SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011781964.1 NCBI__GCF_000015305.1:WP_011781964.1 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)

P44774 Shikimate dehydrogenase-like protein HI_0607; SDH-L; EC 1.1.1.25 from Haemophilus influenzae (strain ATCC 51907 / DSM 11121 / KW20 / Rd) (see paper)
58% identity, 98% coverage: 6:272/273 of query aligns to 2:268/271 of P44774

query
sites
P44774

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K67 (= K71) mutation K->A,H,N: Loss of activity.
D103 (= D107) mutation D->A,N: Loss of activity.

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
30% identity, 89% coverage: 27:268/273 of query aligns to 24:263/269 of 2hk9A

query
sites
2hk9A

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binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ M68), G132 (= G132), G133 (= G133), A134 (≠ M134), N153 (≠ A154), R154 (= R155), T155 (≠ N156), T188 (= T187), S189 (≠ P188), V190 (≠ I189)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: N64 (≠ S65), K70 (= K71), N91 (= N92), D106 (= D107), Y216 (≠ A218), L239 (≠ I243), Q242 (= Q246)

Sites not aligning to the query:

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 19, 21

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
30% identity, 89% coverage: 27:268/273 of query aligns to 24:263/267 of 2hk9B

query
sites
2hk9B

F

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binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ M68), G130 (= G130), G133 (= G133), A134 (≠ M134), N153 (≠ A154), R154 (= R155), T155 (≠ N156), K158 (≠ S159), T188 (= T187), S189 (≠ P188), V190 (≠ I189), I214 (≠ V216), M238 (≠ V242), L239 (≠ I243)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: N64 (≠ S65), T66 (≠ S67), K70 (= K71), N91 (= N92), D106 (= D107), Y216 (≠ A218), L239 (≠ I243), Q242 (= Q246)

Sites not aligning to the query:

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 19, 21

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
30% identity, 89% coverage: 27:268/273 of query aligns to 24:263/269 of O67049

query
sites
O67049

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D82 (≠ A83) binding NADP(+)
N91 (= N92) binding shikimate
D106 (= D107) binding shikimate
GAGGA 130:134 (≠ GSGGM 130:134) binding NADP(+)
I214 (≠ V216) binding NADP(+)
Y216 (≠ A218) binding shikimate
G235 (= G239) binding NADP(+)
Q242 (= Q246) binding shikimate

Sites not aligning to the query:

19:21 binding shikimate

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
32% identity, 85% coverage: 26:256/273 of query aligns to 18:266/280 of 1o9bA

query
sites
1o9bA

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R
|
R

N

R

P

D

E

E

-
x
F

-

F

-

D

S

K

G

A

H

L

A

A

L

F

A

A

D

Q

R

R

L

V

G

N

-

E

-

N

-

T

-

D

-

C

-

V

-

T

Y

V

T

T

Y

D

V

L

A

A

D

D

V

Q

-

Q

-

A

-

F

-

A

-

E

G

A

T

L

V

A

T

S

A

A

P

D

I

I

I

L

V

T

N

N

V

G

T

T

P
x
K

I
x
V

G

G

M
|
M

A

K

G

-

A

P

P

L

E

E

Q

N

R

E

E

S

L

L

A

V

F

N

G

D

A

I

A

S

A

L

I

L

A

H

A

P

A

G

D

L

T

L

V

V

F

T

D

E

V
x
C

V

V

A
x
Y

L

N

P

P

S

H

E

M

T

T

P

K

L

L

I

L

K

Q

A

Q

A

A

R

Q

A

Q

A

A

G

G

A

C

Q

K

V

T

I

I

T

D

G

G

A

Y

Q

G

V
x
M

I
x
L

A

L

L

W

Q

Q

A

G

A

A

E

E

Q

Q

F

F

E

T

R

L

Y

W

T

T

G

G

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (≠ S131), G127 (= G132), G128 (= G133), A129 (≠ M134), R150 (= R155), F154 (vs. gap), K199 (≠ P188), V200 (≠ I189), M202 (= M191), C226 (≠ V216), Y228 (≠ A218), M252 (≠ V242), L253 (≠ I243)

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
32% identity, 85% coverage: 26:256/273 of query aligns to 24:272/288 of 1npdB

query
sites
1npdB

R

E

F

M

H

Q

N

N

H

K

L

A

Y

L

E

E

V

K

L

A

G

G

L

L

D

P

F

F

I

T

Y

Y

K

M

A

A

F

F

T

E

T

V

T

D

D

N

-

D

-

S

I

F

V

P

A

G

A

A

I

I

G

E

G

G

V

L

R

K

A

A

L

L

G

K

I

M

R

R

G

G

C

T

S

G

V

V

S

S

M

M

P

P

F

N

K

K

E

Q

D

L

V

A

L

C

H

E

L

Y

V

V

D

D

H

E

V

L

E

T

A

P

S

A

A

A

Q

K

A

L

I

V

E

G

S

A

V

I

N

N

T

T

I

I

V

V

N

N

D

D

G

G

R

Y

L

L

T

R

A

G

S

Y

N

N

T

T

D

D

Y

G

L

T

A

G

V

H

Q

I

Q

R

L

A

I

I

G

K

E

E

H

S

G

G

L

F

D

D

P

I

E

K

-

G

D

K

T

T

V

M

M

V

I

L

R

L

G

G

S
x
A

G
|
G

M
x
A

A

S

K

T

A

A

V

I

G

G

A

A

A

Q

F

G

A

A

G

I

A

E

G

G

F

L

R

K

T

E

G

I

F

K

V

L

V

F

A
x
N

R
|
R

N

R

P
x
D

E

E

-
x
F

-

F

-

D

S

K

G

A

H

L

A

A

L

F

A

A

D

Q

R

R

L

V

G

N

-

E

-

N

-

T

-

D

-

C

-

V

-

T

Y

V

T

T

Y

D

V

L

A

A

D

D

V

Q

-

Q

-

A

-

F

-

A

-

E

G

A

T

L

V

A

T

S

A

A

P

D

I

I

I

L

V

T

N

N

V

G

T
|
T

P
x
K

I
x
V

G

G

M
|
M

A

K

G

-

A

P

P

L

E

E

Q

N

R

E

E

S

L

L

A

V

F

N

G

D

A

I

A

S

A

L

I

L

A

H

A

P

A

G

D

L

T

L

V

V

F

T

D

E

V
x
C

V

V

A

Y

L

N

P

P

S

H

E

M

T

T

P

K

L

L

I

L

K

Q

A

Q

A

A

R

Q

A

Q

A

A

G

G

A

C

Q

K

V

T

I

I

T

D

G

G

A

Y

Q

G

V
x
M

I
x
L

A

L

L

W

Q

Q

A

G

A

A

E

E

Q

Q

F

F

E

T

R

L

Y

W

T

T

G

G

binding nicotinamide-adenine-dinucleotide: A132 (≠ S131), G133 (= G132), G134 (= G133), A135 (≠ M134), N155 (≠ A154), R156 (= R155), D158 (≠ P157), F160 (vs. gap), T204 (= T187), K205 (≠ P188), V206 (≠ I189), M208 (= M191), C232 (≠ V216), M258 (≠ V242), L259 (≠ I243)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
32% identity, 85% coverage: 26:256/273 of query aligns to 24:272/288 of P0A6D5

