SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 5211315 FitnessBrowser__PV4:5211315 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)

Q9KVT3 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Vibrio cholerae serotype O1 (strain ATCC 39315 / El Tor Inaba N16961)
57% identity, 90% coverage: 26:300/304 of query aligns to 1:274/278 of Q9KVT3

query
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Q9KVT3

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SKS 18:20 (= SKS 44:46) binding shikimate
N90 (= N116) binding shikimate
D106 (= D132) binding shikimate
NRTFAK 154:159 (≠ NRTHSK 180:185) binding NADP(+)
Q248 (= Q274) 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
57% identity, 88% coverage: 32:300/304 of query aligns to 2:270/272 of 3pgjA

query
sites
3pgjA

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binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S44), S16 (= S46), N59 (= N89), T61 (= T91), K65 (= K95), N86 (= N116), D102 (= D132), Q244 (= Q274)

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
57% identity, 88% coverage: 32:300/304 of query aligns to 2:266/268 of 3sefA

query
sites
3sefA

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binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G124 (= G158), A126 (= A160), N146 (= N180), R147 (= R181), T148 (= T182), S183 (= S217), T184 (= T218), S185 (= S219), A186 (= A220), M210 (= M244)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
52% identity, 89% coverage: 32:302/304 of query aligns to 2:272/272 of P15770

query
sites
P15770

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GAGGA 126:130 (= GAGGA 156:160) binding NADP(+)
NRTVSR 149:154 (≠ NRTHSK 180:185) binding NADP(+)
M213 (= M243) binding NADP(+)
G237 (= G267) binding NADP(+)

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
52% identity, 89% coverage: 32:301/304 of query aligns to 2:271/271 of 1nytA

query
sites
1nytA

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H

V

S

S

K
x
R

A

A

E

E

Q

E

L

L

A

A

E

K

A

L

F

F

K

A

A

H

Y

T

G

G

Q

S

V

I

K

Q

A

A

S

L

T

S

L

M

D

D

E

E

L

L

T

E

-

G

H

H

S

E

F

F

D

D

I

L

V

I

I

I

N

N

S

A

T
|
T

S
|
S

A
x
S

S

G

L

I

S

S

G

G

E

D

L

I

P

P

S

A

L

I

P

P

K

S

A

S

I

L

I

I

A

H

A

P

H

G

S

I

V

Y

C

C

Y

Y

D

D

M
|
M

M

F

Y

Y

G

Q

R

K

E

G

L

K

T

T

A

P

F

F

N

L

H

A

W

W

A

C

L

E

D

Q

Q

R

G

G

A

S

S

K

Q

R

T

N

I

A

D

D

G
|
G

L

L

G

G

M
|
M

L
|
L

V

V

G

A

Q

Q

A

A

K

H

S

A

F

F

A

L

I

L

W

W

R

H

G

G

V

V

E

L

P

P

A

D

V

V

E

E

P

P

V

V

L

I

A

K

K

Q

L

L

R

Q

S

E

E

E

L

L

A

S

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K95), D102 (= D132), G128 (= G158), G129 (= G159), A130 (= A160), N149 (= N180), R150 (= R181), T151 (= T182), R154 (≠ K185), T188 (= T218), S189 (= S219), S190 (≠ A220), M213 (= M243), G237 (= G267), M240 (= M270), L241 (= L271)

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
52% identity, 88% coverage: 32:300/304 of query aligns to 2:243/244 of 3sefC

