SitesBLAST

P10880 Shikimate kinase 2; SK 2; Shikimate kinase II; SKII; EC 2.7.1.71 from Dickeya chrysanthemi (Pectobacterium chrysanthemi) (Erwinia chrysanthemi) (see paper)
34% identity, 96% coverage: 4:170/174 of query aligns to 2:169/173 of P10880

query
sites
P10880

S

T

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E

N

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Y

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L

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M

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G

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A
x
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E

L

L

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A

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D

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A

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G

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C13 (≠ A15) mutation to S: 66% of wild-type activity. Increase in substrates affinity.
K15 (= K17) mutation to M: Loss of activity. Increased thermostability.
D34 (= D36) mutation to N: Loss of activity.
C162 (≠ N163) mutation to S: No effect on activity and substrates affinity.

1e6cA K15m mutant of shikimate kinase from erwinia chrysanthemi (see paper)
34% identity, 96% coverage: 4:170/174 of query aligns to 2:169/170 of 1e6cA

query
sites
1e6cA

S

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binding phosphate ion: R11 (≠ M13), G12 (= G14), M15 (≠ K17), T16 (= T18)

2iyvA Shikimate kinase from mycobacterium tuberculosis in complex with adp, open lid (conf. B) (see paper)
40% identity, 93% coverage: 9:170/174 of query aligns to 6:166/179 of 2iyvA

query
sites
2iyvA

L

L

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G

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G

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K

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T

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L

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binding adenosine-5'-diphosphate: G11 (= G14), G13 (= G16), K14 (= K17), S15 (≠ T18), T16 (= T19), R109 (= R113), R152 (≠ M156), P154 (≠ S158)

2iywA Shikimate kinase from mycobacterium tuberculosis in complex with mgatp, open lid (conf. B) (see paper)
40% identity, 93% coverage: 9:170/174 of query aligns to 6:166/178 of 2iywA

query
sites
2iywA

L

L

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binding adenosine-5'-triphosphate: G11 (= G14), G13 (= G16), K14 (= K17), S15 (≠ T18), T16 (= T19), R109 (= R113), R152 (≠ M156), P154 (≠ S158)

4bqsA Crystal structure of mycobacterium tuberculosis shikimate kinase in complex with adp and a shikimic acid derivative. (see paper)
40% identity, 93% coverage: 9:170/174 of query aligns to 6:166/169 of 4bqsA

query
sites
4bqsA

L

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binding adenosine-5'-diphosphate: P10 (≠ M13), G11 (= G14), G13 (= G16), K14 (= K17), S15 (≠ T18), T16 (= T19), R109 (= R113), R152 (≠ M156), P154 (≠ S158)
binding (1R,6R,10S)-6,10-dihydroxy-2-oxabicyclo[4.3.1]deca-4(Z),7-diene-8-carboxylic acid: D33 (= D36), R135 (= R139)

2iyyA Shikimate kinase from mycobacterium tuberculosis in complex with shikimate-3-phosphate and so4 (see paper)
40% identity, 93% coverage: 9:170/174 of query aligns to 6:166/169 of 2iyyA

query
sites
2iyyA

L

L

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I

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binding magnesium ion: E37 (= E40), S43 (≠ D46), I44 (= I47)
binding phosphate ion: K14 (= K17), G79 (= G82)
binding shikimate-3-phosphate: K14 (= K17), D33 (= D36), R57 (= R60), G79 (= G82), G80 (= G83), L118 (= L122), R135 (= R139)

1zyuA Crystal structure of mycobacterium tuberculosis shikimate kinase in complex with shikimate and amppcp at 2.85 angstrom resolution (see paper)
40% identity, 93% coverage: 9:170/174 of query aligns to 6:166/168 of 1zyuA

query
sites
1zyuA

L

L

I

V

G

G

L

L

M
x
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G

A

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G
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G

K
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x
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T
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T

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I

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R

L

L

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A

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K

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A

L

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Y

L

D

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D
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D

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A

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A

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R
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P