query
sites
P0A6D5

R

E

F

M

H

Q

N

N

H

K

L

A

Y

L

E

E

V

K

L

A

G

G

L

L

D

P

F

F

I

T

Y
|
Y

K

M

A

A

F

F

T

E

T

V

T

D

D

N

-

D

-

S

I

F

V

P

A

G

A

A

I

I

G

E

G

G

V

L

R

K

A

A

L

L

G

K

I

M

R

R

G

G

C

T

S

G

V

V

S
|
S

M

M

P

P

F

N

K
|
K

E

Q

D

L

V

A

L

C

H

E

L

Y

V

V

D

D

H

E

V

L

E

T

A

P

S

A

A

A

Q

K

A

L

I

V

E

G

S

A

V

I

N
|
N

T

T

I

I

V

V

N

N

D

D

G

G

R

Y

L

L

T

R

A

G

S

Y

N

N

T
|
T

D
|
D

Y

G

L

T

A

G

V

H

Q

I

Q

R

L

A

I

I

G

K

E

E

H

S

G

G

L

F

D

D

P

I

E

K

-

G

D

K

T

T

V

M

M

V

I

L

R

L

G

G

S
x
A

G
|
G

M
x
A

A

S

K

T

A

A

V

I

G

G

A

A

A

Q

F

G

A

A

G

I

A

E

G

G

F

L

R

K

T

E

G

I

F

K

V

L

V

F

A
x
N

R
|
R

N
x
R

P
x
D

E

E

-

F

-

D

S

K

G

A

H

L

A

A

L

F

A

A

D

Q

R

R

L

V

G

N

-

E

-

N

-

T

-

D

-

C

-

V

-

T

Y

V

T

T

Y

D

V

L

A

A

D

D

V

Q

-

Q

-

A

-

F

-

A

-

E

G

A

T

L

V

A

T

S

A

A

P

D

I

I

I

L

V

T

N

N

V

G

T

T

P
x
K

I

V

G

G

M

M

A

K

G

-

A

P

P

L

E

E

Q

N

R

E

E

S

L

L

A

V

F

N

G

D

A

I

A

S

A

L

I

L

A

H

A

P

A

G

D

L

T

L

V

V

F

T

D

E

V
x
C

V
|
V

A
x
Y

L
x
N

P

P

S

H

E

M

T

T

P

K

L

L

I

L

K

Q

A

Q

A

A

R

Q

A

Q

A

A

G

G

A

C

Q

K

V

T

I

I

T

D

G
|
G

A

Y

Q

G

V

M

I

L

A

L

L

W

Q
|
Q

A

G

A

A

E

E

Q

Q

F

F

E

T

R

L

Y

W

T

T

G

G

Y39 (= Y41) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (= S67) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K71) mutation to A: 3200-fold decrease in the affinity for quinate. 170-fold decrease in the affinity for shikimate.; mutation to G: 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
N92 (= N92) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (= T106) mutation to A: 2000-fold decrease in the affinity for quinate. 70-fold decrease in the affinity for shikimate. 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
D107 (= D107) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (≠ SGGM 131:134) binding NAD(+)
NRRD 155:158 (≠ ARNP 154:157) binding NAD(+)
K205 (≠ P188) binding NAD(+)
CVYN 232:235 (≠ VVAL 216:219) binding NAD(+)
G255 (= G239) binding NAD(+)
Q262 (= Q246) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
22 S→A: Kinetically unchanged as compared with the wild-type.

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
29% identity, 93% coverage: 13:267/273 of query aligns to 13:280/287 of 1nvtB

query
sites
1nvtB

C

V

I

I

S

G

L

L

A

I

G

G

R

H

P

P

-

V

-
x
E

S
x
H

N

S

I

F

G

S

T

P

R

I

F

M

H

H

N

N

H

A

L

A

Y

F

E

K

V

D

L

K

G

G

L

L

D

N

F

Y

I

V

Y

Y

K

V

A

A

F

F

T

D

T

V

-

L

-

P

T

E

D

N

I

L

V

K

A

Y

A

V

I

I

G

D

G

G

V

A

R

K

A

A

L

L

G

G

I

I

R

V

G

G

C

F

S

N

V

V

S

T

M
x
I

P

P

F

H

K
|
K

E

I

D

E

V

I

L

M

H

K

L

Y

V

L

D

D

H

E

V

I

E

D

A

K

S

D

A

A

Q

Q

A

L

I

I

E

G

S

A

V

V

N

N

T

T

I

I

V

K

N

I

D

E

D

D

G

G

R

K

L

A

T

I

A

G

S

Y

N

N

T

T

D
|
D

Y

G

L

I

A

G

V

A

Q

R

Q

M

L

A

I

L

G

E

E

E

H

E

-

I

G

G

L

R

D

V

P

K

E

D

D

K

T

N

V

I

M

V

I

I

R

Y

G
|
G

S

A

G

-

M
x
G

A
x
G

K
x
A

A

A

V

R

G

A

A

V

A

A

F

F

A

E

G

L

A

A

G

K

F

D

R

N

T

N

G

I

F

I

V

I

V

A

A
x
N

R
|
R

N
x
T

P

V

E

E

S
x
K

G

A

H

E

A

A

L

L

-

A

-

K

-

E

-

I

A

A

D

E

R

K

L

L

G

N

Y

K

T

K

Y

F

V

G

A

E

-

E

-

V

-

K

-

F

-

S

-

G

-

L

D

D

V

V

G

D

T

L

V

D

T

G

A

V

P

D

I

I

V

I

N

N

V
x
A

T
|
T

P
|
P

I
|
I

G

G

M
|
M

A

Y

G

P

A

N

P

I

E

D

Q

V

R

E

E

P

L

I

A

V

F

-

G

K

A

A

A

E

A

K

I

L

A

R

A

E

A

D

D

M

T

V

V

V

F

M

D

D

V
x
L

V

I

A
x
Y

L

N

P

P

S

L

E

E

T

T

P

V

L

L

I

L

K

K

A

E

A

A

R

K

A

K

A

V

G

N

A

A

Q

K

V

T

I

I

T

N

G

G

A

L

Q

G

V
x
M

I
x
L

A

I

L

Y

Q

Q

A

G

A

A

E

V

Q

A

F

F

E

K

R

I

Y

W

T

T

G

G

V

V

R

E

P

P

T

N

P

I

E

E

Q

V

I

M

A

K

E

N

A

A

active site: K75 (= K71), D111 (= D107)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ M68), G135 (= G130), G137 (≠ M134), G138 (≠ A135), A139 (≠ K136), N157 (≠ A154), R158 (= R155), T159 (≠ N156), K162 (≠ S159), A200 (≠ V186), T201 (= T187), P202 (= P188), I203 (= I189), M205 (= M191), L229 (≠ V216), Y231 (≠ A218), M255 (≠ V242), L256 (≠ I243)
binding zinc ion: E22 (vs. gap), H23 (≠ S21)