query
sites
3sefC

D

D

R

Q

Y

Y

A

A

V

V

F

F

G

G

H

N

P

P

I

I

G

N

H

H

S
|
S

K

K

S
|
S

P

P

A

F

I

I

H

H

Q

T

A

L

F

F

A

A

K

R

S

Q

T

T

G

Q

E

Q

S

S

L

M

Q

I

Y

Y

E

T

A

A

I

Q

L

C

A

V

P

P

L

V

D

D

G

G

F

F

A

T

E

E

S

A

L

A

R

K

A

H

F

F

E

A

H

Q

G

G

K

R

G

G

A

C

N

N

V

V

T

T

L

V

P

P

F

F

K
|
K

E

E

Q

E

A

A

Y

Y

A

R

L

F

C

A

D

D

C

R

L

L

G

T

D

E

E

R

A

A

K

R

L

L

A

A

G

G

A

A

V

V

N

N

T

T

L

L

T

K

R

K

L

-

A

D

D

D

G

G

R

E

I

I

K

L

G

G

D

D

N

N

T

T

D
|
D

G

G

L

E

G

G

L

L

V

V

A

Q

D

D

L

L

E

L

R

A

H

Q

L

Q

G

V

S

L

L

L

C

K

G

G

K

A

S

T

V

I

L

L

I

I

G

G

A

A

G

G

A

A

R

R

G

G

A

V

I

L

L

K

P

P

L

L

N

D

A

Q

G

Q

I

P

D

A

S

S

L

I

T

T

I

V

H

T

N

N

R

R

T

T

H

F

S

A

K

K

A

A

E

E

Q

Q

L

L

A

A

E

E

A

L

F

V

K

A

A

A

Y

Y

G

G

Q

E

V

V

K

K

A

A

S

Q

T

A

L

F

D

E

E

Q

L

L

T

K

H

Q

S

S

F

Y

D

D

I

V

V

I

I

I

N

N

S

S

T

T

S

S

A

A

S

-

L

-

S

-

G

-

E

-

L

-

P

-

S

-

L

I

P

D

K

P

A

V

I

I

I

F

A

S

H

R

S

S

V

V

C

C

Y

Y

D

D

M

M

Y

Y

G

G

R

-

E

-

L

-

T

-

A

-

F

-

N

-

H

-

W

-

A

-

L

-

D

-

Q

-

G

-

A

-

S

-

Q

-

T

-

I

I

D

D

G

G

L

L

G

G

M

M

L

L

V

V

G

G

Q
|
Q

A

A

K

E

S

S

F

F

A

M

I

L

W

W

R

R

G

G

V

L

E

R

P

P

A

G

V

T

E

K

P

Q

V

I

L

L

A

R

K

E

L

L

R

R

S

K

E

N

L

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S44), S16 (= S46), K65 (= K95), D101 (= D132), Q217 (= Q274)

P43876 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
46% identity, 88% coverage: 32:300/304 of query aligns to 2:271/272 of P43876

query
sites
P43876

D

D

R

L

Y

Y

A

A

V

V

F

W

G

G

H

N

P

P

I

I

G

A

H

Q

S

S

K

K

S

S

P

P

A

L

I

I

H

Q

Q

N

A

K

F

L

A

A

K

A

S

Q

T

T

G

H

E

Q

S

T

L

M

Q

E

Y

Y

E

I

A

A

I

K

L

L

A

G

P

D

L

L

D

D

G

A

F

F

A

E

E

Q

S

Q

L

L

R

L

A

A

F

F

E

E

H

E

G

G

G

A

K

K

G

G

A

C

N

N

V

I

T

T

L

S

P

P

F

F

K

K

E

E

Q

R

A

A

Y

Y

A

Q

L

L

C

A

D

D

C

E

L

Y

G

S

D

Q

E

R

A

A

K

K

L

L

A

A

G

E

A

A

V

C

N

N

T

T

L

L

T

K

R

K

L

L

A

D

D

D

G

G

R

K

I

L

K

Y

G

A

D

D

N

N

T

T

D

D

G

G

L

I

G

G

L

L

V

V

A

T

D

D

L

L

E

Q

R

R

H

L

L

N

G

W

S

L

L

R

C

P

G

N

K

Q

S

H

V

V

L

L

L

I

I

L

G
|
G

A
|
A

G
|
G

A
|
A

A

T

R

K

G

G

A

V

I

L

L

L

P

P

L

L

N

Q

A

A

G

Q

I

-

D

Q

S

N

L

I

T

V

I

L

H

A

N
|
N

R
|
R

T
|
T

H
x
F

S
|
S

K
|
K

A

T

E

K

Q

E

L

L

A

A

E

E

A

R

F

F

K

Q

A

P

Y

Y

G

G

Q

N

V

I

K

Q

A

A

S

V

T

S

L

M

D

D

E

S

L

I

-

P

T

L

H

Q

S

T

F

Y

D

D

I

L

V

V

I

I

N

N

S

A

T

T

S
|
S

A

A

S

G

L

L

S

S

G

G

E

G

L

T

P

A

S

S

L

V

P

D

K

A

A

E

I

I

I

L

A

K

A

L

H

G

S

S

V

A

C

F

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

R

K

E

G

L

T

-

D

T

T

A

P

F

F

N

I

H

A

W

L

A

C

L

K

D

S

Q

L

G

G

A

L

S

T

Q

N

T

V

I

S

D

D

G

G

L

F

G

G

M

M

L

L

V

V

G

A

Q

Q

A

A

K

H

S

S

F

F

A

H

I

L

W

W

R

R

G

G

V

V

E

M

P

P

A

D

V

F

E

V

P

S

V

V

L

Y

A

E

K

Q

L

L

R

K

S

K

E

A

L

M

GAGGA 126:130 (= GAGGA 156:160) binding NADP(+)
NRTFSK 149:154 (≠ NRTHSK 180:185) binding NADP(+)
S189 (= S219) binding NADP(+)