L
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L

L

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binding phosphomethylphosphonic acid adenylate ester: P10 (≠ M13), G11 (= G14), G13 (= G16), K14 (= K17), S15 (≠ T18), T16 (= T19), R109 (= R113), T149 (= T153), R152 (≠ M156), P154 (≠ S158)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: D33 (= D36), R57 (= R60), G80 (= G83), P117 (= P121), L118 (= L122), R135 (= R139)

3bafA Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with amp-pnp
40% identity, 93% coverage: 9:169/174 of query aligns to 6:165/165 of 3bafA

query
sites
3bafA

L

L

I

V

G

G

L

L

M
x
P

G

G

A

S

G
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G

K
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K

T
x
S

T
|
T

I

I

G

G

K

R

Q

R

L

L

A

A

K

K

S

A

L

L

K

G

W

V

P

G

F

L

Y

L

D

D

S

T

D
|
D

K

V

A

A

I

I

E

E

E

Q

S

R

T

T

G

G

V

R

D

S

I

I

P

A

T

D

I

I

F

F

E

A

F

T

E

D

G

G

E

E

A

Q

G

E

F

F

R

R

E

R

R

I

E

E

Q

E

K

D

M

V

I

V

R

R

Q

A

L

A

T

L

Q

A

M

D

R

H

G

D

I

G

V

V

L

L

A

S

T

L

G

G

A

A

I

V

L

T

L

S

E

P

E

G

N

V

R

R

R

A

L

A

L

L

H

A

E

G

N

H

G

-

F

T

V

V

Y

Y

L

L

Q

E

C

I

S

S

I

A

A

A

R

E

I

G

L

V

E

R

R
|
R

T

T

R

G

D

N

T

T

Q

V

R
|
R

P

P

L

L

K

A

T

G

D

P

N

D

P

R

K

A

E

E

R

K

L

Y

E

R

S

A

L

L

F

M

K

A

E

K

R
|
R

E

A

P

P

L

L

Y

Y

L

R

S

R

C

V

A

A

D

T

F

M

K

R

I

V

D

D

T

T

G

N

V

R

M

R

P

N

S

P

K

G

A

A

V

V

N

R

R

H

I

I

L

L

E

S

Q

R

F

L

binding phosphoaminophosphonic acid-adenylate ester: P10 (≠ M13), G13 (= G16), K14 (= K17), S15 (≠ T18), T16 (= T19), R109 (= R113), R116 (= R120)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: D33 (= D36), R135 (= R139)

2dfnA Structure of shikimate kinase from mycobacterium tuberculosis complexed with adp and shikimate at 1.9 angstrons of resolution (see paper)
40% identity, 93% coverage: 9:169/174 of query aligns to 6:165/165 of 2dfnA