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
29% identity, 93% coverage: 13:267/273 of query aligns to 13:280/287 of 1nvtA

query
sites
1nvtA

C

V

I

I

S

G

L

L

A

I

G

G

R

H

P

P

-

V

-

E

S

H

N

S

I

F

G

S

T

P

R

I

F

M

H

H

N

N

H

A

L

A

Y

F

E

K

V

D

L

K

G

G

L

L

D

N

F

Y

I

V

Y

Y

K

V

A

A

F

F

T

D

T

V

-

L

-

P

T

E

D

N

I

L

V

K

A

Y

A

V

I

I

G

D

G

G

V

A

R

K

A

A

L

L

G

G

I

I

R

V

G

G

C

F

S

N

V

V

S

T

M

I

P

P

F

H

K
|
K

E

I

D

E

V

I

L

M

H

K

L

Y

V

L

D

D

H

E

V

I

E

D

A

K

S

D

A

A

Q

Q

A

L

I

I

E

G

S

A

V

V

N

N

T

T

I

I

V

K

N

I

D

E

D

D

G

G

R

K

L

A

T

I

A

G

S

Y

N

N

T

T

D
|
D

Y

G

L

I

A

G

V

A

Q

R

Q

M

L

A

I

L

G

E

E

E

H

E

-

I

G

G

L

R

D

V

P

K

E

D

D

K

T

N

V

I

M

V

I

I

R

Y

G
|
G

S

A

G

-

M

G

A

G

K
x
A

A

A

V

R

G

A

A

V

A

A

F

F

A

E

G

L

A

A

G

K

F

D

R

N

T

N

G

I

F

I

V

I

V

A

A
x
N

R
|
R

N
x
T

P

V

E

E

S
x
K

G

A

H

E

A

A

L

L

-

A

-

K

-

E

-

I

A

A

D

E

R

K

L

L

G

N

Y

K

T

K

Y

F

V

G

A

E

-

E

-

V

-

K

-

F

-

S

-

G

-

L

D

D

V

V

G

D

T

L

V

D

T

G

A

V

P

D

I

I

V

I

N

N

V
x
A

T
|
T

P
|
P

I
|
I

G

G

M
|
M

A

Y

G

P

A

N

P

I

E

D

Q

V

R

E

E

P

L

I

A

V

F

-

G

K

A

A

A

E

A

K

I

L

A

R

A

E

A

D

D

M

T

V

V

V

F

M

D

D

V
x
L

V

I

A
x
Y

L

N

P

P

S

L

E

E

T

T

P

V

L

L

I

L

K

K

A

E

A

A

R

K

A

K

A

V

G

N

A

A

Q

K

V

T

I

I

T

N

G
|
G

A

L

Q

G

V
x
M

I
x
L

A

I

L

Y

Q

Q

A

G

A

A

E

V

Q

A

F

F

E

K

R

I

Y

W

T

T

G

G

V

V

R

E

P

P

T

N

P

I

E

E

Q

V

I

M

A

K

E

N

A

A

active site: K75 (= K71), D111 (= D107)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G130), A139 (≠ K136), N157 (≠ A154), R158 (= R155), T159 (≠ N156), K162 (≠ S159), A200 (≠ V186), T201 (= T187), P202 (= P188), I203 (= I189), M205 (= M191), L229 (≠ V216), Y231 (≠ A218), G252 (= G239), M255 (≠ V242), L256 (≠ I243)

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)
29% identity, 93% coverage: 13:267/273 of query aligns to 8:275/282 of Q58484

query
sites
Q58484

C

V

I

I

S

G

L

L

A

I

G

G

R

H

P

P

-

V

-

E

S

H

N

S

I

F

G

S

T

P

R

I

F

M

H

H

N

N

H

A

L

A

Y

F

E

K

V

D

L

K

G

G

L

L

D

N

F

Y

I

V

Y

Y

K

V

A

A

F

F

T

D

T

V

-

L

-

P

T

E

D

N

I

L

V

K

A

Y

A

V

I

I

G

D

G

G

V

A

R

K

A

A

L

L

G

G

I

I

R

V

G

G

C

F

S

N

V

V

S

T

M

I

P

P

F

H

K

K

E

I

D

E

V

I

L

M

H

K

L

Y

V

L

D

D

H

E

V

I

E

D

A

K

S

D

A

A

Q

Q

A

L

I

I

E

G

S

A

V

V

N

N

T

T

I

I

V

K

N

I

D

E

D

D

G

G

R

K

L

A

T

I

A

G

S

Y

N

N

T

T

D

D

Y

G

L

I

A

G

V

A

Q

R

Q

M

L

A

I

L

G

E

E

E

H

E

-

I

G

G

L

R

D

V

P

K

E

D

D

K

T

N

V

I

M

V

I

I

R

Y

G
|
G

S
x
A

G

-

M
x
G

A
x
G

K
x
A

A

A

V

R

G

A

A

V

A

A

F

F

A

E

G

L

A

A

G

K

F

D

R

N

T

N

G

I

F

I

V

I

V

A

A
x
N

R
|
R

N
x
T

P
x
V

E
|
E

S
x
K

G

A

H

E

A

A

L

L

-

A

-

K

-

E

-

I

A

A

D

E

R

K

L

L

G

N

Y

K

T

K

Y

F

V

G

A

E

-

E

-

V

-

K

-

F

-

S

-

G

-

L

D

D

V

V

G

D

T

L

V

D

T

G

A

V

P

D

I

I

V

I

N

N

V

A

T
|
T

P

P

I

I

G

G

M
|
M

A

Y

G

P

A

N

P

I

E

D

Q

V

R

E

E

P

L

I

A

V

F

-

G

K

A

A

A

E

A

K

I

L

A

R

A

E

A

D

D

M

T

V

V

V

F

M

D

D

V
x
L

V

I

A

Y

L

N

P

P

S

L

E

E

T

T

P

V

L

L

I

L

K

K

A

E

A

A

R

K

A

K

A

V

G

N

A

A

Q

K

V

T

I

I

T

N

G

G

A

L

Q

G

V

M

I

L

A

I

L

Y

Q

Q

A

G

A

A

E

V

Q

A

F

F

E

K

R

I

Y

W

T

T

G

G

V

V

R

E

P

P

T

N

P

I

E

E

Q

V

I

M

A

K

E

N

A

A

GA--GGA 130:134 (≠ GSGGMAK 130:136) binding NADP(+)
NRTVEK 152:157 (≠ ARNPES 154:159) binding NADP(+)
T196 (= T187) binding NADP(+)
M200 (= M191) binding NADP(+)
L224 (≠ V216) binding NADP(+)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
29% identity, 84% coverage: 27:255/273 of query aligns to 28:274/288 of 3tnlA