1p77A Crystal structure of shikimate dehydrogenase (aroe) from haemophilus influenzae (see paper)
45% identity, 88% coverage: 32:300/304 of query aligns to 2:264/265 of 1p77A

query
sites
1p77A

D

D

R

L

Y

Y

A

A

V

V

F

W

G

G

H

N

P

P

I

I

G

A

H

Q

S

S

K

K

S

S

P

P

A

L

I

I

H

Q

Q

N

A

K

F

L

A

A

K

A

S

Q

T

T

G

H

E

Q

S

T

L

M

Q

E

Y

Y

E

I

A

A

I

K

L

L

A

G

P

D

L

L

D

D

G

A

F

F

A

E

E

Q

S

Q

L

L

R

L

A

A

F

F

E

E

H

E

G

G

G

A

K

K

G

G

A

C

N

N

V

I

T

T

L

S

P

P

F

F

K

K

E

E

Q

R

A

A

Y

Y

A

Q

L

L

C

A

D

D

C

E

L

Y

G

S

D

Q

E

R

A

A

K

K

L

L

A

A

G

E

A

A

V

C

N

N

T

T

L

L

T

K

R

K

L

L

A

D

D

D

G

G

R

K

I

L

K

Y

G

A

D

D

N

N

T

T

D

D

G

G

L

I

G

G

L

L

V

V

A

T

D

D

L

L

E

Q

R

R

H

L

L

N

G

W

S

L

L

R

C

P

G

N

K

Q

S

H

V

V

L

L

L

I

I

L

G
|
G

A

A

G
|
G

A
|
A

A

T

R

K

G

G

A

V

I

L

L

L

P

P

L

L

N

Q

A

A

G

Q

I

-

D

Q

S

N

L

I

T

V

I

L

H

A

N
|
N

R
|
R

T
|
T

H

F

S

S

K
|
K

A

T

E

K

Q

E

L

L

A

A

E

E

A

R

F

F

K

Q

A

P

Y

Y

G

G

Q

N

V

I

K

Q

A

A

S

V

T

S

L

M

D

D

E

S

L

I

-

P

T

L

H

Q

S

T

F

Y

D

D

I

L

V

V

I

I

N

N

S

A

T
|
T

S
|
S

A
|
A

S

S

L

V

S

D

G

A

E

E

L

-

P

-

S

-

L

-

P

-

K

-

A

-

I

I

I

L

A

K

A

L

H

G

S

S

V

A

C

F

Y

Y

D

D

M

M

M

Q

Y

Y

G

A

R

K

E

G

L

T

-

D

T

T

A

P

F

F

N

I

H

A

W

L

A

C

L

K

D

S

Q

L

G

G

A

L

S

T

Q

N

T

V

I

S

D

D

G

G

L

F

G

G

M

M

L

L

V

V

G

A

Q

Q

A

A

K

H

S

S

F

F

A

H

I

L

W

W

R

R

G

G

V

V

E

M

P

P

A

D

V

F

E

V

P

S

V

V

L

Y

A

E

K

Q

L

L

R

K

S

K

E

A

L

M

binding 2'-monophosphoadenosine-5'-diphosphate: G126 (= G156), G128 (= G158), G129 (= G159), A130 (= A160), N149 (= N180), R150 (= R181), T151 (= T182), K154 (= K185), T188 (= T218), S189 (= S219), A190 (= A220)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
35% identity, 88% coverage: 33:300/304 of query aligns to 2:269/269 of Q5HNV1

