SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 353741 FitnessBrowser__Btheta:353741 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)
36% identity, 98% coverage: 4:247/248 of query aligns to 9:251/267 of 2hk9B

query
sites
2hk9B

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N

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ I61), G130 (= G128), G133 (= G131), A134 (= A132), N153 (≠ S151), R154 (= R152), T155 (= T153), K158 (≠ T156), T188 (= T180), S189 (≠ P181), V190 (= V182), I214 (≠ L208), M238 (= M234), L239 (= L235)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S14), S21 (= S16), N64 (= N58), T66 (= T60), K70 (= K64), N91 (= N85), D106 (= D105), Y216 (= Y210), L239 (= L235), Q242 (= Q238)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
36% identity, 98% coverage: 4:247/248 of query aligns to 9:251/269 of O67049

query
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O67049

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SLS 19:21 (≠ SFS 14:16) binding
D82 (≠ R76) binding
N91 (= N85) binding
D106 (= D105) binding
GAGGA 130:134 (≠ GTGGA 128:132) binding
I214 (≠ L208) binding
Y216 (= Y210) binding
G235 (= G231) binding
Q242 (= Q238) binding

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
36% identity, 98% coverage: 4:247/248 of query aligns to 9:251/269 of 2hk9A

query
sites
2hk9A

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binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ I61), G132 (= G130), G133 (= G131), A134 (= A132), N153 (≠ S151), R154 (= R152), T155 (= T153), T188 (= T180), S189 (≠ P181), V190 (= V182)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (= S14), S21 (= S16), N64 (= N58), K70 (= K64), N91 (= N85), D106 (= D105), Y216 (= Y210), L239 (= L235), Q242 (= Q238)

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, 98% coverage: 5:246/248 of query aligns to 10:262/282 of Q58484

query
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Q58484

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GAGGA 130:134 (≠ -GTGG 128:131) binding
NRTVEK 152:157 (≠ SRTHKT 151:156) binding
T196 (= T180) binding
M200 (= M184) binding
L224 (= L208) binding

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
33% identity, 98% coverage: 5:246/248 of query aligns to 15:267/287 of 1nvtB

query
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1nvtB

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E

G

L

L

A

K

K

N

D

L

N

G

N

I

I

E

-

S

-

V

I

F

I

V

A

S
x
N

R
|
R

T
|
T

H

V

K

E

T
x
K

D

A

D

E

M

A

L

L

T

A

-

K

-

E

-

I

Y

A

E

E

E

K

L

L

T

N

P

K

E

K

I

F

M

G

E

E

Y

V

T

K

-

F

-

S

-

G

-

L

-

D

-

V

-

D

-

L

-

D

-

G

-

V

-

D

V

I

I

I

V

I

N

N

C
x
A

T
|
T

P
|
P

V
x
I

G

G

M
|
M

Y

Y

P

P

K

N

V

I

D

D

F

V

C

E

P

P

N

I

I

V

P

K

Y

A

E

E

L

K

L

L

T

R

P

E

N

D

H

M

L

V

Y

M

D

D

L
|
L

L

I

Y
|
Y

N

N

P

P

N

L

V

E

T

T

L

V

F

L

M

L

K

K

K

E

G

A

E

K

A

K

Q

V

G

N

A

A

V

K

T

T

K

I

N

N

G

G

L

L

E

G

M
|
M

L
|
L

L

I

L

Y

Q

Q

A

G

F

A

A

V

A

A

W

F

E

K

I

I

W

W

active site: K75 (= K64), D111 (= D105)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (= I61), G135 (vs. gap), G137 (≠ T129), G138 (= G130), A139 (≠ G131), N157 (≠ S151), R158 (= R152), T159 (= T153), K162 (≠ T156), A200 (≠ C179), T201 (= T180), P202 (= P181), I203 (≠ V182), M205 (= M184), L229 (= L208), Y231 (= Y210), M255 (= M234), L256 (= L235)
binding zinc ion: E22 (≠ R12), H23 (= H13)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
33% identity, 98% coverage: 5:246/248 of query aligns to 15:267/287 of 1nvtA