query
sites
3tnlA

F

M

H

H

N

N

H

E

L

A

Y

F

E

A

V

K

L

L

G

G

L

L

D

D

F

Y

I

V

Y

Y

K

L

A

A

F

F

T

E

T

V

T

G

D

D

-

K

-

E

I

L

V

K

A

D

A

V

I

V

G

Q

G

G

V

F

R

R

A

A

L

M

G

N

I

L

R

R

G

G

C

W

S
x
N

V

V

S
|
S

M
|
M

P

P

F

N

K
|
K

E

T

D

N

V

I

L

H

H

K

L

Y

V

L

D

D

H

K

V

L

E

S

A

P

S

A

A

A

Q

E

A

L

I

V

E

G

S

A

V

V

N
|
N

T

T

I

V

V

V

N

N

D

D

G

G

R

V

L

L

T

T

A

G

S

H

N

I

T

T

D
|
D

Y

G

L

T

A

G

V

Y

Q

M

Q

R

L

A

I

L

G

K

E

E

H

A

G

G

L

H

D

D

P

I

E

I

D

G

T

K

V

K

M

M

-

T

I

I

R

C

G
|
G

S
x
A

G
|
G

M
x
A

A

A

K

T

A

A

V

I

G

C

A

I

A

Q

F

A

A

A

G

L

A

D

G

G

F

V

R

K

T

E

G

I

F

S

V

I

V

F

A
x
N

R
|
R

N

K

P

-

E
x
D

S

D

G
x
F

H

Y

A

A

L

N

A

A

D

E

R

K

L

T

G

-

Y

-

T

-

Y

-

V

V

A

E

D

K

V

I

G

N

T

S

V

K

T

T

-

D

-

C

-

K

-

A

-

Q

-

L

-

F

-

D

-

I

-

E

-

D

-

H

-

E

-

Q

-

L

-

R

-

K

-

E

-

I

-

A

-

E

A

S

P

V

I

I

I

F

V

T

N

N

V

A

T
|
T

P

G

I
x
V

G

G

M
|
M

A

-

G

-

A

K

P

P

E
x
F

Q

E

R

G

E

E

L

T

A

L

F

L

G

P

A

S

A

A

A

D

I

M

A

L

A

R

A

P

D

E

T

L

V

I

F

V

-

S

D

D

V
|
V

V

V

A
x
Y

L

K

P

P

S

T

E

K

T

T

P

R

L

L

I

L

K

E

A

I

A

A

R

E

A

E

A

Q

G

G

A

C

Q

Q

V

T

I

L

T

N

G

G

A

L

Q

G

V
x
M

I
x
M

A

L

L

W

Q
|
Q

A

G

A

A

E

K

Q

A

F

F

E

E

R

I

Y

W

T

T

binding nicotinamide-adenine-dinucleotide: M71 (= M68), G134 (= G130), A135 (≠ S131), G136 (= G132), G137 (= G133), A138 (≠ M134), N158 (≠ A154), R159 (= R155), D161 (≠ E158), F163 (≠ G160), T207 (= T187), V209 (≠ I189), M211 (= M191), F214 (≠ E196), V235 (= V216), Y237 (≠ A218), M261 (≠ V242), M262 (≠ I243)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: N68 (≠ S65), S70 (= S67), K74 (= K71), N95 (= N92), D110 (= D107), Q265 (= Q246)

Sites not aligning to the query:

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 23, 25

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
29% identity, 84% coverage: 27:255/273 of query aligns to 31:277/291 of 3tozA

query
sites
3tozA

F

M

H

H

N

N

H

E

L

A

Y

F

E

A

V

K

L

L

G

G

L

L

D

D

F

Y

I

V

Y

Y

K

L

A

A

F

F

T

E

T

V

T

G

D

D

-

K

-

E

I

L

V

K

A

D

A

V

I

V

G

Q

G

G

V

F

R

R

A

A

L

M

G

N

I

L

R

R

G

G

C

W

S

N

V

V

S

S

M

M

P

P

F

N

K

K

E

T

D

N

V

I

L

H

H

K

L

Y

V

L

D

D

H

K

V

L

E

S

A

P

S

A

A

A

Q

E

A

L

I

V

E

G

S

A

V

V

N

N

T

T

I

V

V

V

N

N

D

D

G

G

R

V

L

L

T

T

A

G

S

H

N

I

T

T

D

D

Y

G

L

T

A

G

V

Y

Q

M

Q

R

L

A

I

L

G

K

E

E

H

A

G

G

L

H

D

D

P

I

E

I

D

G

T

K

V

K

M

M

-

T

I

I

R

C

G
|
G

S
x
A

G
|
G

M
x
A

A

A

K

T

A

A

V

I

G

C

A

I

A

Q

F

A

A

A

G

L

A

D

G

G

F

V

R

K

T

E

G

I

F

S

V

I

V

F

A
x
N

R
|
R

N

K

P

-

E
x
D

S

D

G
x
F

H

Y

A

A

L

N

A

A

D

E

R

K

L

T

G

-

Y

-

T

-

Y

-

V

V

A

E

D

K

V

I

G

N

T

S

V

K

T

T

-

D

-

C

-

K

-

A

-

Q

-

L

-

F

-

D

-

I

-

E

-

D

-

H

-

E

-

Q

-

L

-

R

-

K

-

E

-

I

-

A

-

E

A

S

P

V

I

I

I

F

V

T

N

N

V

A

T
|
T

P
x
G

I
x
V

G

G

M
|
M

A

-

G

-

A

K

P

P

E
x
F

Q

E

R

G

E

E

L

T

A

L

F

L

G

P

A

S

A

A

A

D

I

M

A

L

A

R

A

P

D

E

T

L

V

I

F

V

-

S

D

D

V
|
V

V

V

A
x
Y

L

K

P

P

S

T

E

K

T

T

P

R

L

L

I

L

K

E

A

I

A

A

R

E

A

E

A

Q

G

G

A

C

Q

Q

V

T

I

L

T

N

G
|
G

A

L

Q

G

V
x
M

I
x
M

A

L

L

W

Q

Q

A

G

A

A

E

K

Q

A

F

F

E

E

R

I

Y

W

T

T

binding nicotinamide-adenine-dinucleotide: G137 (= G130), A138 (≠ S131), G139 (= G132), G140 (= G133), A141 (≠ M134), N161 (≠ A154), R162 (= R155), D164 (≠ E158), F166 (≠ G160), T210 (= T187), G211 (≠ P188), V212 (≠ I189), M214 (= M191), F217 (≠ E196), V238 (= V216), Y240 (≠ A218), G261 (= G239), M264 (≠ V242), M265 (≠ I243)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
29% identity, 84% coverage: 27:255/273 of query aligns to 31:277/291 of Q8Y9N5