query
sites
Q5HNV1

R

K

Y

F

A

A

V

V

F

I

G

G

H

N

P

P

I

I

G

S

H

H

S
|
S

K
x
L

S
|
S

P

P

A

L

I

M

H

H

Q

H

A

A

F

N

A

F

K

Q

S

S

T

L

G

N

E

L

S

E

L

N

Q

T

Y

Y

E

E

A

A

I

I

L

N

A

V

P

P

L

V

D

N

G

Q

F

F

A

Q

E

D

S

I

L

K

R

K

A

I

F

I

F

S

E

E

H

K

G

S

G

I

K

D

G

G

A

F

N

N

V

V

T
|
T

L

I

P

P

F

H

K

K

E

E

Q

R

A

I

Y

I

A

P

L

Y

C

L

D

D

C

D

L

I

G

N

D

E

E

Q

A

A

K

K

L

S

A

V

G

G

A

A

V

V

N
|
N

T

T

L

V

T

L

R

-

L

V

A

K

D

D

G

G

R

K

I

W

K

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

L

I

G

G

L

Y

V

V

A

N

D

G

L

L

E

K

R

Q

H

I

L

Y

G

E

S

G

L

I

C

E

G

D

K

A

S

Y

V

I

L

L

L

I

I

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

A

I

I

A

L

N

P

E

L

L

L

Y

N

K

A

I

G

V

I

R

D

P

S

T

L

L

T

T

I

V

H

A

N

N

R

R

T

T

H

M

S

S

K

R

A

F

E

N

Q

N

L

W

A

S

E

L

A

N

F

I

K

N

A

K

Y

I

G

N

Q

L

V

S

K

H

A

A

-

E

S

S

T

H

L

L

D

D

E

E

L

-

T

-

H

-

S

-

F

F

D

D

I

I

V

I

I

I

N

N

S

T

T

T

S

P

A

A

S

G

L

M

S

N

G

G

E

N

L

T

P

D

S

S

-

V

L

I

P

S

K

L

A

N

I

R

I

L

A

A

A

S

H

H

S

T

V

L

C

V

Y

S

D

D

M

I

M

V

Y
|
Y

G

N

R

P

E

Y

L

K

T

T

A

P

F

I

N

L

H

I

W

E

A

A

L

-

D

E

Q

Q

G

R

A

G

S

N

Q

P

T

I

I

Y

D

N

G

G

L

L

G

D

M

M

L

F

V

V

G

H

Q
|
Q

A

G

A

A

K

E

S

S

F

F

A

K

I

I

W

W

R

T

G

N

V

L

E

E

P

P

A

D

V

I

E

K

P

A

-

M

-

K

-

N

-

I

V

V

L

I

A

Q

K

K

L

L

R

K

S

G

E

E

L

L

SLS 13:15 (≠ SKS 44:46) binding shikimate
T60 (= T91) binding shikimate
N85 (= N116) binding shikimate
D100 (= D132) binding shikimate
Y211 (= Y245) 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 (= Q274) binding shikimate

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
34% identity, 87% coverage: 33:297/304 of query aligns to 2:257/258 of 3dooA

query
sites
3dooA

R

K

Y

F

A

A

V

V

F

I

G

G

H

N

P

P

I

I

G

S

H

H

S
|
S

K

L

S
|
S

P

P

A

L

I

M

H

H

Q

H

A

A

F

N

A

F

K

Q

S

S

T

L

G

N

E

L

S

E

L

N

Q

T

Y

Y

E

E

A

A

I

I

L

N

A

V

P

P

L

V

D

N

G

Q

F

F

A

Q

E

D

S

I

L

K

R

K

A

I

F

I

F

S

E

E

H

K

G

S

G

I

K

D

G

G

A

F

N
|
N

V

V

T
|
T

L

I

P

P

F

H

K
|
K

E

E

Q

R

A

I

Y

I

A

P

L

Y

C

L

D

D

C

D

L

I

G

N

D

E

E

Q

A

A

K

K

L

S

A

V

G

G

A

A

V

V

N
|
N

T

T

L

V

T

L

R

-

L

V

A

K

D

D

G

G

R

K

I

W

K

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

L

I

G

G

L

Y

V

V

A

N

D

G

L

L

E

K

R

Q

H

I

L

Y

G

E

S

G

L

I

C

E

G

D

K

A

S

Y

V

I

L

L

L

I

I

L

G

G

A

A

G

G

A

A

A

S

R

K

G

G

A

I

I

A

L

N

P

E

L

L

L

Y

N

K

A

I

G

V

I

R

D

P

S

T

L

L

T

T

I

V

H

A

N

N

R

R

T

T

H

M

S

S

K

R

A

F

E

N

Q

N

L

W

A

S

E

L

A

N

F

I

K

N

A

K

Y

I

G

N

Q

L

V

S

K

H

A

A

-

E

S

S

T

H

L

L

D

D

E

E

L

-

T

-

H

-

S

-

F

F

D

D

I

I

V

I

I

I

N

N

S

T

T

T

S

-

A

-

S

-

L

-

S

-

G

-

E

-

L

-

P

P

S

V

L

I

P

S

K

L

A

N

I

R

I

L

A

A

A

S

H

H

S

T

V

L

C

V

Y

S

D

D

M

I

M

V

Y

Y

G

N

R

P

E

Y

L

K

T

T

A

P

F

I

N

L

H

I

W

E

A

A

L

-

D

E

Q

Q

G

R

A

G

S

N

Q

P

T

I

I

Y

D

N

G

G

L

L

G

D

M

M

L
x
F

V

V

G

H

Q
|
Q

A

G

A

A

K

E

S

S

F

F

A

K

I

I

W

W

R

T

G

N

V

L

E

E

P

P

A

D

V

I

E

K

P

A

-

M

-

K

-

N

-

I

V

V

L

I

A

Q

K

K

L

L

R

K

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S44), S15 (= S46), N58 (= N89), T60 (= T91), K64 (= K95), N85 (= N116), D100 (= D132), F227 (≠ L271), Q230 (= Q274)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
34% identity, 83% coverage: 34:286/304 of query aligns to 9:254/267 of 2hk9B