query
sites
1nvtA

G

G

L

L

I

I

G

G

Y

H

P

P

L

V

R

E

H

H

S

S

F

F

S

S

I

P

G

I

Y

M

F

H

N

N

E

A

K

A

F

F

R

K

S

D

E

K

G

G

I

L

N

N

A

Y

E

V

Y

Y

V

V

N

A

F

F

E

D

I

V

-

L

P

P

N

E

I

N

N

L

D

K

F

Y

M

V

E

I

V

D

I

G

E

A

E

K

N

A

P

L

N

G

L

I

C

V

G

G

L

F

N

N

V

V

T

T

I

I

P

P

Y

H

K
|
K

E

I

Q

E

V

I

I

M

P

K

F

Y

L

L

N

D

E

E

L

I

D

D

R

K

D

D

T

A

A

Q

K

L

I

I

G

G

A

A

V

V

N

N

V

T

I

I

K

K

I

I

I

-

R

-

Q

-

P

E

K

D

G

G

K

K

V

A

K

-

L

-

V

I

G

G

Y

Y

N

N

S

T

D
|
D

I

G

I

I

G

G

F

A

T

R

Q

M

S

A

I

L

Q

E

P

E

L

E

L

I

Q

G

P

R

Q

V

H

K

K

D

K

K

A

N

L

I

I

V

L

I

-

Y

-
x
G

G

A

T

G

G

G

G
x
A

A

A

S

R

K

A

A

V

V

A

Y

F

H

E

G

L

L

A

K

K

N

D

L

N

G

N

I

I

E

-

S

-

V

I

F

I

V

A

S
x
N

R
|
R

T
|
T

H

V

K

E

T
x
K

D

A

D

E

M

A

L

L

T

A

-

K

-

E

-

I

Y

A

E

E

E

K

L

L

T

N

P

K

E

K

I

F

M

G

E

E

Y

V

T

K

-

F

-

S

-

G

-

L

-

D

-

V

-

D

-

L

-

D

-

G

-

V

-

D

V

I

I

I

V

I

N

N

C
x
A

T
|
T

P
|
P

V
x
I

G

G

M
|
M

Y

Y

P

P

K

N

V

I

D

D

F

V

C

E

P

P

N

I

I

V

P

K

Y

A

E

E

L

K

L

L

T

R

P

E

N

D

H

M

L

V

Y

M

D

D

L
|
L

L

I

Y
|
Y

N

N

P

P

N

L

V

E

T

T

L

V

F

L

M

L

K

K

K

E

G

A

E

K

A

K

Q

V

G

N

A

A

V

K

T

T

K

I

N

N

G
|
G

L

L

E

G

M
|
M

L
|
L

L

I

L

Y

Q

Q

A

G

F

A

A

V

A

A

W

F

E

K

I

I

W

W

active site: K75 (= K64), D111 (= D105)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (vs. gap), A139 (≠ G131), N157 (≠ S151), R158 (= R152), T159 (= T153), K162 (≠ T156), A200 (≠ C179), T201 (= T180), P202 (= P181), I203 (≠ V182), M205 (= M184), L229 (= L208), Y231 (= Y210), G252 (= G231), M255 (= M234), L256 (= L235)

2gptA Crystal structure of arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase in complex with tartrate and shikimate (see paper)
33% identity, 98% coverage: 4:246/248 of query aligns to 237:472/498 of 2gptA

query
sites
2gptA

Y

Y

G

G

L
x
I

I

I

G

G

Y

K

P

P

L

V

R

S

H

H

S
|
S

F

K

S
|
S

I

P

G

I

Y

V

F

H

N

N

E

Q

K

A

F

F

R

K

S

S

E

V

G

D

I

F

N

N

A

G

E

V

Y

Y

V

V

N

H

F

L

E

L

I

V

P

D

N

N

I

L

N

V

D

S

F

F

M

L

E

Q

V

A

I

Y

E

S

N

S

P

-

N

D

L

F

C

A

G

G

L

F

N

S

V

C

T
|
T

I

I

P

P

Y

H

K
|
K

E

E

Q

A

V

A

I

L

P

Q

F

C

L

C

N

D

E

E

L

V

D

D

R

P

D

L

T

A

A

K

K

S

I

I

G

G

A

A

V

V

N
|
N

V

T

I

I

K

-

I

L

I

R

R

R

Q

K

P

S

K

D

G

G

K

K

V

-

K

-

L

L

V

L

G

G

Y

Y

N

N

S

T

D
|
D

I

C

I

I

G

G

F

S

T

I

Q

S

S

A

I

I

Q

E

P

D

L

G

L

L

Q

T

P

-

Q

-

H

-

K

-

A

V

L

V

I

V

L

I

G

G

T

A

G

G

A

A

S

G

K

K

A

A

V

L

Y

A

H

Y

G

G

L

A

K

K

N

E

L

K

G

G

I

A

E

K

S

V

V

V

F

I

V

A

S

N

R

R

T

T

H

Y

K

E

T

R

D

E

D

L

M

A

L

E

T

A

Y

I

E

G

E

A

L

L

T

S

P

L

E

T

I

D

M

L

E

D

E

N

Y

Y

-

E

-

D

-

G

T

M

V

V

I

L

V

A

N

N

C

T

T

T

P

S

V

M

G

G

M

M

Y

Q

P

P

K

N

V

V

D

E

F

E

C

T

P

P

N

-

I

I

P

S

Y

K

E

D

L

A

L

L

T

K

P

H

N

Y

H

A

L

L

L

V

Y

F

D

D

L

A

L

V

Y
|
Y

N

T

P

P

N

R

V

I

T

T

L

R

F

L

M

L

K

R

K

E

G

A

E

E

A

E

Q

S

G

G

A

A

V

I

T

T

K

V

N

S

G

G

L

S

E

E

M

M

L

F

L

V

L

R

Q
|
Q

A

A

F

Y

A

E

A
x
Q

W

F

E

E

I

I

W

F

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: I239 (≠ L6), S247 (= S14), S249 (= S16), T292 (= T60), K296 (= K64), N317 (= N85), D334 (= D105), Y436 (= Y210), Q464 (= Q238), Q468 (≠ A242)

Sites not aligning to the query:

active site: 70, 125, 152

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
30% identity, 98% coverage: 3:246/248 of query aligns to 2:247/269 of Q5HNV1

