC

L

V

I

F

G

G

W

N

P

P

A

I

A

N

H

H

S
|
S

R

K

S
|
S

P

P

L

F

I

I

H

H

H

T

H

L

W

F

L

A

H

R

K

Q

L

T

G

Q

I

Q

A

S

G

M

G

I

Y

Y

T

T

I

A

E

Q

A

C

V

V

P

P

P

V

E

D

E

G

L

F

A

T

D

E

F

A

V

A

T

K

H

H

L

F

H

F

G

A

R

Q

G

G

F

G

V

R

G

G

A

C

N

N

V

V

T

T

I

V

P

P

H

F

K
|
K

E

E

R

E

V

A

L

Y

E

R

L

F

T

A

-

D

K

R

P

L

D

T

S

E

R

R

A

A

R

R

A

L

V

A

G

G

A

A

A

V

N

N

T

T

L

L

W

K

Y

K

E

D

H

D

G

G

I

E

L

I

R

L

A

G

T

D

N

N

T

T

D
|
D

V

G

E

E

G

G

F

L

V

V

G

Q

N

D

L

L

D

L

A

A

A

Q

P

V

G

L

W

L

D

K

R

G

T

A

D

T

V

I

A

-

L

L

V

L

L

I

G

G

S

A

G

G

S

A

A

A

R

R

A

G

V

V

V

L

F

K

G

P

L

L

E

D

R

Q

G

Q

I

P

G

A

R

S

V

I

H

T

V

V

I

T

N

N

R

R

T

T

A

F

A

A

R

K

A

A

Q

E

A

Q

L

L

A

A

D

E

Q

L

F

V

G

A

P

A

-

Y

-

G

R

E

V

V

V

K

A

A

G

Q

G

A

W

F

E

E

Q

Q

V

-

S

-

A

-

L

L

L

K

P

Q

Q

S

A

Y

G

D

L

V

L

I

V

I

N

N

T

S

T

T

S

S

L

-

G

-

M

-

H

-

G

-

Q

-

P

-

L

-

A

A

I

I

E

D

I

P

G

V

R

I

L

F

P

S

E

S

Q

R

A

S

V

V

V

C

V

Y

D

D

I

M

V

M

Y

Y

V

-

P

-

L

-

E

-

T

-

Q

-

L

-

V

-

A

-

R

-

A

-

R

-

G

G

L

I

R

-

T

-

A

-

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

G

Q
|
Q

A

A

V

A

R

E

G

S

F

F

E

M

L

L

W

W

F

R

G

G

E

L

R

R

P

P

-

G

-

T

-

K

Q

Q

V

I

T

L

P

R

E

E

L

L

R

R

A

K

L

N

V

L

E

E

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S20), S16 (= S22), K65 (= K71), D101 (= D106), Q217 (= Q250)

3sefA 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
35% identity, 91% coverage: 20:274/280 of query aligns to 11:267/268 of 3sefA