query
sites
2dfnA

L

L

I

V

G

G

L

L

M
x
P

G
|
G

A
x
S

G
|
G

K
|
K

T
x
S

T
|
T

I

I

G

G

K

R

Q

R

L

L

A

A

K

K

S

A

L

L

K

G

W

V

P

G

F

L

Y

L

D

D

S

T

D
|
D

K

V

A

A

I

I

E

E

E

Q

S

R

T

T

G

G

V

R

D

S

I
|
I

P

A

T

D

I

I

F

F

E

A

F

T

E

D

G

G

E

E

A

Q

G

E

F
|
F

R
|
R

E

R

R

I

E

E

Q

E

K

D

M

V

I

V

R

R

Q

A

L

A

T

L

Q

A

M

D

R

H

G

D

I

G

V

V

L

L

A

S

T

L

G
|
G

A

A

I

V

L

T

L

S

E

P

E

G

N

V

R

R

R

A

L

A

L

L

H

A

E

G

N

H

G

-

F

T

V

V

Y

Y

L

L

Q

E

C

I

S

S

I

A

A

A

R

E

I

G

L

V

E

R

R
|
R

T

T

R

G

D

N

T

T

Q

V

R
|
R

P

P

L

L

K

A

T

G

D

P

N

D

P

R

K

A

E

E

R

K

L

Y

E

R

S

A

L

L

F

M

K

A

E

K

R
|
R

E

A

P

P

L

L

Y

Y

L

R

S

R

C

V

A

A

D

T

F

M

K

R

I

V

D

D

T

T

G

N

V

R

M
x
R

P

N

S
x
P

K

G

A

A

V

V

N

R

R

H

I

I

L

L

E

S

Q

R

F

L

binding adenosine-5'-diphosphate: G11 (= G14), S12 (≠ A15), G13 (= G16), K14 (= K17), S15 (≠ T18), T16 (= T19), R109 (= R113), R116 (= R120), R152 (≠ M156), P154 (≠ S158)
binding chloride ion: P10 (≠ M13), K14 (= K17), G79 (= G82)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: D33 (= D36), I44 (= I47), F56 (= F59), R57 (= R60), G78 (= G81), G79 (= G82), G80 (= G83), R135 (= R139)

1we2A Crystal structure of shikimate kinase from mycobacterium tuberculosis in complex with mgadp and shikimic acid (see paper)
40% identity, 93% coverage: 9:169/174 of query aligns to 6:165/165 of 1we2A

query
sites
1we2A

L

L

I

V

G

G

L

L

M
x
P

G
|
G

A

S

G
|
G

K
|
K

T
x
S

T
|
T

I

I

G

G

K

R

Q

R

L

L

A

A

K

K

S

A

L

L

K

G

W

V

P

G

F

L

Y

L

D

D

S

T

D
|
D

K

V

A

A

I

I

E

E

E

Q

S

R

T

T

G

G

V

R

D

S

I
|
I

P

A

T

D

I

I

F
|
F

E

A

F

T

E

D

G

G

E

E

A

Q

G

E

F

F

R

R

E

R

R

I

E

E

Q

E

K

D

M

V

I

V

R

R

Q

A

L

A

T

L

Q

A

M

D

R

H

G

D

I

G

V

V

L

L

A

S

T

L

G
|
G

A

A

I

V

L

T

L

S

E

P

E

G

N

V

R

R

R

A

L

A

L

L

H

A

E

G

N

H

G

-

F

T

V

V

Y

Y

L

L

Q

E

C

I

S

S

I

A

A

A

R

E

I

G

L

V

E

R

R
|
R

T

T

R

G

D

N

T

T

Q

V

R
|
R

P

P

L
|
L

L

L

K

A

T

G

D

P

N

D

P

R

K

A

E

E

R

K

L

Y

E

R

S

A

L

L

F

M

K

A

E

K

R
|
R

E

A

P

P

L

L

Y

Y

L

R

S

R

C

V

A

A

D

T

F

M

K

R

I

V

D

D

T

T

G

N

V

R

M

R

P

N

S

P

K

G

A

A

V

V

N

R

R

H

I

I

L

L

E

S

Q

R

F

L

binding adenosine-5'-diphosphate: P10 (≠ M13), G11 (= G14), G13 (= G16), K14 (= K17), S15 (≠ T18), T16 (= T19), R109 (= R113), R116 (= R120)
binding 3-dehydroshikimate: D33 (= D36), I44 (= I47), F48 (= F51), G78 (= G81), G79 (= G82), G80 (= G83), L118 (= L122), R135 (= R139)

2shkB The three-dimensional structure of shikimate kinase from erwinia chrysanthemi complexed with adp (see paper)
34% identity, 96% coverage: 4:170/174 of query aligns to 2:159/162 of 2shkB