query
sites
Q5HNV1

K

K

Y

F

G

A

L

V

I

I

G

G

Y

N

P

P

L

I

R

S

H

H

S
|
S

F
x
L

S
|
S

I

P

G

L

Y

M

F

H

N

H

E

A

K

N

F

F

R

Q

S

S

E

L

G

N

I

L

N

E

A

N

E

T

Y

Y

V

E

N

A

F

I

E

N

I

V

P

P

N

-

I

V

N

N

D

Q

F

F

M

Q

E

D

V

I

-

K

I

I

E

I

E

S

N

E

P

K

N

S

L

I

C

D

G

G

L

F

N

N

V

V

T
|
T

I

I

P

P

Y

H

K

K

E

E

Q

R

V

I

I

I

P

P

F

Y

L

L

N

D

E

D

L

I

D

N

R

E

D

Q

T

A

A

K

K

S

I

V

G

G

A

A

V

V

N
|
N

V

T

I

V

K

L

I

V

I

-

R

-

Q

-

P

-

K

-

G

K

K

D

V

G

K

K

L

W

V

I

G

G

Y

Y

N

N

S

T

D
|
D

I

G

I

I

G

G

F

Y

T

V

Q

N

S

G

I

L

Q

K

P

Q

L

I

L

Y

Q

E

P

G

-

I

Q

E

H

D

K

A

K

Y

A

I

L

L

I

I

L

L

G

G

T

A

G

G

A

A

S

S

K

K

A

G

V

I

Y

A

H

N

G

E

L

L

-

Y

-

K

-

I

-

V

-

R

K

P

N

T

L

L

G

T

I

V

E

A

S

N

V

R

F

T

V

M

S

S

R

R

T

F

H

N

K

N

T

W

D

S

D

L

M

N

L

I

T

N

Y

K

E

I

E

N

L

L

T

S

-

H

-

A

P

E

E

S

I

H

M

L

E

D

E

E

Y

F

T

D

V

I

I

I

V

I

N

N

C

T

T

T

P

P

V

A

G

G

M

M

Y

N

P

G

K

N

V

T

D

D

F

S

C

V

P

-

N

-

I

I

P

S

Y

L

E

N

L

R

L

L

T

A

P

S

N

H

H

T

L

L

L

V

Y

S

D

D

L

I

L

V

Y
|
Y

N

N

P

P

N

Y

V

K

T

T

L

P

F

I

M

L

K

I

K

E

G

A

E

E

A

Q

Q

R

G

G

A

N

V

P

T

I

K

Y

N

N

G

G

L

L

E

D

M

M

L

F

L

V

L

H

Q
|
Q

A

G

F

A

A

E

A

S

W

F

E

K

I

I

W

W

SLS 13:15 (≠ SFS 14:16) binding
T60 (= T60) binding
N85 (= N85) binding
D100 (= D105) binding
Y211 (= Y210) 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 (= Q238) binding

6bmqA Crystal structure of arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase (t381g mutant) in complex with tartrate and shikimate (see paper)
33% identity, 98% coverage: 4:246/248 of query aligns to 237:472/498 of 6bmqA

query
sites
6bmqA

Y

Y

G

G

L

I

I

I

G

G

Y

K

P

P

L

V

R

S

H

H

S
|
S

F

K

S
|
S

I

P

G

I

Y

V

F

H

N

N

E

Q

K

A

F

F

R

K

S

S

E

V

G

D

I

F

N

N

A

G

E

V

Y

Y

V

V

N

H

F

L

E

L

I

V

P

D

N

N

I

L

N

V

D

S

F

F

M

L

E

Q

V

A

I

Y

E

S

N

S

P

-

N

D

L

F

C

A

G

G

L

F

N

S

V
x
C

T

G

I

I

P

P

Y

H

K
|
K

E

E

Q

A

V

A

I

L

P

Q

F

C

L

C

N

D

E

E

L

V

D

D

R

P

D

L

T

A

A

K

K

S

I

I

G

G

A

A

V

V

N
|
N

V

T

I

I

K

-

I

L

I

R

R

R

Q

K

P

S

K

D

G

G

K

K

V

-

K

-

L

L

V

L

G

G

Y

Y

N

N

S

T

D
|
D

I

C

I

I

G

G

F

S

T

I

Q

S

S

A

I

I

Q

E

P

D

L

G

L

L

Q

T

P

-

Q

-

H

-

K

-

A

V

L

V

I

V

L

I

G

G

T

A

G

G

A

A

S

G

K

K

A

A

V

L

Y

A

H

Y

G

G

L

A

K

K

N

E

L

K

G

G

I

A

E

K

S

V

V

V

F

I

V

A

S

N

R

R

T

T

H

Y

K

E

T

R

D

E

D

L

M

A

L

E

T

A

Y

I

E

G

E

A

L

L

T

S

P

L

E

T

I

D

M

L

E

D

E

N

Y

Y

-

E

-

D

-

G

T

M

V

V

I

L

V

A

N

N

C

T

T

T

P

S

V

M

G

G

M

M

Y

Q

P

P

K

N

V

V

D

E

F

E

C

T

P

P

N

-

I

I

P

S

Y

K

E

D

L

A

L

L

T

K

P

H

N

Y

H

A

L

L

L

V

Y

F

D

D

L

A

L

V

Y
|
Y

N

T

P

P

N

R

V

I

T

T

L

R

F

L

M

L

K

R

K

E

G

A

E

E

A

E

Q

S

G

G

A

A

V

I

T

T

K

V

N

S

G

G

L

S

E

E

M

M

L

F

L

V

L

R

Q
|
Q

A

A

F

Y

A

E

A

Q

W

F

E

E

I

I

W

F

binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: S247 (= S14), S249 (= S16), C291 (≠ V59), K296 (= K64), N317 (= N85), D334 (= D105), Y436 (= Y210), Q464 (= Q238)

Sites not aligning to the query:

active site: 70, 125, 152

Q9SQT8 Bifunctional 3-dehydroquinate dehydratase/shikimate dehydrogenase, chloroplastic; DHQ-SDH protein; DHQase-SORase; Protein EMBRYO DEFECTIVE 3004; EC 4.2.1.10; EC 1.1.1.25 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
32% identity, 98% coverage: 4:246/248 of query aligns to 326:586/603 of Q9SQT8