query
sites
Q8Y9N5

F

M

H

H

N

N

H

E

L

A

Y

F

E

A

V

K

L

L

G

G

L

L

D

D

F

Y

I

V

Y

Y

K

L

A

A

F

F

T

E

T

V

T

G

D

D

-

K

-

E

I

L

V

K

A

D

A

V

I

V

G

Q

G

G

V

F

R

R

A

A

L

M

G

N

I

L

R

R

G

G

C

W

S

N

V

V

S

S

M

M

P

P

F

N

K

K

E

T

D

N

V

I

L

H

H

K

L

Y

V

L

D

D

H

K

V

L

E

S

A

P

S

A

A

A

Q

E

A

L

I

V

E

G

S

A

V

V

N

N

T

T

I

V

V

V

N

N

D

D

G

G

R

V

L

L

T

T

A

G

S

H

N

I

T

T

D

D

Y

G

L

T

A

G

V

Y

Q

M

Q

R

L

A

I

L

G

K

E

E

H

A

G

G

L

H

D

D

P

I

E

I

D

G

T

K

V

K

M

M

-

T

I

I

R

C

G

G

S

A

G

G

M

A

A

A

K

T

A

A

V

I

G

C

A

I

A

Q

F

A

A

A

G

L

A

D

G

G

F

V

R

K

T

E

G

I

F

S

V

I

V

F

A
x
N

R
|
R

N
x
K

P

-

E
x
D

S

D

G

F

H

Y

A

A

L

N

A

A

D

E

R

K

L

T

G

-

Y

-

T

-

Y

-

V

V

A

E

D

K

V

I

G

N

T

S

V

K

T

T

-

D

-

C

-

K

-

A

-

Q

-

L

-

F

-

D

-

I

-

E

-

D

-

H

-

E

-

Q

-

L

-

R

-

K

-

E

-

I

-

A

-

E

A

S

P

V

I

I

I

F

V

T

N

N

V

A

T

T

P

G

I

V

G

G

M
|
M

A

-

G

-

A

K

P

P

E

F

Q

E

R

G

E

E

L

T

A

L

F

L

G

P

A

S

A

A

A

D

I

M

A

L

A

R

A

P

D

E

T

L

V

I

F

V

-

S

D

D

V

V

A

Y

L

K

P

P

S

T

E

K

T

T

P

R

L

L

I

L

K

E

A

I

A

A

R

E

A

E

A

Q

G

G

A

C

Q

Q

V

T

I

L

T

N

G

G

A

L

Q

G

V

M

I

M

A

L

L

W

Q

Q

A

G

A

A

E

K

Q

A

F

F

E

E

R

I

Y

W

T

T

NRK-D 161:164 (≠ ARNPE 154:158) binding NAD(+)
M214 (= M191) binding NADP(+)

Sites not aligning to the query:

26:28 binding shikimate

Q8ZPR4 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720)
33% identity, 89% coverage: 14:256/273 of query aligns to 10:272/288 of Q8ZPR4

query
sites
Q8ZPR4

I

I

S

G

L

L

A

M

G

A

R

Y

P

P

-

I

-

R

S

H

N

S

I

L

G

S

T

P

R

E

F

M

H

Q

N

N

H

K

L

A

Y

L

E

E

V

K

L

A

G

G

L

L

D

P

F

Y

I

T

Y

Y

K

M

A

A

F

F

T

E

-

V

-

D

T

N

T

T

D

T

I

F

V

A

A

S

A

A

I

I

G

E

G

G

V

L

R

K

A

A

L

L

G

K

I

M

R

R

G

G

C

T

S

G

V

V

S

S

M

M

P

P

F

N

K

K

E

Q

D

L

V

A

L

C

H

E

L

Y

V

V

D

D

H

E

V

L

E

T

A

P

S

A

A

A

Q

K

A

L

I

V

E

G

S

A

V

I

N

N

T

T

I

I

V

V

N

N

D

D

G

G

R

Y

L

L

T

R

A

G

S

Y

N

N

T

T

D

D

Y

G

L

T

A

G

V

H

Q

I

Q

R

L

A

I

I

G

K

E

E

H

S

G

G

L

F

D

D

P

M

E

R

-

G

D

K

T

T

V

M

M

V

I

L

R

L

G

G

S
x
A

G
|
G

M
x
A

A

A

K

T

A

A

V

I

G

G

A

A

A

Q

F

A

A

A

G

I

A

E

G

G

F

I

R

K

T

E

G

I

F

K

V

L

V

F

A
x
N

R
|
R

N
x
K

P
x
D

-

D

-

F

E

E

S

K

G

A

H

V

A

A

L

F

A

A

D

K

R

R

L

V

G

N

-

E

-

N

-

T

-

D

-

C

-

V

-

T

Y

V

T

T

Y

D

V

L

A

A

D

D

V

Q

G

H

T

A

V

F

T

T

-

E

-

A

-

L

-

A

-

S

A

A

P

D

I

I

I

L

V

T

N

N

V

G

T

T

P
x
K

I

V

G

G

M

M

A

-

G

-

A

K

P

P

E

L

Q

E

R

N

E

E

L

S

A

L

F

I

G

G

A

D

A

V

A

S

I

L

A

L

A

R

A

P

D

E

-

L

T

L

V

V

F

T

D

E

V
x
C

V
|
V

A
x
Y

L
x
N

P

P

S

H

E

M

T

T

P

K

L

L

I

L

K

Q

A

Q

A

A

R

Q

A

Q

A

A

G

G

A

C

Q

K

V

T

I

I

T

D

G
|
G

A

Y

Q

G

V

M

I

L

A

L

L

W

Q

Q

A

G

A

A

E

E

Q

Q

F

F

E

E

R

L

Y

W

T

T

G

G

AGGA 132:135 (≠ SGGM 131:134) binding NAD(+)
NRKD 155:158 (≠ ARNP 154:157) binding NAD(+)
K205 (≠ P188) binding NAD(+)
CVYN 232:235 (≠ VVAL 216:219) binding NAD(+)
G255 (= G239) binding NAD(+)