query
sites
2shkB

S

T

E

E

N

P

I

I

Y

F

L

M

I

V

G

G

L

A

M

R

G
|
G

A
x
C

G
|
G

K
|
K

T
|
T

I

V

G

G

K

R

Q

E

L

L

A

A

K

R

S

A

L

L

K

G

W

Y

P

E

F

F

Y

V

D

D

S

T

D

D

K

I

A

F

I

M

E

Q

E

H

S

T

T

S

G

G

V

M

D

T

I

V

P

A

T

D

I

V

F

V

E

A

F

A

E

E

G

G

E

W

A

P

G

G

F

F

R

R

E

R

R

R

E

E

Q

S

K

E

M

A

I

L

R

-

Q

Q

L

A

T

V

Q

A

M

T

R

P

G

N

I

R

V

V

L

V

A

A

T

T

G

G

A

M

I

V

L

L

E

E

E

Q

N

N

R

R

R

Q

L

F

L

M

H

R

E

A

N

H

G

G

F

T

V

V

Y

Y

L

L

Q

F

C

A

S

P

I

A

A

E

R

E

I

L

L

A

E

L

R
|
R

T

L

R

Q

R

L

D

-

T

T

Q

G

R

R

P

P

L

I

L

-

K

-

T

-

D

-

N

-

P

-

K

A

E

E

R

E

L

M

E

E

S

A

L

V

F

L

K

R

E

E

R

R

E

E

P

A

L

L

Y

Y

L
x
Q

S

D

C

V

A
|
A

D

H

F

Y

K

V

I

V

D

D

T

-

G

A

V

T

M
x
Q

P

P

S
x
P

K

A

A

A

V

I

V

V

N

C

R

E

I

L

L

M

E

Q

Q

T

F

M

K

R

binding adenosine-5'-diphosphate: G12 (= G14), C13 (≠ A15), G14 (= G16), K15 (= K17), T16 (= T18), T17 (= T19), R110 (= R113), Q145 (≠ M156), P147 (≠ S158)
binding magnesium ion: Q134 (≠ L144), A137 (= A147)

1u8aA Crystal structure of mycobacterium tuberculosis shikimate kinase in complex with shikimate and adp at 2.15 angstrom resolution (see paper)
39% identity, 93% coverage: 9:169/174 of query aligns to 6:163/163 of 1u8aA

query
sites
1u8aA

L

L

I

V

G

G

L

L

M

P

G
|
G

A

S

G
|
G

K
|
K

T
x
S

T
|
T

I

I

G

G

K

R

Q

R

L

L

A

A

K

K

S

A

L

L

K

G

W

V

P

G

F

L

Y

L

D

D

S

T

D
|
D

K

V

A

A

I

I

E

E

E

Q

S

R

T

T

G

G

V

R

D

S

I

I

P

A

T

D

I

I

F
|
F

E

A

F

T

E

D

G

G

E

E

A

Q

G

E

F

F

R
|
R

E

R

R

I

E

E

Q

E

K

D

M

V

I

V

R

R

Q

A

L

A

T

L

Q

A

M

D

R

H

G

D

I

G

V

V

L

L

A

S

T

L

G

G

G
|
G

A

A

I

V

L

T

L

S

E

P

E

G

N

V

R

R

R

A

L

A

L

L

H

A

E

G

N

H

G

-

F

T

V

V

Y

Y

L

L

Q

E

C

I

S

S

I

A

A

A

R

E

I

G

L

V

E

R

R
|
R

T

T

R

-

D

G

T

G

Q

V

R

R

P

P

L
|
L

L

L

K

A

T

G

D

P

N

D

P

R

K

A

E

E

R

K

L

Y

E

R

S

A

L

L

F

M

K

A

E

K

R
|
R

E

A

P

P

L

L

Y

Y

L

R

S

R

C

V

A

A

D

T

F

M

K

R

I

V

D

D

T

T

G

N

V

R

M
x
R

P

N

S
x
P

K

G

A

A

V

V

N

R

R

H

I

I

L

L

E

S

Q

R

F

L

binding adenosine-5'-diphosphate: G11 (= G14), G13 (= G16), K14 (= K17), S15 (≠ T18), T16 (= T19), R109 (= R113), R150 (≠ M156), P152 (≠ S158)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: D33 (= D36), F48 (= F51), R57 (= R60), G79 (= G82), G80 (= G83), L116 (= L122), R133 (= R139)