query
sites
3sefA

S

S

R

K

S

S

P

P

L

F

I

I

H

H

H

T

H

L

W

F

L

A

H

R

K

Q

L

T

G

Q

I

Q

A

S

G

M

G

I

Y

Y

T

T

I

A

E

Q

A

C

V

V

P

P

P

-

E

D

E

G

L

F

A

T

D

E

F

A

V

A

T

K

H

H

L

F

H

F

G

A

R

Q

G

G

F

G

V

R

G

G

A

C

N

N

V

V

T

T

I

V

P

P

H

F

K

K

E

E

R

E

V

A

L

Y

E

R

L

F

T

A

-

D

K

R

P

L

D

T

S

E

R

R

A

A

R

R

A

L

V

A

G

G

A

A

A

V

N

N

T

T

L

L

W

K

-

K

Y

L

E

D

H

D

G

G

I

E

L

I

R

L

A

G

T

D

N

N

T

T

D

D

V

G

E

E

G

G

F

L

V

V

G

Q

N

D

L

L

D

L

A

A

A

Q

P

V

G

L

W

L

D

K

R

G

T

A

D

T

V

I

A

-

L

L

V

L

L

I

G

G

S

A

G
|
G

G

G

S
x
A

A

A

R

R

A

G

V

V

V

L

F

K

G

P

L

L

E

D

R

Q

G

Q

I

P

G

A

R

S

V

I

H

T

V

V

I

T

N
|
N

R
|
R

T
|
T

A

F

A

A

R

K

A

A

Q

E

A

Q

L

L

A

A

D

E

Q

L

F

V

G

A

P

A

-

Y

-

G

R

E

V

V

V

K

A

A

G

Q

G

A

W

F

E

E

Q

Q

V

-

S

-

A

-

L

L

L

K

P

Q

Q

S

A

Y

G

D

L

V

L

I

V

I

N

N

T
x
S

T
|
T

S
|
S

L
x
A

G

S

M

L

H

D

G

G

Q

E

P

L

P

P

L

-

A

A

I

I

E

D

I

P

G

V

R

I

L

F

P

S

E

S

Q

R

A

S

V

V

V

C

V

Y

D

D

I

M

V
x
M

Y

Y

V

G

P

K

L

G

E

Y

T

T

Q

V

L

F

L

N

V

Q

A

W

A

A

R

R

A

Q

R

H

G

G

L

C

R

A

T

Q

A

A

-

I

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

G

Q

Q

A

A

V

A

R

E

G

S

F

F

E

M

L

L

W

W

F

R

G

G

E

L

R

R

P

P

-

G

-

T

-

K

Q

Q

V

I

T

L

P

R

E

E

L

L

R

R

A

K

L

N

V

L

E

E

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G133), A126 (≠ S135), N146 (= N155), R147 (= R156), T148 (= T157), S183 (≠ T193), T184 (= T194), S185 (= S195), A186 (≠ L196), M210 (≠ V221)

7colA Crystal structure of 5-ketofructose reductase complexed with NADPH (see paper)
34% identity, 88% coverage: 16:260/280 of query aligns to 14:262/280 of 7colA