query
sites
Q9SQT8

Y

Y

G

G

L

I

I

I

G

G

Y

K

P

P

L

V

R

S

H

H

S
|
S

F

K

S
|
S

I

P

G

I

Y

V

F

H

N

N

E

Q

K

A

F

F

R

K

S

S

E

V

G

D

I

F

N

N

A

G

E

V

Y

Y

V

V

N

H

F

L

E

L

I

V

P

D

N

N

I

L

N

V

D

S

F

F

M

L

E

Q

V

A

I

Y

E

S

N

S

P

-

N

D

L

F

C

A

G

G

L

F

N

S

V

C

T
|
T

I

I

P

P

Y

H

K
|
K

E

E

Q

A

V

A

I

L

P

Q

F

C

L

C

N

D

E

E

L

V

D

D

R

P

D

L

T

A

A

K

K

S

I

I

G

G

A

A

V

V

N
|
N

V

T

I

I

K

-

I

L

I

R

R

R

Q

K

P

S

K

D

G

G

K

K

V

-

K

-

L

L

V

L

G

G

Y

Y

N

N

S

T

D
|
D

I

C

I

I

G

G

F

S

T

I

Q

S

S

A

I

I

Q

E

P

D

L

G

L

L

Q

R

P

S

Q

S

H

G

-

D

-

P

-

S

-

V

-

P

-

S

-

P

-

L

-

A

-

S

K

K

K

T

A

V

L

V

I

V

L

I

G

G

T
x
A

G

G

G
|
G

A
|
A

S

G

K

K

A

A

V

L

Y

A

H

Y

G

G

L

A

K

K

N

E

L

K

G

G

I

A

E

K

S

V

V

V

F

I

V

A

S
x
N

R

R

T
|
T

H

Y

K

E

T
x
R

-

A

-

L

-

E

-

L

-

A

-

E

-

A

-

I

-

G

D

G

D

K

M

A

L

L

T

S

Y

L

E

T

E

D

L

L

T

D

P

N

E

Y

I

H

M

P

E

E

E

D

Y

G

T

M

V

V

I

L

V

A

N

N

C

T

T

T

P

S

V

M

G

G

M
|
M

Y

Q

P

P

K

N

V

V

D

E

F

E

C

T

P

P

N

-

I

I

P

S

Y

K

E

D

L

A

L

L

T

K

P

H

N

Y

H

A

L

L

L

V

Y

F

D

D

L
x
A

L

V

Y
|
Y

N

T

P

P

N

R

V

I

T

T

L

R

F

L

M

L

K

R

K

E

G

A

E

E

A

E

Q

S

G

G

A

A

V

I

T

T

K

V

N

S

G
|
G

L

S

E

E

M

M

L

F

L

V

L

R

Q
|
Q

A

A

F

Y

A

E

A
x
Q

W

F

E

E

I

I

W

F

S336 (= S14) binding ; mutation to A: 13-fold decrease in substrate affinity but almost no change in activity.
S338 (= S16) binding ; mutation to A: 10-fold decrease in activity, and 9-fold decrease in substrate affinity.
T381 (= T60) binding
K385 (= K64) binding ; mutation to A: Strongly reduced shikimate dehydrogenase activity, but minor change in substrate affinity.; mutation to N: Strongly reduced shikimate dehydrogenase activity, but no change in substrate affinity.
N406 (= N85) binding
D423 (= D105) binding ; mutation to A: Loss of shikimate dehydrogenase activity.; mutation to N: Reduced shikimate dehydrogenase activity, but no change in substrate affinity.
A461 (≠ T129) binding
G463 (= G131) binding
A464 (= A132) binding
N483 (≠ S151) binding
T485 (= T153) binding
R488 (≠ T156) binding
M525 (= M184) binding
A548 (≠ L208) binding
Y550 (= Y210) binding ; mutation Y->F,A: 100-fold decrease in activity, and 2-fold decrease in substrate affinity.
G571 (= G231) binding
Q578 (= Q238) binding
Q582 (≠ A242) binding

Sites not aligning to the query:

124 binding
126 binding
155 binding
241 binding
279 binding
300 binding
304 binding

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
29% identity, 98% coverage: 3:246/248 of query aligns to 2:238/258 of 3dooA

query
sites
3dooA

K

K

Y

F

G

A

L

V

I

I

G

G

Y

N

P

P

L

I

R

S

H

H

S
|
S

F

L

S
|
S

I

P

G

L

Y

M

F

H

N

H

E

A

K

N

F

F

R

Q

S

S

E

L

G

N

I

L

N

E

A

N

E

T

Y

Y

V

E

N

A

F

I

E

N

I

V

P

P

N

-

I

V

N

N

D

Q

F

F

M

Q

E

D

V

I

-

K

I

I

E

I

E

S

N

E

P

K

N

S

L

I

C

D

G

G

L

F

N
|
N

V

V

T
|
T

I

I

P

P

Y

H

K
|
K

E

E

Q

R

V

I

I

I

P

P

F

Y

L

L

N

D

E

D

L

I

D

N

R

E

D

Q

T

A

A

K

K

S

I

V

G

G

A

A

V

V

N
|
N

V

T

I

V

K

L

I

V

I

-

R

-

Q

-

P

-

K

-

G

K

K

D

V

G

K

K

L

W

V

I

G

G

Y

Y

N

N

S

T

D
|
D

I

G

I

I

G

G

F

Y

T

V

Q

N

S

G

I

L

Q

K

P

Q

L

I

L

Y

Q

E

P

G

-

I

Q

E

H

D

K

A

K

Y

A

I

L

L

I

I

L

L

G

G

T

A

G

G

A

A

S

S

K

K

A

G

V

I

Y

A

H

N

G

E

L

L

-

Y

-

K

-

I

-

V

-

R

K

P

N

T

L

L

G

T

I

V

E

A

S

N

V

R

F

T

V

M

S

S

R

R

T

F

H

N

K

N

T

W

D

S

D

L

M

N

L

I

T

N

Y

K

E

I

E

N

L

L

T

S

-

H

-

A

P

E

E

S

I

H

M

L

E

D

E

E

Y

F

T

D

V

I

I

I

V

I

N

N

C

T

T

T

P

P

V

V

G

-

M

-

Y

-

P

-

K

-

V

-

D

-

F

-

C

-

P

-

N

-

I

I

P

S

Y

L

E

N

L

R

L

L

T

A

P

S

N

H

H

T

L

L

L

V

Y

S

D

D

L

I

L

V

Y

Y

N

N

P

P

N

Y

V

K

T

T

L

P

F

I

M

L

K

I

K

E

G

A

E

E

A

Q

Q

R

G

G

A

N

V

P

T

I

K

Y

N

N

G

G

L

L

E

D

M

M

L
x
F

L

V

L

H

Q
|
Q

A

G

F

A

A

E

A

S

W

F

E

K

I

I

W

W

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (= S14), S15 (= S16), N58 (= N58), T60 (= T60), K64 (= K64), N85 (= N85), D100 (= D105), F227 (≠ L235), Q230 (= Q238)