query
sites
2hk9B

Y

Y

A

G

V

V

F

I

G

G

H

F

P

P

I

V

G

K

H

H

S
|
S

K

L

S
|
S

P

P

A

V

I

F

H

Q

Q

N

A

A

F

L

A

I

K

R

S

Y

T

A

G

G

E

L

S

N

L

A

Q

V

Y

Y

E

L

A

A

I

F

L

E

A

I

P

N

L

P

D

E

G

E

F

L

A

K

E

K

S

A

L

F

R

E

A

G

F

F

F

K

E

A

H

L

G

K

G

V

K

K

G

G

A

I

N
|
N

V

V

T
|
T

L
x
V

P

P

F

F

K
|
K

E

E

Q

E

A

I

Y

I

A

P

L

L

C

L

D

D

C

Y

L

V

G

E

D

D

E

T

A

A

K

K

L

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

T

-

R

K

L

F

A

E

D

N

G

G

R

K

I

A

K

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

L

I

G

G

L

F

V

L

A

K

D

S

L

L

E

K

R

S

H

L

L

I

G

P

S

E

L

V

C

K

G

E

K

K

S

S

V

I

L

L

L

V

I

L

G
|
G

A

A

G

G

G
|
G

A
|
A

A

S

R

R

G

A

A

V

I

I

L

Y

P

A

L

L

L

V

N

K

A

E

G

G

I

-

D

A

S

K

L

V

T

F

I

L

H

W

N
|
N

R
|
R

T
|
T

H

K

S

E

K
|
K

A

A

E

I

Q

K

L

L

A

A

E

Q

A

K

F

F

K

P

A

L

Y

-

G

-

Q

E

V

V

K

-

A

V

S

N

T

S

L

P

D

E

E

E

L

V

T

I

H

D

S

K

F

V

D

Q

I

V

V

I

I

V

N

N

S

T

T
|
T

S
|
S

A
x
V

S

G

L

L

S

K

G

D

E

E

L

D

P

P

S

E

L

I

P

F

K

N

A

Y

-

D

I

L

I

I

A

K

H

D

S

H

V

V

C

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

G

K

R

E

E

-

L

-

T

T

A

K

F

L

N

L

H

K

W

K

A

A

L

K

D

E

Q

K

G

G

A

A

S

-

Q

K

T

L

I

L

D

D

G

G

L

L

G

P

M
|
M

L
|
L

V

L

G

W

Q
|
Q

A

G

A

I

K

E

S

A

F

F

A

K

I

I

W

W

R

N

G

G

V

C

E

E

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ L92), G130 (= G156), G133 (= G159), A134 (= A160), N153 (= N180), R154 (= R181), T155 (= T182), K158 (= K185), T188 (= T218), S189 (= S219), V190 (≠ A220), I214 (≠ M243), M238 (= M270), L239 (= L271)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S44), S21 (= S46), N64 (= N89), T66 (= T91), K70 (= K95), N91 (= N116), D106 (= D132), Y216 (= Y245), L239 (= L271), Q242 (= Q274)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
34% identity, 83% coverage: 34:286/304 of query aligns to 9:254/269 of 2hk9A

query
sites
2hk9A

Y

Y

A

G

V

V

F

I

G

G

H

F

P

P

I

V

G

K

H

H

S
|
S

K

L

S
|
S

P

P

A

V

I

F

H

Q

Q

N

A

A

F

L

A

I

K

R

S

Y

T

A

G

G

E

L

S

N

L

A

Q

V

Y

Y

E

L

A

A

I

F

L

E

A

I

P

N

L

P

D

E

G

E

F

L

A

K

E

K

S

A

L

F

R

E

A

G

F

F

F

K

E

A

H

L

G

K

G

V

K

K

G

G

A

I

N
|
N

V

V

T

T

L
x
V

P

P

F

F

K
|
K

E

E

Q

E

A

I

Y

I

A

P

L

L

C

L

D

D

C

Y

L

V

G

E

D

D

E

T

A

A

K

K

L

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

T

-

R

K

L

F

A

E

D

N

G

G

R

K

I

A

K

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

L

I

G

G

L

F

V

L

A

K

D

S

L

L

E

K

R

S

H

L

L

I

G

P

S

E

L

V

C

K

G

E

K

K

S

S

V

I

L

L

L

V

I

L

G

G

A

A

G
|
G

A
|
A

A

S

R

R

G

A

A

V

I

I

L

Y

P

A

L

L

L

V

N

K

A

E

G

G

I

-

D

A

S

K

L

V

T

F

I

L

H

W

N
|
N

R
|
R

T
|
T

H

K

S

E

K

K

A

A

E

I

Q

K

L

L

A

A

E

Q

A

K

F

F

K

P

A

L

Y

-

G

-

Q

E

V

V

K

-

A

V

S

N

T

S

L

P

D

E

E

E

L

V

T

I

H

D

S

K

F

V

D

Q

I

V

V

I

I

V

N

N

S

T

T
|
T

S
|
S

A
x
V

S

G

L

L

S

K

G

D

E

E

L

D

P

P

S

E

L

I

P

F

K

N

A

Y

-

D

I

L

I

I

A

K

H

D

S

H

V

V

C

V

Y

V

D

D

M

I

Y
|
Y

G

K

R

E

E

-

L

-

T

T

A

K

F

L

N

L

H

K

W

K

A

A

L

K

D

E

Q

K

G

G

A

A

S

-

Q

K

T

L

I

L

D

D

G

G

L

L

G

P

M

M

L
|
L

V

L

G

W

Q
|
Q

A

G

A

I

K

E

S

A

F

F

A

K

I

I

W

W

R

N

G

G

V

C

E

E

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ L92), G132 (= G158), G133 (= G159), A134 (= A160), N153 (= N180), R154 (= R181), T155 (= T182), T188 (= T218), S189 (= S219), V190 (≠ A220)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S44), S21 (= S46), N64 (= N89), K70 (= K95), N91 (= N116), D106 (= D132), Y216 (= Y245), L239 (= L271), Q242 (= Q274)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
33% identity, 83% coverage: 34:286/304 of query aligns to 9:254/269 of O67049