query
sites
7colA

P

P

A

C

A

A

H

D

S

N

R

P

S

T

P

V

L

A

I

M

H

V

H

E

H

A

W

G

L

Y

H

H

K

H

L

A

G

G

I

L

A

D

G

A

G

R

Y

Y

T

I

I

N

E

C

A

D

V

V

P

K

P

A

E

S

E

G

L

L

A

A

D

D

F

A

V

V

T

K

H

G

L

A

H

K

G

A

R

M

G

E

F

W

V

V

G

G

A

F

N

N

V

C

T

S

I

L

P

P

H

H

K

K

E

V

R

A

V

V

L

L

E

D

-

H

L

L

T

D

K

D

P

I

D

A

S

E

R

S

A

A

R

R

A

L

V

I

G

G

A

A

A

V

N

N

T

C

L

V

W

A

Y

I

E

R

H

E

G

G

I

K

L

L

R

I

A

G

T

H

N

N

T

T

D

D

V

G

E

K

G

G

F

F

V

L

G

A

N

S

L

L

D

K

A

T

-

V

A

T

A

S

P

P

G

A

W

G

D

K

R

R

T

V

D

-

V

-

A

-

L

V

V

I

L

L

G
|
G

S

A

G
|
G

S
x
A

A

A

R

R

A

A

V

I

V

A

F

V

G

E

L

L

L

A

E

L

R

A

G

G

I

A

G

A

R

H

V

I

H

T

V

I

I

V

N
|
N

R
|
R

T

D

A

A

A

S

R
x
K

A

A

Q

E

A

T

L

I

A

A

D

A

Q

L

F

I

G

N

P

D

R

K

V

T

V

E

A

A

G

T

G

G

-

E

-

A

-

Q

-

A

W

W

E

S

Q

G

V

K

S

F

A

S

L

L

L

P

P

T

Q

G

A

T

G

D

L

I

L

L

V

I

N

N

T

A

T
|
T

S
|
S

L
x
I

G

G

M

L

H

-

G

G

Q

D

P

P

P

N

L

A

A

A

-

P

I

V

E

E

I

M

G

G

R

S

L

L

P

T

E

K

Q

E

A

T

V

V

V

A

D

D

I
x
V

V

I

Y

P

V

N

P

P

L

P

E

Q

T

T

Q

R

L

F

L

L

V

K

A

D

A

A

R

K

A

A

R

L

G

G

L

C

R

T

T

T

A

L

D

D

G

G

L

L

G

G

M

M

L

L

L

V

H

N

Q
|
Q

A

G

V

V

R

I

G

G

F

V

E

E

L

I

W

W

F

L

G

G

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G128 (= G131), G130 (= G133), G131 (= G134), A132 (≠ S135), N152 (= N155), R153 (= R156), K157 (≠ R160), T195 (= T194), S196 (= S195), I197 (≠ L196), V222 (≠ I220), Q252 (= Q250)

Q9X5C9 Quinate/shikimate dehydrogenase (NAD(+)); QSDH; EC 1.1.1.-; EC 1.1.1.24 from Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / BCRC 11384 / CCUG 27702 / LMG 3730 / NBRC 12168 / NCIMB 10025 / NRRL B-2784 / 534) (see paper)
38% identity, 74% coverage: 60:266/280 of query aligns to 62:274/283 of Q9X5C9

query
sites
Q9X5C9

G

G

F

F

V

N

G

G

A

L

N

N

V

I

T
|
T

I

H

P

P

H

Y

K
|
K

E

Q

R

A

V

V

L

L

E

P

L

L

T

L

K

D

P

E

D

V

S

S

-

E

R

Q

A

A

R

T

A

Q

V

L

G

G

A

A

A

V

N
|
N

T

T

L

V

W

V

Y

I

E

D

-

A

H

T

G

G

I

H

L

T

R

T

A

G

T

H

N

N

T

T

D
|
D

V

V

E

S

G

G

F

F

V

G

G

R

N

G

L

M

D

E

A

E

A

G

A

L

P

P

G

N

W

A

D

-

R

K

T

L

D

D

V

S

A

V

L

V

V

Q

L

V

G

G

S

A

G

G

G
|
G

S
x
V

A

G

R

N

A

A

V

V

V

A

F

Y

G

A

L

L

L

V

E

T

R

H

G

G

I

V

G

Q

R

K

V

L

H

Q

V

V

I

A

N
x
D

R

L

T

D

A

T

A

S

R
|
R

A

A

Q

Q

A

A

L

L

A

A

D

D

-

V

-

I

-

N

Q

A

F

V

G

G

P

R

R

E

V

A

V

V

A

V

G

G

-

V

-

D

-

A

-

R

G

G

W

I

E

E

Q

D

V

V

S

I

A

A

L

-

P

-

Q

A

A

A

G

D

L

G

L

V

V

V

N

N

T

A

T

T

S
x
P

L
x
M

G
|
G

M
|
M

H

P

G

A

Q

H

P

P

P

G

L

T

A
|
A

I

F

E

D

I

V

G

S

R

C

L

L

P

T

E

K

Q

D

A

H

V

W

V

V

V

G

D

D

I
x
V

V

V

Y

Y

V

M

P

P

L

I

E

E

T

T

Q

E

L

L

V

K

A

A

R

R

A

A

R

L

G

G

L

C

R

E

T

T

A

L

D

D

G
|
G

L

T

G

R

M

M

L

A

L

I

H

H

Q
|
Q

A

A

V

V

R

D

G

A

F

F

E

R

L

L

W

F

F

T

G

G

E

L

R

E

P

P

Q

D

V

V

T

S

T69 (= T67) binding L-quinate; binding shikimate
K73 (= K71) active site, Proton acceptor; binding L-quinate; binding shikimate
N94 (= N91) binding L-quinate; binding shikimate
D110 (= D106) binding L-quinate; binding shikimate
GV 137:138 (≠ GS 134:135) binding NAD(+)
D158 (≠ N155) binding NAD(+)
R163 (= R160) binding NAD(+)
PMGM 203:206 (≠ SLGM 195:198) binding NAD(+)
A213 (= A205) binding NAD(+)
V228 (≠ I220) binding NAD(+)
G251 (= G243) binding NAD(+)
Q258 (= Q250) binding L-quinate; binding shikimate