2o7sA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
33% identity, 98% coverage: 4:246/248 of query aligns to 237:474/500 of 2o7sA

query
sites
2o7sA

Y

Y

G

G

L
x
I

I

I

G

G

Y

K

P

P

L

V

R

S

H

H

S
|
S

F

K

S
|
S

I

P

G

I

Y

V

F

H

N

N

E

Q

K

A

F

F

R

K

S

S

E

V

G

D

I

F

N

N

A

G

E

V

Y

Y

V

V

N

H

F

L

E

L

I

V

P

D

N

N

I

L

N

V

D

S

F

F

M

L

E

Q

V

A

I

Y

E

S

N

S

P

-

N

D

L

F

C

A

G

G

L

F

N

S

V

C

T
|
T

I
|
I

P
|
P

Y

H

K
|
K

E

E

Q

A

V

A

I

L

P

Q

F

C

L

C

N

D

E

E

L

V

D

D

R

P

D

L

T

A

A

K

K

S

I

I

G

G

A

A

V

V

N
|
N

V

T

I

I

K

-

I

L

I

R

R

R

Q

K

P

S

K

D

G

G

K

K

V

-

K

-

L

L

V

L

G

G

Y

Y

N

N

S

T

D
|
D

I

C

I

I

G

G

F

S

T

I

Q

S

S

A

I

I

Q

E

P

D

L

G

L

L

Q

T

P

-

Q

-

H

-

K

-

A

V

L

V

I

V

L

I

G

G

T

A

G
|
G

A
|
A

S

G

K

K

A

A

V

L

Y

A

H

Y

G

G

L

A

K

K

N

E

L

K

G

G

I

-

E

A

S

V

V

V

F

I

V

A

S
x
N

R
|
R

T
|
T

H

Y

K

E

T
x
R

-

A

-

L

-

E

-

L

-

A

-

E

-

A

-

I

D

G

M

A

L

L

T

S

Y

L

E

T

E

D

L

L

T

-

P

-

E

D

I

N

M

Y

E

E

E

D

Y

G

T

M

V

V

I

L

V

A

N

N

C

T

T
|
T

P
x
S

V
x
M

G

G

M

M

Y

Q

P

P

K

N

V

V

D

E

F

E

C

T

P

P

N

-

I

I

P

S

Y

K

E

D

L

A

L

L

T

K

P

H

N

Y

H

A

L

L

L

V

Y

F

D

D

L
x
A

L

V

Y
|
Y

N

T

P

P

N

R

V

I

T

T

L

R

F

L

M

L

K

R

K

E

G

A

E

E

A

E

Q

S

G

G

A

A

V

I

T

T

K

V

N

S

G

G

L

S

E

E

M
|
M

L
x
F

L

V

L

R

Q
|
Q

A

A

F

Y

A

E

A
x
Q

W

F

E

E

I

I

W

F

binding 3-dehydroshikimate: I239 (≠ L6), S247 (= S14), S249 (= S16), T292 (= T60), K296 (= K64), N317 (= N85), D334 (= D105), Y438 (= Y210), Q466 (= Q238), Q470 (≠ A242)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I293 (= I61), P294 (= P62), K296 (= K64), D334 (= D105), G354 (= G130), G355 (= G131), A356 (= A132), N374 (≠ S151), R375 (= R152), T376 (= T153), R379 (≠ T156), T409 (= T180), S410 (≠ P181), M411 (≠ V182), A436 (≠ L208), M462 (= M234), F463 (≠ L235)

Sites not aligning to the query:

active site: 70, 125, 152
binding 3-dehydroshikimate: 35, 152, 190, 202, 211, 212, 215

2o7qA Crystal structure of the a. Thaliana dhq-dehydroshikimate-sdh- shikimate-NADP(h)
32% identity, 98% coverage: 4:246/248 of query aligns to 237:475/501 of 2o7qA

query
sites
2o7qA

Y

Y

G

G

L
x
I

I

I

G

G

Y

K

P

P

L

V

R

S

H

H

S
|
S

F

K

S
|
S

I

P

G

I

Y

V

F

H

N

N

E

Q

K

A

F

F

R

K

S

S

E

V

G

D

I

F

N

N

A

G

E

V

Y

Y

V

V

N

H

F

L

E

L

I

V

P

D

N

N

I

L

N

V

D

S

F

F

M

L

E

Q

V

A

I

Y

E

S

N

S

P

-

N

D

L

F

C

A

G

G

L

F

N

S

V

C

T
|
T

I

I

P

P

Y

H

K
|
K

E

E

Q

A

V

A

I

L

P

Q

F

C

L

C

N

D

E

E

L

V

D

D

R

P

D

L

T

A

A

K

K

S

I

I

G

G

A

A

V

V

N

N

V

T

I

I

K

-

I

L

I

R

R

R

Q

K

P

S

K

D

G

G

K

K

V

-

K

-

L

L

V

L

G

G

Y

Y

N

N

S

T

D
|
D

I

C

I

I

G

G

F

S

T

I

Q

S

S

A

I

I

Q

E

P

D

L

G

L

L

Q

T

P

-

Q

-

H

-

K

-

A

V

L

V

I

V

L

I

G

G

T

A

G

G

A

A

S

G

K

K

A

A

V

L

Y

A

H

Y

G

G

L

A

K

K

N

E

L

K

G

A

I

-

E

K

S

V

V

V

F

I

V

A

S

N

R

R

T

T

H

Y

K

E

T

R

D

A

-

L

-

E

-

L

-

A

D

E

M

A

L

I

T

G

Y

G

E

K

E

A

L

L

T

S

P

L

E

T

I

D

M

L

E

D

E

N

Y

Y

-

E

-

D

-

G

T

M

V

V

I

L

V

A

N

N

C

T

T

T

P

S

V

M

G

G

M

M

Y

Q

P

P

K

N

V

V

D

E

F

E

C

T

P

P

N

-

I

I

P

S

Y

K

E

D

L

A

L

L

T

K

P

H

N

Y

H

A

L

L

L

V

Y

F

D

D

L

A

L

V

Y
|
Y

N

T

P

P

N

R

V

I

T

T

L

R

F

L

M

L

K

R

K

E

G

A

E

E

A

E

Q

S

G

G

A

A

V

I

T

T

K

V

N

S

G

G

L

S

E

E

M

M

L
x
F

L

V

L

R

Q
|
Q

A

A

F

Y

A

E

A
x
Q

W

F

E

E

I

I

W

F

binding 3-dehydroshikimate: I239 (≠ L6), S247 (= S14), S249 (= S16), T292 (= T60), K296 (= K64), D334 (= D105), Y439 (= Y210), F464 (≠ L235), Q467 (= Q238), Q471 (≠ A242)