query
sites
O67049

Y

Y

A

G

V

V

F

I

G

G

H

F

P

P

I

V

G

K

H

H

S
|
S

K
x
L

S
|
S

P

P

A

V

I

F

H

Q

Q

N

A

A

F

L

A

I

K

R

S

Y

T

A

G

G

E

L

S

N

L

A

Q

V

Y

Y

E

L

A

A

I

F

L

E

A

I

P

N

L

P

D

E

G

E

F

L

A

K

E

K

S

A

L

F

R

E

A

G

F

F

F

K

E

A

H

L

G

K

G

V

K

K

G

G

A

I

N

N

V

V

T

T

L

V

P

P

F

F

K

K

E

E

Q

E

A

I

Y

I

A

P

L

L

C

L

D

D

C

Y

L

V

G

E

D
|
D

E

T

A

A

K

K

L

E

A

I

G

G

A

A

V

V

N
|
N

T

T

L

V

T

-

R

K

L

F

A

E

D

N

G

G

R

K

I

A

K

Y

G

G

D

Y

N

N

T

T

D
|
D

G

W

L

I

G

G

L

F

V

L

A

K

D

S

L

L

E

K

R

S

H

L

L

I

G

P

S

E

L

V

C

K

G

E

K

K

S

S

V

I

L

L

L

V

I

L

G
|
G

A
|
A

G
|
G

A
|
A

A

S

R

R

G

A

A

V

I

I

L

Y

P

A

L

L

L

V

N

K

A

E

G

G

I

-

D

A

S

K

L

V

T

F

I

L

H

W

N

N

R

R

T

T

H

K

S

E

K

K

A

A

E

I

Q

K

L

L

A

A

E

Q

A

K

F

F

K

P

A

L

Y

-

G

-

Q

E

V

V

K

-

A

V

S

N

T

S

L

P

D

E

E

E

L

V

T

I

H

D

S

K

F

V

D

Q

I

V

V

I

I

V

N

N

S

T

T

T

S

S

A

V

S

G

L

L

S

K

G

D

E

K

L

D

P

P

S

E

L

I

P

F

K

N

A

Y

-

D

I

L

I

I

A

K

H

D

S

H

V

V

C

V

Y

V

D

D

M
x
I

M

I

Y
|
Y

G

K

R

E

E

-

L

-

T

T

A

K

F

L

N

L

H

K

W

K

A

A

L

K

D

E

Q

K

G

G

A

A

S

-

Q

K

T

L

I

F

D

D

G
|
G

L

L

G

P

M

M

L

L

V

L

G

W

Q
|
Q

A

G

A

I

K

E

S

A

F

F

A

K

I

I

W

W

R

N

G

G

V

C

E

E

SLS 19:21 (≠ SKS 44:46) binding shikimate
D82 (= D107) binding NADP(+)
N91 (= N116) binding shikimate
D106 (= D132) binding shikimate
GAGGA 130:134 (= GAGGA 156:160) binding NADP(+)
I214 (≠ M243) binding NADP(+)
Y216 (= Y245) binding shikimate
G235 (= G267) binding NADP(+)
Q242 (= Q274) binding shikimate

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)
37% identity, 84% coverage: 36:290/304 of query aligns to 11:270/282 of Q58484