P07547 Pentafunctional AROM polypeptide; EC 4.2.3.4; EC 2.5.1.19; EC 2.7.1.71; EC 4.2.1.10; EC 1.1.1.25 from Emericella nidulans (strain FGSC A4 / ATCC 38163 / CBS 112.46 / NRRL 194 / M139) (Aspergillus nidulans) (see 2 papers)
27% identity, 86% coverage: 27:262/273 of query aligns to 1307:1573/1583 of P07547

query
sites
P07547

F

L

H

H

N

N

H

T

L

L

Y

F

E

A

V

Q

L

V

G

G

L

L

D

P

F

H

I

N

Y

Y

K

T

A

R

F

L

T

E

T

T

D

N

I

A

V

Q

A

D

A

V

I

Q

G

E

G

F

V

I

R

R

A

S

L

P

G

D

I

F

R

G

G

G

C

A

S

S

V

V

S

T

M

I

P

P

F

L

K

K

E

L

D

D

V

I

L

M

H

P

L

L

V

L

D

D

H

E

V

V

E

A

A

A

S

E

A

A

Q

E

A

I

I

I

E

G

S

A

V

V

N

N

T

T

I

I

V

I

-

P

-

V

-

S

-

T

-

G

-

K

N

N

D

T

D

P

G

S

R

R

L

L

T

V

A

G

S

R

N

N

T

T

D

D

Y

W

-

Q

-

G

-

M

-

I

L

L

A

S

V

L

Q

R

Q

K

-

A

-

G

L

V

I

Y

G

G

E

P

H

K

G

R

L

K

D

D

P

Q

E

E

D

Q

T

S

V

A

M

L

I

V

R

V

G

G

S

G

G

G

M

T

A

A

K

R

A

A

V

A

G

I

A

Y

A

A

F

L

A

H

G

N

A

M

G

G

F

Y

R

S

T

P

G

I

F

Y

V

I

V

V

A

G

R

R

N

T

P

P

E

S

S

K

G

L

H

E

A

N

L

M

A

V

D

S

R

T

L

F

G

P

Y

S

T

S

Y

Y

V

-

A

-

D

N

V

I

G

R

T

I

V

V

T

E

A

S

P

P

-

S

-

F

-

E

-

S

-

V

-

P

-

H

I

V

I

A

V

I

N

G

V

T

T

I

P

P

I

A

G

D

M

Q

A

P

G

I

A

D

P

P

E

T

Q

M

R

R

E

E

L

T

-

L

-

C

-

H

A

M

F

F

G

E

A

R

A

A

A

Q

I

E

A

A

A

D

A

A

D

E

T

A

V

V

-

K

-

A

-

I

-

E

-

H

-

A

-

P

-

R

-

I

-

L

F

L

D

E

V

M

V

A

A

Y

L

K

P

P

S

Q

E

V

T

T

P

A

L

L

I

M

K

R

A

L

A

A

R

S

A

D

A

S

G

G

A

W

Q

K

V

T

I

I

T

P

G

G

A

L

Q

E

V

V

I

L

A

V

L

G

Q

Q

A

G

A

W

E

Y

Q

Q

F

F

E

K

R

Y

Y

W

T

T

G

G

V

I

R

S

P

P

T

L

P

Y

E

E

Sites not aligning to the query:

44:46 binding NAD(+)
81:84 binding NAD(+)
114:116 binding NAD(+)
119 binding NAD(+)
139:140 binding NAD(+)
161 binding NAD(+)
179:182 binding NAD(+)
190 binding NAD(+)
194 binding Zn(2+)
271 binding Zn(2+)
287 binding Zn(2+)

2cy0A Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP (see paper)
30% identity, 89% coverage: 27:268/273 of query aligns to 19:257/262 of 2cy0A

query
sites
2cy0A

F

M

H

H

N

A

H

F

L

A

Y

L

E

E

V

S

L

L

G

G

L

L

D

E

F

G

I

S

Y

Y

K

E

A

A

F

W

T

D

T

T

T

P

D

-

I

L

V

E

A

A

A

L

I

P

G

G

G

R

V

L

R

K

A

E

L

V

-

R

G

A

I

F

R

R

G

G

C

V

S

N

V

L

S

T

M

L

P

P

F

L

K
|
K

E

E

D

A

V

A

L

L

H

A

L

H

V

L

D

D

H

W

V

V

E

S

A

P

S

E

A

A

Q

Q

A

R

I

I

E

G

S

A

V

V

N

N

T

T

I

V

V

L

N

Q

D

V

D

E

G

G

R

R

L

L

T

F

A

G

S

F

N

N

T

T

D
|
D

Y

A

L

P

A

G

V

F

Q

L

Q

E

L

A

I

L

G

K

E

A

H

G

G

G

L

I

D

P

P

L

E

K

D

G

T

P

V

A

M

L

I

V

R

L

G
|
G

S

A

G

G

G
|
G

M
x
A

A

G

K

R

A

A

V

V

G

A

A

F

A

A

F

L

A

R

G

E

A

A

G

G

F

L

R

E

T

V

G

-

F

W

V

V

V

W

A
x
N

R
|
R

N
x
T

P

P

E

Q

S
x
R

G

A

H

L

A

A

L

L

A

A

D

E

R

E

L

F

G

G

Y

L

T

R

Y

A

V

V

A

P

D

L

V

E

G

K

T

A

V

R

T

E

A

A

P

R

I

L

V

V

N

N

V

A

T
|
T

P
x
R

I
x
V

G

G

M

L

-

E

-

D

-

P

A

S

G

A

A

S

P

P

E

L

Q

P

R

A

E

E

L

L

A

-

F

-

G

-

A

-

I

F

A

P

A

E

D

G

T

A

V

A

F

V

D

D

V
x
L

V

V

A

Y

L

R

P

P

S

L

E

W

T

T

P

R

L

F

I

L

K

R

A

E

A

A

R

K

A

A

A

K

G

G

A

L

Q

K

V

V

I

Q

T

T

G

G

A

L

Q

P

V

M

I
x
L

A

A

L

W

Q

Q

A

G

A

A

E

L

Q

A

F

F

E

R

R

L

Y

W

T

T

G

G

V

L

R

L

P

P

T

D

P

P

E

S

Q

G

I

M

A

E

E

E

A

A

S

A

active site: K64 (= K71), D100 (= D107)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G123 (= G130), G126 (= G133), A127 (≠ M134), N146 (≠ A154), R147 (= R155), T148 (≠ N156), R151 (≠ S159), T179 (= T187), R180 (≠ P188), V181 (≠ I189), L205 (≠ V216), L232 (≠ I243)