Sites not aligning to the query:

active site: 70, 125, 152
binding 3-dehydroshikimate: 35, 152, 190, 202, 211, 212, 215

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
30% identity, 99% coverage: 2:246/248 of query aligns to 11:273/288 of 3tnlA

query
sites
3tnlA

E

E

K

L

Y

I

G

G

L

L

I

I

G

A

Y

T

P

P

L

I

R

R

H

H

S
|
S

F

L

S
|
S

I

P

G

T

Y

M

F

H

N

N

E

E

K

A

F

F

R

A

S

K

E

L

G

G

I

L

N

D

A

Y

E

V

Y

Y

V

L

N

A

F

F

E

E

I

V

P

G

N

D

I

-

N

K

D

E

F

L

M

K

E

D

V

V

I

V

E

Q

-

G

-

F

E

R

N

A

P

M

N

N

L

L

C

R

G

G

L

W

N
|
N

V

V

T
x
S

I
x
M

P

P

Y

N

K
|
K

E

T

Q

N

V

I

I

H

P

K

F

Y

L

L

N

D

E

K

L

L

D

S

R

P

D

A

T

A

A

E

K

L

I

V

G

G

A

A

V

V

N
|
N

V

T

I

V

K

-

I

-

R

-

Q

-

P

V

K

N

G

D

K

D

V

G

K

V

L

L

V

T

G

G

Y

H

N

I

S

T

D
|
D

I

G

I

T

G

G

F

Y

T

M

Q

R

S

A

I

L

Q

K

P

-

L

-

Q

E

P

A

Q

G

H

H

-

D

-

I

-

G

K

K

A

M

L

T

I

I

L

C

G
|
G

T
x
A

G
|
G

A
|
A

S

A

K

T

A

A

V

I

-

C

-

I

-

Q

-

A

Y

L

H

D

G

G

L

V

K

K

N

E

L

I

G

S

I

I

-

F

-
x
N

-
x
R

-

K

-
x
D

-

D

-
x
F

-

Y

-

A

-

N

-

A

E

E

S

K

V

T

F

V

V

E

S

K

R

I

T

N

H

S

K

K

T

T

D

D

-

C

-

K

-

A

-

Q

-

L

-

F

D

D

M

I

L

E

T

D

Y

H

E

E

E

Q

L

L

T

R

P

K

E

E

I

I

M

A

E

E

E

S

Y

-

T

V

V

I

I

F

V

T

N

N

C

A

T
|
T

P

G

V
|
V

G

G

M
|
M

Y

K

P

P

K
x
F

V

E

D

G

F

E

C

T

P

L

N

L

I

P

P

S

Y

A

E

D

L

M

L

L

T

R

P

P

N

E

H

L

L

I

L

V

Y

S

D

D

L
x
V

L

V

Y
|
Y

N

K

P

P

N

T

V

K

T

T

L

R

F

L

M

L

K

E

K

I

G

A

E

E

A

E

Q

Q

G

G

A

C

V

Q

T

T

K

L

N

N

G

G

L

L

E

G

M
|
M

L
x
M

L

L

L

W

Q
|
Q

A

G

F

A

A

K

A

A

W

F

E

E

I

I

W

W

binding nicotinamide-adenine-dinucleotide: M71 (≠ I61), G134 (= G128), A135 (≠ T129), G136 (= G130), G137 (= G131), A138 (= A132), N158 (vs. gap), R159 (vs. gap), D161 (vs. gap), F163 (vs. gap), T207 (= T180), V209 (= V182), M211 (= M184), F214 (≠ K187), V235 (≠ L208), Y237 (= Y210), M261 (= M234), M262 (≠ L235)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (= S14), S25 (= S16), N68 (= N58), S70 (≠ T60), K74 (= K64), N95 (= N85), D110 (= D105), Q265 (= Q238)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
30% identity, 99% coverage: 2:246/248 of query aligns to 14:276/291 of 3tozA