query
sites
Q58484

V

L

F

I

G

G

H

H

P

P

I

V

G

E

H

H

S

S

K

F

S

S

P

P

A

I

I

M

H

H

Q

N

A

A

F

A

A

F

K

K

S

D

T

K

G

G

E

L

S

N

L

Y

Q

V

Y

Y

E

V

A

A

I

-

L

-

A

-

P

-

L

F

D

D

G

V

F

L

A

P

E

E

S

N

L

L

R

K

A

Y

F

V

F

I

E

D

-

G

-

A

-

K

-

A

H

L

G

G

G

I

K

V

G

G

A

F

N

N

V

V

T

T

L

I

P

P

F

H

K

K

E

I

Q

E

A

I

Y

M

A

K

L

Y

C

L

D

D

C

E

L

I

G

D

D

K

E

D

A

A

K

Q

L

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

T

-

R

K

L

I

A

E

D

D

G

G

R

K

I

A

K

I

G

G

D

Y

N

N

T

T

D

D

G

G

L

I

G

G

L

A

V

R

A

M

D

A

L

L

E

E

R

E

H

E

L

I

G

G

S

R

L

V

C

K

G

D

K

K

S

N

V

I

L

V

L

I

I

Y

G
|
G

A
|
A

G
|
G

A
|
A

A

A

R

R

G

A

A

V

I

A

L

F

P

E

L

L

L

-

N

-

A

A

G

K

I

D

D

N

S

N

L

I

T

I

I

I

H

A

N
|
N

R
|
R

T
|
T

H
x
V

S
x
E

K
|
K

A

A

E

E

Q

A

L

L

A

A

E

K

A

E

F

I

-

A

-

E

-

K

-

L

-

N

K

K

A

K

Y

F

G

G

-

E

Q

E

V

V

K

K

A

F

S

S

T

G

L

L

D

D

E

V

L

D

T

L

H

D

S

G

F

V

D

D

I

I

V

I

I

I

N

N

S

A

T
|
T

S

P

A

I

S

G

L
x
M

S

Y

G

P

E

N

L

I

P

D

S

V

L

E

P

P

K

-

A

-

I

I

I

V

A

K

A

A

H

E

S

K

-

L

-

R

-

E

-

D

-

M

V

V

C

V

Y

M

D

D

M
x
L

M

I

Y

Y

G

N

R

P

E

L

L

E

T

T

A

V

F

L

N

L

H

K

W

E

A

A

L

K

D

K

Q

V

G

N

A

A

S

-

Q

K

T

T

I

I

D

N

G

G

L

L

G

G

M

M

L

L

V

I

G

Y

Q

Q

A

G

A

A

K

V

S

A

F

F

A

K

I

I

W

W

R

T

G

G

V

V

E

E

P

P

A

N

V

I

E

E

GAGGA 130:134 (= GAGGA 156:160) binding NADP(+)
NRTVEK 152:157 (≠ NRTHSK 180:185) binding NADP(+)
T196 (= T218) binding NADP(+)
M200 (≠ L222) binding NADP(+)
L224 (≠ M243) binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
37% identity, 84% coverage: 36:290/304 of query aligns to 16:275/287 of 1nvtB

query
sites
1nvtB

V

L

F

I

G

G

H

H

P

P

I

V

G
x
E

H
|
H

S

S

K

F

S

S

P

P

A

I

I

M

H

H

Q

N

A

A

F

A

A

F

K

K

S

D

T

K

G

G

E

L

S

N

L

Y

Q

V

Y

Y

E

V

A

A

I

-

L

-

A

-

P

-

L

F

D

D

G

V

F

L

A

P

E

E

S

N

L

L

R

K

A

Y

F

V

F

I

E

D

H

G

-

A

-

K

-

A

-

L

G

G

G

I

K

V

G

G

A

F

N

N

V

V

T

T

L
x
I

P

P

F

H

K
|
K

E

I

Q

E

A

I

Y

M

A

K

L

Y

C

L

D

D

C

E

L

I

G

D

D

K

E

D

A

A

K

Q

L

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

T

-

R

K

L

I

A

E

D

D

G

G

R

K

I

A

K

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

L

I

G

G

L

A

V

R

A

M

D

A

L

L

E

E

R

E

H

E

L

I

G

G

S

R

L

V

C

K

G

D

K

K

S

N

V

I

L

V

L

I

I

Y

G
|
G

A

A

G
|
G

A
|
A

A

A

R

R

G

A

A

V

I

A

L

F

P

E

L

L

L

-

N

-

A

A

G

K

I

D

D

N

S

N

L

I

T

I

I

I

H

A

N
|
N

R
|
R

T
|
T

H

V

S

E

K
|
K

A

A

E

E

Q

A

L

L

A

A

E

K

A

E

F

I

-

A

-

E

-

K

-

L

-

N

K

K

A

K

Y

F

G

G

-

E

Q

E

V

V

K

K

A

F

S

S

T

G

L

L

D

D

E

V

L

D

T

L

H

D

S

G

F

V

D

D

I

I

V

I

I

I

N

N

S
x
A

T
|
T

S
x
P

A
x
I

S

G

L
x
M

S

Y

G

P

E

N

L

I

P

D

S

V

L

E

P

P

K

-

A

-

I

I

I

V

A

K

A

A

H

E

S

K

-

L

-

R

-

E

-

D

-

M

V

V

C

V

Y

M

D

D

M
x
L

M

I

Y
|
Y

G

N

R

P

E

L

L

E

T

T

A

V

F

L

N

L

H

K

W

E

A

A

L

K

D

K

Q

V

G

N

A

A

S

-

Q

K

T

T

I

I

D

N

G

G

L

L

G

G

M
|
M

L
|
L

V

I

G

Y

Q

Q

A

G

A

A

K

V

S

A

F

F

A

K

I

I

W

W

R

T

G

G

V

V

E

E

P

P

A

N

V

I

E

E

active site: K75 (= K95), D111 (= D132)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ L92), G135 (= G156), G137 (= G158), G138 (= G159), A139 (= A160), N157 (= N180), R158 (= R181), T159 (= T182), K162 (= K185), A200 (≠ S217), T201 (= T218), P202 (≠ S219), I203 (≠ A220), M205 (≠ L222), L229 (≠ M243), Y231 (= Y245), M255 (= M270), L256 (= L271)
binding zinc ion: E22 (≠ G42), H23 (= H43)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
37% identity, 84% coverage: 36:290/304 of query aligns to 16:275/287 of 1nvtA