2ev9B Crystal structure of shikimate 5-dehydrogenase (aroe) from thermus thermophilus hb8 in complex with NADP(h) and shikimate (see paper)
30% identity, 89% coverage: 27:268/273 of query aligns to 19:257/263 of 2ev9B

query
sites
2ev9B

F

M

H

H

N

A

H

F

L

A

Y

L

E

E

V

S

L

L

G

G

L

L

D

E

F

G

I

S

Y

Y

K

E

A

A

F

W

T

D

T

T

T

P

D

-

I

L

V

E

A

A

A

L

I

P

G

G

G

R

V

L

R

K

A

E

L

V

-

R

G

A

I

F

R

R

G

G

C

V

S
x
N

V

L

S
x
T

M

L

P

P

F

L

K
|
K

E

E

D

A

V

A

L

L

H

A

L

H

V

L

D

D

H

W

V

V

E

S

A

P

S

E

A

A

Q

Q

A

R

I

I

E

G

S

A

V

V

N
|
N

T

T

I

V

V

L

N

Q

D

V

D

E

G

G

R

R

L

L

T

F

A

G

S

F

N

N

T

T

D
|
D

Y

A

L

P

A

G

V

F

Q

L

Q

E

L

A

I

L

G

K

E

A

H

G

G

G

L

I

D

P

P

L

E

K

D

G

T

P

V

A

M

L

I

V

R

L

G

G

S

A

G

G

M

A

A

G

K

R

A

A

V

V

G

A

A

F

A

A

F

L

A

R

G

E

A

A

G

G

F

L

R

E

T

V

G

-

F

W

V

V

V

W

A

N

R

R

N

T

P

P

E

Q

S

R

G

A

H

L

A

A

L

L

A

A

D

E

R

E

L

F

G

G

Y

L

T

R

Y

A

V

V

A

P

D

L

V

E

G

K

T

A

V

R

T

E

A

A

P

R

I

L

V

V

N

N

V

A

T

T

P

R

I

V

G

G

M

L

-

E

-

D

-

P

A

S

G

A

A

S

P

P

E

L

Q

P

R

A

E

E

L

L

A

-

F

-

G

-

A

-

I

F

A

P

A

E

D

G

T

A

V

A

F

V

D

D

V

L

V

V

A

Y

L

R

P

P

S

L

E

W

T

T

P

R

L

F

I

L

K

R

A

E

A

A

R

K

A

A

A

K

G

G

A

L

Q

K

V

V

I

Q

T

T

G

G

A

L

Q

P

V

M

I

L

A

A

L

W

Q
|
Q

A

G

A

A

E

L

Q

A

F

F

E

R

R

L

Y

W

T

T

G

G

V

L

R

L

P

P

T

D

P

P

E

S

Q

G

I

M

A

E

E

E

A

A

S

A

active site: K64 (= K71), D100 (= D107)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: N58 (≠ S65), T60 (≠ S67), K64 (= K71), N85 (= N92), D100 (= D107), Q235 (= Q246)

Sites not aligning to the query:

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 14, 16

Q5SJF8 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8) (see paper)
30% identity, 89% coverage: 27:268/273 of query aligns to 19:257/263 of Q5SJF8

query
sites
Q5SJF8

F

M

H

H

N

A

H

F

L

A

Y

L

E

E

V

S

L

L

G

G

L

L

D

E

F

G

I

S

Y

Y

K

E

A

A

F

W

T

D

T

T

T

P

D

-

I

L

V

E

A

A

A

L

I

P

G

G

G

R

V

L

R

K

A

E

L

V

-

R

G

A

I

F

R

R

G

G

C

V

S

N

V

L

S
x
T

M

L

P

P

F

L

K
|
K

E

E

D

A

V

A

L

L

H

A

L

H

V

L

D

D

H

W

V

V

E

S

A

P

S

E

A

A

Q

Q

A

R

I

I

E

G

S

A

V

V

N
|
N

T

T

I

V

V

L

N

Q

D

V

D

E

G

G

R

R

L

L

T

F

A

G

S

F

N

N

T

T

D
|
D

Y

A

L

P

A

G

V

F

Q

L

Q

E

L

A

I

L

G

K

E

A

H

G

G

G

L

I

D

P

P

L

E

K

D

G

T

P

V

A

M

L

I

V

R

L

G
|
G

S
x
A

G
|
G

M
x
A

A

G

K

R

A

A

V

V

G

A

A

F

A

A

F

L

A

R

G

E

A

A

G

G

F

L

R

E

T

V

G

-

F

W

V

V

V

W

A
x
N

R
|
R

N
x
T

P
|
P

E
x
Q

S
x
R

G

A

H

L

A

A

L

L

A

A

D

E

R

E

L

F

G

G

Y

L

T

R

Y

A

V

V

A

P

D

L

V

E

G

K

T

A

V

R

T

E

A

A

P

R

I

L

V

V

N

N

V

A

T

T

P

R

I

V

G

G

M

L

-

E

-

D

-

P

A

S

G

A

A

S

P

P

E

L

Q

P

R

A

E

E

L

L

A

-

F

-

G

-

A

-

I

F

A

P

A

E

D

G

T

A

V

A

F

V

D

D

V
x
L

V

V

A
x
Y

L

R

P

P

S

L

E

W

T

T

P

R

L

F

I

L

K

R

A

E

A

A

R

K

A

A

A

K

G

G

A

L

Q

K

V

V

I

Q

T

T

G
|
G

A

L

Q

P

V

M

I

L

A

A

L

W

Q
|
Q

A

G

A

A

E

L

Q

A

F

F

E

R

R

L

Y

W

T

T

G

G

V

L

R

L

P

P

T

D

P

P

E

S

Q

G

I

M

A

E

E

E

A

A

S

A

T60 (≠ S67) binding shikimate
K64 (= K71) active site, Proton acceptor
N85 (= N92) binding shikimate
D100 (= D107) binding shikimate
GAGGA 123:127 (≠ GSGGM 130:134) binding NADP(+)
NRTPQR 146:151 (≠ ARNPES 154:159) binding NADP(+)
L205 (≠ V216) binding NADP(+)
Y207 (≠ A218) binding shikimate
G228 (= G239) binding NADP(+)
Q235 (= Q246) binding shikimate

Sites not aligning to the query:

14:16 binding shikimate

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
29% identity, 87% coverage: 27:263/273 of query aligns to 1282:1543/1555 of 6hqvA

query
sites
6hqvA

F

L

H

H

N

N

H

T

L

L

Y

F

E

Y

V

K

L

T

G

G

L

L

D

P

F

H

I

H

Y

Y

K

S

A

R

F

F

T

E

T

T

T

D

D

E

I

A

V

S

A

K

A

A

I

L

G

E

G

S

-

L

V

I

R

R

A

S

L

P

G

D

I

F

R

G

G

G

C

A

S

S

V

V

S
x
T

M

I

P

P

F

L

K
|
K

E

L

D

D

V

I

L

M

H

P

L

L

V

L

D

D

H

S

V

A

E

T

A

D

S

A

A

A

Q

R

A

T

I

I

E

G

S

A

V

V

N
|
N

T

T

I

I

V

I

-

P

-

Q

N

T

D

R

D

D

G

G

R

S

-

T

L

L

T

V

A

G

S

D

N

N

T

T

D
|
D

Y

W

L

R

A

G

-

M

V

V

Q

H

Q

A

L

L

I

L

G

H

E

S

H

S

G

G

L

S

D

G

-

S

-

V

-

Q

-

R

-

T

-

A

P

P

E

R

D

G

T

A

V

A

M

M

I

V

R

V

G

G

S

S

G

G

M

T

A

A

K

R

A

A

V

A

G

I

A

Y

A

A

F

L

A

H

G

D

A

L

G

G

F

F

R

A

T

P

G

I

F

W

V

I

V

V

A

A

R

R

N

S

P

E

E

E

S

R

G

V

H

A

A

E

L

L

A

V

D

R

R

G

L

F

-

D

G

G

Y

Y

T

-

Y

-

V

-

A

-

D

D

V

L

G

R

T

R

V

M

T

T

A

S

P

P

-

H

-

Q

-

G

-

K

-

D

-

N

-

M

-

P

-

S

I

V

V

I

N

S

V

T

T

I

P

P

I

A

G

T

M

Q

A

P

G

I

A

D

P

P

E

S

Q

M

R

R

E

E

-

V

-

I

-

V

-

E

-

V

L

L

A

K

F

H

G

G

A

H

A

P

A

S

I

-

A

A

A

E

A

G

D

K

T

V

V

L

F

L

D

E

V

M

V

A

A

Y

L

Q

P

P

S

P

E

R

T

T

P

P

L

L

I

M

K

T

A

L

A

A

R

E

A

D

A

Q

G

G

A

W

Q

R

V

T

I

V

T

G

G

G

A

L

Q

E

V

V

I

L

A

A

L

A

Q
|
Q

A

G

A

W

E

Y

Q

Q

F

F

E

Q

R

L

Y

W

T

T

G

G

V

I

R

T

P

P

T

L

P

Y

E

E

Q

E

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: T1323 (≠ S67), K1327 (= K71), N1348 (= N92), D1368 (= D107), Q1526 (= Q246)

Sites not aligning to the query:

active site: 123, 145, 187, 243, 253, 257, 261, 264, 268, 280
binding (4S,5R)-4,5-dihydroxy-3-oxocyclohex-1-ene-1-carboxylic acid: 1060, 1062, 1181, 1224, 1232, 1242, 1243
binding glutamic acid: 139, 145, 187, 243, 257, 264, 280
binding nicotinamide-adenine-dinucleotide: 42, 44, 45, 76, 79, 107, 108, 109, 112, 132, 133, 135, 139, 140, 145, 154, 175, 176, 177, 180, 280
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 413, 562, 563, 874, 923, 924, 979, 1277, 1279
binding zinc ion: 187, 264, 280

2gptA Crystal structure of arabidopsis dehydroquinate dehydratase-shikimate dehydrogenase in complex with tartrate and shikimate (see paper)
30% identity, 87% coverage: 28:264/273 of query aligns to 253:481/498 of 2gptA

query
sites
2gptA

H

H

N

N

H

Q

L

A

Y

F

E

K

V

S

L

V

G

D

L

F

D

N

F

G

I

V

Y

Y

K

V

A

H

F

L

T

L

T

V

T

D

D

N

I

L

V

V

A

S

A

F

I

L

G

Q

G

A

V

Y

R

S

A

S

L

S

G

D

I

F

R

A

G

G

C

F

S

S

V

C

S
x
T

M

I

P

P

F

H

K
|
K

E

E

D

A

V

A

L

L

H

Q

L

C

V

C

D

D

H

E

V

V

E

D

A

P

S

L

A

A

Q

K

A

S

I

I

E

G

S

A

V

V

N
|
N

T

T

I

I

V

L

-

R

N

K

D

S

D

D

G

G

R

K

L

L

T

L

A

G

S

Y

N

N

T

T

D
|
D

Y

C

L

I

A

G

V

S

Q

I

Q

S

L

A

I

I

G

-

E

E

H

D

G

G

L

L

D

-

P

-

E

-

D

-

T

T

V

V

M

V

I

V

R

I

G

G

S

A

G

G

M

A

A

G

K

K

A

A

V

L

G

A

A

Y

A

G

F

A

A

K

G

E

A

K

G

G

F

A

R

K

T

-

G

-

F

-

V

V

A

I

R

A

N

N

P

R

E

T

S

Y

G

E

H

R

A

E

L

L

A

A

D

E

R

A

L

I

G

G

Y

A

T

L

Y

S

V

L

A

T

D

D

V

L

G

D

T

N

V

Y

T

E

A

D

P

G

I

M

I

V

V

L

-

A

N

N

V

T

T

T

P

S

I

M

G

G

M

M

A

Q

G

-

A

-

P

P

E

N

Q

V

R

E

E

E

L

T

A

P

F

I

G

S

A

K

A

D

A

A

I

L

A

K

A

H

A

Y

D

A

T

L

V

V

F

F

D

D

V

A

V

V

A
x
Y

L

T

P

P

S

R

E

I

T

T

P

R

L

L

I

L

K

R

A

E

A

A

R

E

A

E

A

S

G

G

A

A

Q

I

V

T

I

V

T

S

G

G

A

S

Q

E

V

M

I

F

A

V

L

R

Q
|
Q

A

A

A

Y

E

E

Q
|
Q

F

F

E

E

R

I

Y

F

T

T

G

G

V

L

R

-

P

P

T

A

P

P

E

K

Q

E

I

L

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: T292 (≠ S67), K296 (= K71), N317 (= N92), D334 (= D107), Y436 (≠ A218), Q464 (= Q246), Q468 (= Q250)

Sites not aligning to the query:

active site: 70, 125, 152
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 239, 247, 249

Query Sequence

>WP_011781964.1 NCBI__GCF_000015305.1:WP_011781964.1
MTRPPLTKDTRLCISLAGRPSNIGTRFHNHLYEVLGLDFIYKAFTTTDIVAAIGGVRALG
IRGCSVSMPFKEDVLHLVDHVEASAQAIESVNTIVNDDGRLTASNTDYLAVQQLIGEHGL
DPEDTVMIRGSGGMAKAVGAAFAGAGFRTGFVVARNPESGHALADRLGYTYVADVGTVTA
PIIVNVTPIGMAGAPEQRELAFGAAAIAAADTVFDVVALPSETPLIKAARAAGAQVITGA
QVIALQAAEQFERYTGVRPTPEQIAEASALSRA

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