1shkA The three-dimensional structure of shikimate kinase from erwinia chrysanthemi (see paper)
32% identity, 96% coverage: 4:170/174 of query aligns to 2:154/158 of 1shkA

query
sites
1shkA

S

T

E

E

N

P

I

I

Y

F

L

M

I

V

G

G

L

A

M

R

G

G

A

C

G

G

K

K

T

T

I

V

G

G

K

R

Q

E

L

L

A

A

K

R

S

A

L

L

K

G

W

Y

P

E

F

F

Y

V

D

D

S

T

D

D

K

I

A

F

I

M

E

Q

E

H

S

T

T

S

G

G

V

M

D

T

I

V

P

A

T

D

I

V

F

V

E

A

F

A

E

E

G

G

E

W

A

P

G

G

F

F

R

R

E

R

R

R

E

E

Q

S

K

E

M

A

I

L

R

-

Q

Q

L

A

T

V

Q

A

M

T

R

P

G

N

I

R

V

V

L

V

A

A

T

T

G

G

A

M

I

V

L

L

E

E

E

Q

N

N

R

R

R

Q

L

F

L

M

H
x
R

E
x
A

N

H

G
|
G

F

T

V

V

Y

Y

L

L

Q

F

C

A

S

P

I

A

A

E

R

E

I

L

L

A

E

L

R

R

T

L

R

Q

R

I

D

-

T

-

Q

-

R

-

P

-

L

-

K

-

T

-

D

-

N

-

P

-

K

A

E

E

R

E

L

M

E

E

S

A

L

V

F

L

K

R

E

E

R

R

E

E

P

A

L

L

Y

Y

L
x
Q

S

D

C

V

A
|
A

D

H

F

Y

K

V

I

V

D

D

T

-

G

A

V

T

M

Q

P

P

S

P

K

A

A

A

V

I

V

V

N

C

R

E

I

L

L

M

E

Q

Q

T

F

M

K

R

binding magnesium ion: R92 (≠ H95), A93 (≠ E96), G95 (= G98), Q129 (≠ L144), A132 (= A147)

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)
32% identity, 86% coverage: 2:150/174 of query aligns to 861:1010/1583 of P07547

query
sites
P07547

K

R

H

A

S

N

E

A

N

S

I

I

Y

Y

L

I

I

I

G

G

L

M

M

R

G

G

A

A

G

G

K

K

T

S

T

T

I

A

G

G

K

N

Q

W

L

V

A

S

K

K

S

A

L

L

K

N

W

R

P

P

F

F

Y

V

D

D

S

L

D

D

K

T

A

E

I

L

E

E

E

T

S

V

T

E

G

G

V

M

D

T

I

I

P

P

T

D

I

I

F

I

E

K

F

T

E

R

G

G

E

W

A

Q

G

G

F

F

R

R

E

N

R

A

E

E

Q

L

K

E

M

I

I

L

R

K

Q

R

L

T

T

L

Q

K

-

E

-

R

M

S

R

R

G

G

I

Y

V

V

L

F

A

A

T

C

G

G

A

V

I

V

L

E

L

M

E

P

E

E

N

A

R

R

R

K

L

L

H

T

E

D

-

Y

-

H

-

K

-

T

N

K

G

G

F

N

V

V

V

L

Y

L

L

L

Q

M

C

R

S

D

I

I

A

K

R

K

I

I

L

M

E

D

R

F

T

L

R

S

R

I

D

D

T

K

Q

T

R

R

P

P

L

A

L

Y

K

V

T

E

D

D

N

-

P

-

K

-

E

-

R

-

L

M

E

M

S

G

L

V

F

W

K

L

E

R

R

R

E

K

P

P

L

W

Y

F

L

Q

S

E

C

C

A

S

D

N

F

I

K

Q

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+)