query
sites
1nvtA

V

L

F

I

G

G

H

H

P

P

I

V

G

E

H

H

S

S

K

F

S

S

P

P

A

I

I

M

H

H

Q

N

A

A

F

A

A

F

K

K

S

D

T

K

G

G

E

L

S

N

L

Y

Q

V

Y

Y

E

V

A

A

I

-

L

-

A

-

P

-

L

F

D

D

G

V

F

L

A

P

E

E

S

N

L

L

R

K

A

Y

F

V

F

I

E

D

H

G

-

A

-

K

-

A

-

L

G

G

G

I

K

V

G

G

A

F

N

N

V

V

T

T

L

I

P

P

F

H

K
|
K

E

I

Q

E

A

I

Y

M

A

K

L

Y

C

L

D

D

C

E

L

I

G

D

D

K

E

D

A

A

K

Q

L

L

A

I

G

G

A

A

V

V

N

N

T

T

L

I

T

-

R

K

L

I

A

E

D

D

G

G

R

K

I

A

K

I

G

G

D

Y

N

N

T

T

D
|
D

G

G

L

I

G

G

L

A

V

R

A

M

D

A

L

L

E

E

R

E

H

E

L

I

G

G

S

R

L

V

C

K

G

D

K

K

S

N

V

I

L

V

L

I

I

Y

G
|
G

A

A

G

G

A
|
A

A

A

R

R

G

A

A

V

I

A

L

F

P

E

L

L

L

-

N

-

A

A

G

K

I

D

D

N

S

N

L

I

T

I

I

I

H

A

N
|
N

R
|
R

T
|
T

H

V

S

E

K
|
K

A

A

E

E

Q

A

L

L

A

A

E

K

A

E

F

I

-

A

-

E

-

K

-

L

-

N

K

K

A

K

Y

F

G

G

-

E

Q

E

V

V

K

K

A

F

S

S

T

G

L

L

D

D

E

V

L

D

T

L

H

D

S

G

F

V

D

D

I

I

V

I

I

I

N

N

S
x
A

T
|
T

S
x
P

A
x
I

S

G

L
x
M

S

Y

G

P

E

N

L

I

P

D

S

V

L

E

P

P

K

-

A

-

I

I

I

V

A

K

A

A

H

E

S

K

-

L

-

R

-

E

-

D

-

M

V

V

C

V

Y

M

D

D

M
x
L

M

I

Y
|
Y

G

N

R

P

E

L

L

E

T

T

A

V

F

L

N

L

H

K

W

E

A

A

L

K

D

K

Q

V

G

N

A

A

S

-

Q

K

T

T

I

I

D

N

G
|
G

L

L

G

G

M
|
M

L
|
L

V

I

G

Y

Q

Q

A

G

A

A

K

V

S

A

F

F

A

K

I

I

W

W

R

T

G

G

V

V

E

E

P

P

A

N

V

I

E

E

active site: K75 (= K95), D111 (= D132)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G156), A139 (= A160), N157 (= N180), R158 (= R181), T159 (= T182), K162 (= K185), A200 (≠ S217), T201 (= T218), P202 (≠ S219), I203 (≠ A220), M205 (≠ L222), L229 (≠ M243), Y231 (= Y245), G252 (= G267), M255 (= M270), L256 (= L271)

3phiA Shikimate 5-dehydrogenase (aroe) from helicobacter pylori in complex with shikimate and NADPH
35% identity, 87% coverage: 34:298/304 of query aligns to 6:258/259 of 3phiA

query
sites
3phiA

Y

F

A

G

V

V

F

F

G

G

H

N

P

P

I

I

G

K

H

H

S
|
S

K

K

S
|
S

P

P

A

L

I

I

H

H

Q

N

A

A

F

C

A

F

K

L

S

T

T

F

G

Q

E

K

S

E

L

L

Q

R

-

F

-

L

-

G

-

H

Y

Y

E

H

A

P

I

I

L

L

A

L

P

P

L

L

D

E

G

S

F

H

A

I

E

K

S

S

L

-

R

-

A

E

F

F

F

L

E

H

H

L

G

G

G

L

K

S

G

G

A

A

N
|
N

V

V

T

T

L
|
L

P
|
P

F

F

K
|
K

E

E

Q

R

A

A

Y

F

A

Q

L

V

C

C

D

D

C

K

L

I

G

K

D

G

E

I

A

A

K

L