query
sites
3tozA

E

E

K

L

Y

I

G

G

L

L

I

I

G

A

Y

T

P

P

L

I

R

R

H

H

S

S

F

L

S

S

I

P

G

T

Y

M

F

H

N

N

E

E

K

A

F

F

R

A

S

K

E

L

G

G

I

L

N

D

A

Y

E

V

Y

Y

V

L

N

A

F

F

E

E

I

V

P

G

N

D

I

-

N

K

D

E

F

L

M

K

E

D

V

V

I

V

E

Q

-

G

-

F

E

R

N

A

P

M

N

N

L

L

C

R

G

G

L

W

N

N

V

V

T

S

I

M

P

P

Y

N

K

K

E

T

Q

N

V

I

I

H

P

K

F

Y

L

L

N

D

E

K

L

L

D

S

R

P

D

A

T

A

A

E

K

L

I

V

G

G

A

A

V

V

N

N

V

T

I

V

K

-

I

-

R

-

Q

-

P

V

K

N

G

D

K

D

V

G

K

V

L

L

V

T

G

G

Y

H

N

I

S

T

D

D

I

G

I

T

G

G

F

Y

T

M

Q

R

S

A

I

L

Q

K

P

-

L

-

Q

E

P

A

Q

G

H

H

-

D

-

I

-

G

K

K

A

M

L

T

I

I

L

C

G
|
G

T
x
A

G
|
G

A
|
A

S

A

K

T

A

A

V

I

-

C

-

I

-

Q

-

A

Y

L

H

D

G

G

L

V

K

K

N

E

L

I

G

S

I

I

-

F

-
x
N

-
x
R

-

K

-
x
D

-

D

-
x
F

-

Y

-

A

-

N

-

A

E

E

S

K

V

T

F

V

V

E

S

K

R

I

T

N

H

S

K

K

T

T

D

D

-

C

-

K

-

A

-

Q

-

L

-

F

D

D

M

I

L

E

T

D

Y

H

E

E

E

Q

L

L

T

R

P

K

E

E

I

I

M

A

E

E

E

S

Y

-

T

V

V

I

I

F

V

T

N

N

C

A

T
|
T

P
x
G

V
|
V

G

G

M
|
M

Y

K

P

P

K
x
F

V

E

D

G

F

E

C

T

P

L

N

L

I

P

P

S

Y

A

E

D

L

M

L

L

T

R

P

P

N

E

H

L

L

I

L

V

Y

S

D

D

L
x
V

L

V

Y
|
Y

N

K

P

P

N

T

V

K

T

T

L

R

F

L

M

L

K

E

K

I

G

A

E

E

A

E

Q

Q

G

G

A

C

V

Q

T

T

K

L

N

N

G
|
G

L

L

E

G

M
|
M

L
x
M

L

L

L

W

Q

Q

A

G

F

A

A

K

A

A

W

F

E

E

I

I

W

W

binding nicotinamide-adenine-dinucleotide: G137 (= G128), A138 (≠ T129), G139 (= G130), G140 (= G131), A141 (= A132), N161 (vs. gap), R162 (vs. gap), D164 (vs. gap), F166 (vs. gap), T210 (= T180), G211 (≠ P181), V212 (= V182), M214 (= M184), F217 (≠ K187), V238 (≠ L208), Y240 (= Y210), G261 (= G231), M264 (= M234), M265 (≠ L235)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
30% identity, 99% coverage: 2:246/248 of query aligns to 14:276/291 of Q8Y9N5

query
sites
Q8Y9N5

E

E

K

L

Y

I

G

G

L

L

I

I

G

A

Y

T

P

P

L

I

R

R

H

H

S
|
S

F
x
L

S
|
S

I

P

G

T

Y

M

F

H

N

N

E

E

K

A

F

F

R

A

S

K

E

L

G

G

I

L

N

D

A

Y

E

V

Y

Y

V

L

N

A

F

F

E

E

I

V

P

G

N

D

I

-

N

K

D

E

F

L

M

K

E

D

V

V

I

V

E

Q

-

G

-

F

E

R

N

A

P

M

N

N

L

L

C

R

G

G

L

W

N

N

V

V

T

S

I

M

P

P

Y

N

K

K

E

T

Q

N

V

I

I

H

P

K

F

Y

L

L

N

D

E

K

L

L

D

S

R

P

D

A

T

A

A

E

K

L

I

V

G

G

A

A

V

V

N

N

V

T

I

V

K

-

I

-

R

-

Q

-

P

V

K

N

G

D

K

D

V

G

K

V

L

L

V

T

G

G

Y

H

N

I

S

T

D

D

I

G

I

T

G

G

F

Y

T

M

Q

R

S

A

I

L

Q

K

P

-

L

-

Q

E

P

A

Q

G

H

H

-

D

-

I

-

G

K

K

A

M

L

T

I

I

L

C

G

G

T

A

G

G

A

A

S

A

K

T

A

A

V

I

-

C

-

I

-

Q

-

A

Y

L

H

D

G

G

L

V

K

K

N

E

L

I

G

S

I

I

-

F

-
x
N

-
x
R

-
x
K

-
x
D

-

D

-

F

-

Y

-

A

-

N

-

A

E

E

S

K

V

T

F

V

V

E

S

K

R

I

T

N

H

S

K

K

T

T

D

D

-

C

-

K

-

A

-

Q

-

L

-

F

D

D

M

I

L

E

T

D

Y

H

E

E

E

Q

L

L

T

R

P

K

E

E

I

I

M

A

E

E

E

S

Y

-

T

V

V

I

I

F

V

T

N

N

C

A

T

T

P

G

V

V

G

G

M
|
M

Y

K

P

P

K

F

V

E

D

G

F

E

C

T

P

L

N

L

I

P

P

S

Y

A

E

D

L

M

L

L

T

R

P

P

N

E

H

L

L

I

L

V

Y

S

D

D

L

V

Y

Y

N

K

P

P

N

T

V

K

T

T

L

R

F

L

M

L

K

E

K

I

G

A

E

E

A

E

Q

Q

G

G

A

C

V

Q

T

T

K

L

N

N

G

G

L

L

E

G

M

M

L

M

L

L

L

W

Q

Q

A

G

F

A

A

K

A

A

W

F

E

E

I

I

W

W

SLS 26:28 (≠ SFS 14:16) binding
NRKD 161:164 (vs. gap) binding
M214 (= M184) binding

1nytA Shikimate dehydrogenase aroe complexed with NADP+ (see paper)
30% identity, 100% coverage: 1:247/248 of query aligns to 1:253/271 of 1nytA