1zuiA Structural basis for shikimate-binding specificity of helicobacter pylori shikimate kinase (see paper)
33% identity, 86% coverage: 5:153/174 of query aligns to 1:143/158 of 1zuiA

query
sites
1zuiA

E

Q

N

H

I

L

Y

V

L

L

I

I

G

G

L

F

M
|
M

G

G

A

S

G

G

K

K

T

S

I

L

G

A

K

Q

Q

E

L

L

A

G

K

L

S

A

L

L

K

K

W

L

P

E

F

V

Y

L

D

D

S

T

D
|
D

K

M

A

I

I

I

E

S

E

E

S

R

T

V

G

G

V

L

D

S

I

V

P

R

T

E

I

I

F
|
F

E

E

F

E

E

L

G

G

E

E

A

D

G

N

F

F

R
|
R

E

M

R

F

E

E

Q

K

K

N

M

L

I

I

R

D

Q

E

L

L

T

K

Q

T

M

L

R

K

G

T

I

P

V

H

L

V

A

I

T

S

G

T

G
|
G

A

G

I

I

L

V

L

M

E

H

E

E

N

N

R

L

R

K

L

G

L

L

H

-

E

-

N

-

G

G

F

T

V

T

V

F

Y

Y

L

L

Q

K

C

M

S

D

I

F

A

E

R

T

I

L

L

I

E

K

R

R

T

L

R

N

R

Q

D

R

T
x
E

Q

K

R
|
R

P

P

L

L

K

-

T

-

D

-

N

N

P

N

K

L

E

T

R

Q

L

A

E

K

S

E

L

L

F

F

K

E

E

K

R
|
R

E

Q

P

A

L

L

Y

Y

L

E

S

K

C

N

A

A

D

S

F

F

K

I

I

I

D

D

T

A

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: M9 (= M13), D32 (= D36), F47 (= F51), R56 (= R60), G78 (= G82), G79 (= G83), E111 (≠ T118), R113 (= R120), R129 (= R139)

3n2eA Crystal structure of helicobactor pylori shikimate kinase in complex with nsc162535 (see paper)
32% identity, 86% coverage: 5:153/174 of query aligns to 2:146/168 of 3n2eA

query
sites
3n2eA

E

Q

N

H

I

L

Y

V

L

L

I

I

G

G

L
x
F

M

M

G

G

A

S

G

G

K

K

T

S

I

L

G

A

K

Q

Q

E

L

L

A

G

K

L

S

A

L

L

K

K

W

L

P

E

F

V

Y

L

D

D

S

T

D

D

K

M

A

I

I

I

E

S

E

E

S

R

T

V

G

G

V

L

D

S

I

V

P
x
R

T

E

I

I

F
|
F

E

E

F

E

E

L

G

G

E

E

A

D

G

N

F

F

R
|
R

E

M

R

F

E

E

Q

K

K

N

M

L

I

I

R

D

Q

E

L

L

T

K

Q

T

M

L

R

K

G

T

I

P

V

H

L

V

A

I

T

S

G

T

G

G

G
|
G

A
x
G

I

I

L

V

L
x
M

E

H

E

E

N

N

R

L

R

K

L

G

L

L

H

-

E

-

N

-

G

G

F

T

V

T

V

F

Y

Y

L

L

Q

K

C

M

S

D

I

F

A

E

R

T

I

L

L

I

E

K

R

R

T

L

R

N

R

Q

D

K

-

E

-

R

T

A

Q

K

R
|
R

P

P

L

L

K

-

T

-

D

-

N

N

P

N

K

L

E

T

R

Q

L

A

E

K

S

E

L

L

F

F

K

E

E

K

R
|
R

E

Q

P

A

L
|
L

Y
|
Y

L

E

S

K

C

N

A

A

D

S

F

F

K

I

I

I

D

D

T

A

binding 7-amino-4-hydroxy-3-[(E)-(5-hydroxy-7-sulfonaphthalen-2-yl)diazenyl]naphthalene-2-sulfonic acid: F9 (≠ L12), R45 (≠ P48), F48 (= F51), R57 (= R60), G80 (= G83), G81 (≠ A84), M84 (≠ L87), R116 (= R120), R132 (= R139), L135 (= L142), Y136 (= Y143)