Sites not aligning to the query:

17 binding shikimate
17:19 binding L-quinate

3jyqA Quinate dehydrogenase from corynebacterium glutamicum in complex with shikimate and nadh (see paper)
38% identity, 74% coverage: 60:266/280 of query aligns to 61:273/282 of 3jyqA

query
sites
3jyqA

G

G

F

F

V

N

G

G

A

L

N
|
N

V

I

T
|
T

I

H

P

P

H

Y

K

K

E

Q

R

A

V

V

L

L

E

P

L

L

T

L

K

D

P

E

D

V

S

S

-

E

R

Q

A

A

R

T

A

Q

V

L

G

G

A

A

A

V

N
|
N

T

T

L

V

W

V

Y

I

E

D

-

A

H

T

G

G

I

H

L

T

R

T

A

G

T

H

N

N

T

T

D
|
D

V

V

E

S

G

G

F

F

V

G

G

R

N

G

L

M

D

E

A

E

A

G

A

L

P

P

G

N

W

A

D

-

R

K

T

L

D

D

V

S

A

V

L

V

V

Q

L
x
V

G

G

S

A

G
|
G

S
x
V

A

G

R

N

A

A

V

V

V

A

F

Y

G

A

L

L

L

V

E

T

R

H

G

G

I

V

G

Q

R

K

V

L

H

Q

V

V

I

A

N
x
D

R
x
L

T

D

A

T

A

S

R
|
R

A

A

Q

Q

A

A

L

L

A

A

D

D

-

V

-

I

-

N

Q

A

F

V

G

G

P

R

R

E

V

A

V

V

A

V

G

G

-

V

-

D

-

A

-

R

G

G

W

I

E

E

Q

D

V

V

S

I

A

A

L

-

P

-

Q

A

A

A

G

D

L

G

L

V

V

V

N

N

T

A

T
|
T

S
x
P

L

M

G

G

M
|
M

H

P

G

A

Q

H

P

P

P

G

L

T

A

A

I

F

E

D

I

V

G

S

R

C

L

L

P

T

E

K

Q

D

A

H

V

W

V

V

V

G

D

D

I
x
V

V

V

Y

Y

V

M

P

P

L

I

E

E

T

T

Q

E

L

L

V

K

A

A

R

R

A

A

R

L

G

G

L

C

R

E

T

T

A

L

D

D

G

G

L

T

G

R

M

M

L
x
A

L

I

H

H

Q
|
Q

A

A

V

V

R

D

G

A

F

F

E

R

L

L

W

F

F

T

G

G

E

L

R

E

P

P

Q

D

V

V

T

S

binding nicotinamide-adenine-dinucleotide: V132 (≠ L130), G135 (= G133), G136 (= G134), V137 (≠ S135), D157 (≠ N155), L158 (≠ R156), R162 (= R160), T201 (= T194), P202 (≠ S195), M205 (= M198), V227 (≠ I220), A254 (≠ L247)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: N66 (= N65), T68 (= T67), N93 (= N91), D109 (= D106), Q257 (= Q250)

Sites not aligning to the query:

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

Query Sequence

>WP_012042045.1 NCBI__GCF_000015165.1:WP_012042045.1
MTLAAKPRAACLIGWPAAHSRSPLIHHHWLHKLGIAGGYTIEAVPPEELADFVTHLHGRG
FVGANVTIPHKERVLELTKPDSRARAVGAANTLWYEHGILRATNTDVEGFVGNLDAAAPG
WDRTDVALVLGSGGSARAVVFGLLERGIGRVHVINRTAARAQALADQFGPRVVAGGWEQV
SALLPQAGLLVNTTSLGMHGQPPLAIEIGRLPEQAVVVDIVYVPLETQLLVAARARGLRT
ADGLGMLLHQAVRGFELWFGERPQVTPELRALVEADLRNR

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