query
sites
1nytA

M

M

E

E

K

T

Y

Y

G

A

L

V

I

F

G

G

Y

N

P

P

L

I

R

A

H

H

S

S

F

K

S

S

I

P

G

-

Y

F

F

I

N

H

E

Q

K

Q

F

F

R

-

S

-

E

-

G

-

I

-

N

-

A

A

E

Q

Y

Q

V

L

N

N

F

I

E

E

I

H

P

P

-

Y

-

G

-

R

-

V

-

L

-

A

N

P

I

I

N

N

D

D

F

F

M

I

E

N

V

T

I

L

E

N

E

A

-

F

N

S

P

A

N

G

L

G

C

K

G

G

L

A

N

N

V

V

T

T

I

V

P

P

Y

F

K
|
K

E

E

Q

E

V

A

I

F

P

A

F

R

L

A

N

D

E

E

L

L

D

T

R

E

D

R

T

A

A

A

K

L

I

A

G

G

A

A

V

V

N

N

V

T

I

-

K

-

I

L

I

M

R

R

Q

L

P

E

K

D

G

G

K

-

V

-

K

R

L

L

V

L

G

G

Y

D

N

N

S

T

D
|
D

I

G

I

V

G

G

F

L

T

L

Q

S

S

D

I

L

Q

E

P

R

L

L

-

S

-

F

L

I

Q

R

P

P

Q

G

H

-

K

L

K

R

A

I

L

L

I

L

L

I

G

G

T

A

G
|
G

A
|
A

S

S

K

R

A

G

V

V

Y

L

H

L

G

P

L

L

K

L

N

S

L

L

G

D

I

C

E

A

S

V

V

T

F

I

V

T

S
x
N

R
|
R

T
|
T

H

V

K

S

T
x
R

D

A

D

E

M

E

L

L

-

A

-

K

-

L

-

F

-

A

-

H

-

T

-

G

T

S

Y

I

E

Q

E

A

L

L

T

S

P

M

E

D

I

E

M

L

E

E

-

G

-

H

E

E

Y

F

T

D

V

L

I

I

V

I

N

N

C

A

T
|
T

P
x
S

V
x
S

G

G

M

I

Y

S

P

G

K

D

V

I

D

-

F

-

C

-

P

P

N

A

I

I

P

P

Y

S

E

S

L

L

L

I

T

H

P

P

N

G

H

I

L

Y

L

C

Y

Y

D

D

L
x
M

L

F

Y

Y

N

Q

P

K

N

G

V

K

T

T

L

P

F

F

M

L

K

A

K

W

G

C

E

E

A

Q

Q

R

G

G

A

S

-

K

V

R

T

N

K

A

N

D

G
|
G

L

L

E

G

M
|
M

L
|
L

L

V

L

A

Q

Q

A

A

F

A

A

H

A

A

W

F

E

L

I

L

W

W

H

H

binding nadp nicotinamide-adenine-dinucleotide phosphate: K65 (= K64), D102 (= D105), G128 (= G130), G129 (= G131), A130 (= A132), N149 (≠ S151), R150 (= R152), T151 (= T153), R154 (≠ T156), T188 (= T180), S189 (≠ P181), S190 (≠ V182), M213 (≠ L208), G237 (= G231), M240 (= M234), L241 (= L235)

P15770 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Escherichia coli (strain K12) (see paper)
30% identity, 100% coverage: 1:247/248 of query aligns to 1:253/272 of P15770

query
sites
P15770

M

M

E

E

K

T

Y

Y

G

A

L

V

I

F

G

G

Y

N

P

P

L

I

R

A

H

H

S

S

F

K

S

S

I

P

G

-

Y

F

F

I

N

H

E

Q

K

Q

F

F

R

-

S

-

E

-

G

-

I

-

N

-

A

A

E

Q

Y

Q

V

L

N

N

F

I

E

E

I

H

P

P

-

Y

-

G

-

R

-

V

-

L

-

A

N

P

I

I

N

N

D

D

F

F

M

I

E

N

V

T

I

L

E

N

E

A

-

F

N

S

P

A

N

G

L

G

C

K

G

G

L

A

N

N

V

V

T

T

I

V

P

P

Y

F

K

K

E

E

Q

E

V

A

I

F

P

A

F

R

L

A

N

D

E

E

L

L

D

T

R

E

D

R

T

A

A

A

K

L

I

A

G

G

A

A

V

V

N

N

V

T

I

-

K

-

I

L

I

M

R

R

Q

L

P

E

K

D

G

G

K

-

V

-

K

R

L

L

V

L

G

G

Y

D

N

N

S

T

D

D

I

G

I

V

G

G

F

L

T

L

Q

S

S

D

I

L

Q

E

P

R

L

L

-

S

-

F

L

I

Q

R

P

P

Q

G

H

-

K

L

K

R

A

I

L

L

I

L

L

I

G
|
G

T
x
A

G
|
G

A
|
A

S

S

K

R

A

G

V

V

Y

L

H

L

G

P

L

L

K

L

N

S

L

L

G

D

I

C

E

A

S

V

V

T

F

I

V

T

S
x
N

R
|
R

T
|
T

H
x
V

K
x
S

T
x
R

D

A

D

E

M

E

L

L

-

A

-

K

-

L

-

F

-

A

-

H

-

T

-

G

T

S

Y

I

E

Q

E

A

L

L

T

S

P

M

E

D

I

E

M

L

E

E

-

G

-

H

E

E

Y

F

T

D

V

L

I

I

V

I

N

N

C

A

T

T

P

S

V

S

G

G

M

I

Y

S

P

G

K

D

V

I

D

-

F

-

C

-

P

P

N

A

I

I

P

P

Y

S

E

S

L

L

L

I

T

H

P

P

N

G

H

I

L

Y

L

C

Y

Y

D

D

L
x
M

L

F

Y

Y

N

Q

P

K

N

G

V

K

T

T

L

P

F

F

M

L

K

A

K

W

G

C

E

E

A

Q

Q

R

G

G

A

S

-

K

V

R

T

N

K

A

N

D

G
|
G

L

L

E

G

M

M

L

L

L

V

L

A

Q

Q

A

A

F

A

A

H

A

A

W

F

E

L

I

L

W

W

H

H

GAGGA 126:130 (≠ GTGGA 128:132) binding
NRTVSR 149:154 (≠ SRTHKT 151:156) binding
M213 (≠ L208) binding
G237 (= G231) binding

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
29% identity, 99% coverage: 1:246/248 of query aligns to 1:243/262 of 2cy0A

query
sites
2cy0A

M

M

E

L

K

R

Y

F

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active site: K64 (= K64), D100 (= D105)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (= G128), G126 (= G131), A127 (= A132), N146 (≠ S151), R147 (= R152), T148 (= T153), R151 (≠ T156), T179 (= T180), R180 (≠ P181), V181 (= V182), L205 (= L208), L232 (= L235)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
29% identity, 99% coverage: 1:246/248 of query aligns to 1:243/263 of 2ev9B

query
sites
2ev9B

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active site: K64 (= K64), D100 (= D105)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S14 (= S14), S16 (= S16), N58 (= N58), T60 (= T60), K64 (= K64), N85 (= N85), D100 (= D105), Q235 (= Q238)

Query Sequence

>353741 FitnessBrowser__Btheta:353741
MEKYGLIGYPLRHSFSIGYFNEKFRSEGINAEYVNFEIPNINDFMEVIEENPNLCGLNVT
IPYKEQVIPFLNELDRDTAKIGAVNVIKIIRQPKGKVKLVGYNSDIIGFTQSIQPLLQPQ
HKKALILGTGGASKAVYHGLKNLGIESVFVSRTHKTDDMLTYEELTPEIMEEYTVIVNCT
PVGMYPKVDFCPNIPYELLTPNHLLYDLLYNPNVTLFMKKGEAQGAVTKNGLEMLLLQAF
AAWEIWHR

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