3mufA Shikimate kinase from helicobacter pylori in complex with shikimate-3- phosphate and adp (see paper)
32% identity, 86% coverage: 5:153/174 of query aligns to 1:145/160 of 3mufA

query
sites
3mufA

E

Q

N

H

I

L

Y

V

L

L

I

I

G

G

L

F

M
|
M

G
|
G

A
x
S

G
|
G

K
|
K

T
x
S

I

L

G

A

K

Q

Q

E

L

L

A

G

K

L

S

A

L

L

K

K

W

L

P

E

F

V

Y

L

D

D

S

T

D
|
D

K

M

A

I

I

I

E

S

E

E

S

R

T

V

G

G

V

L

D

S

I

V

P

R

T

E

I

I

F

F

E

E

F

E

E

L

G

G

E

E

A

D

G

N

F

F

R
|
R

E

M

R

F

E

E

Q

K

K

N

M

L

I

I

R

D

Q

E

L

L

T

K

Q

T

M

L

R

K

G

T

I

P

V

H

L

V

A

I

T

S

G

T

G
|
G

A
x
G

I

I

L

V

L

M

E

H

E

E

N

N

R

L

R

K

L

G

L

L

H

-

E

-

N

-

G

G

F

T

V

T

V

F

Y

Y

L

L

Q

K

C
x
M

S

D

I

F

A

E

R

T

I

L

L

I

E

K

R
|
R

T

L

R

N

R

Q

D

K

-

E

-

R

T

E

Q

K

R
|
R

P

P

L

L

K

-

T

-

D

-

N

N

P

N

K

L

E

T

R

Q

L

A

E

K

S

E

L

L

F

F

K

E

E

K

R
|
R

E

Q

P

A

L

L

Y

Y

L

E

S

K

C

N

A

A

D

S

F

F

K

I

I

I

D

D

T

A

binding adenosine-5'-diphosphate: G10 (= G14), S11 (≠ A15), G12 (= G16), K13 (= K17), S14 (≠ T18), S15 (≠ T19), M98 (≠ C105), R106 (= R113)
binding shikimate-3-phosphate: M9 (= M13), D32 (= D36), R56 (= R60), G78 (= G82), G79 (= G83), G80 (≠ A84), R115 (= R120), R131 (= R139)

Sites not aligning to the query:

binding adenosine-5'-diphosphate: 147, 148

6hqvA Pentafunctional arom complex from chaetomium thermophilum (see paper)
31% identity, 83% coverage: 6:150/174 of query aligns to 844:990/1555 of 6hqvA

query
sites
6hqvA

N

S

I

I

Y

F

L

I

I

V

G

G

L

M

M

R

G

G

A

A

G

G

K

K

T

S

T

T

I

A

G

G

K

R

Q

W

L

M

A

S

K

E

S

L

L

L

K

K

W

R

P

P

F

L

Y

V

D

D

S

L

D
|
D

K

A

A

E

I

L

E

E

E

R

S

R

T

E

G

G

V

M

D

T

I

I

P

P

T

E

I

I

F

I

E

R

F

G

E

E

-

R

G

G

E

W

A

E

G

G

F

F

R

R

E

Q

R

A

E

E

Q

L

K

E

M

L

I

L

R

Q

Q

D

L

V

-

I

-

K

T

N

Q

Q

M

S

R

K

G

G

I

Y

V

I

L

F

A

S

T

C

G

G

G
|
G

A

I

I

V

L

E

L

T

E

E

E

A

N

A

R

R

R

K

L

L

-

I

-

D

-

Y

H

H

E

K

N

N

G

G

F

G

V

P

V

V

Y

L

L

L

-

V

Q

H

C

R

S

D

I

T

A

D

R

Q

I

V

L

V

E

E

R

Y

T

L

R

M

R

R

D

D

T

K

Q

T

R

R

P

P

L

A

L

Y

K

-

T

-

D

-

N

-

P

-

K

S

E

E

R

N

L

I

E

R

S

E

L

V

F

Y

K

E

E

R

R
|
R

E

K

P

P

L

W

Y

F

L

Y

S

E

C

C

A

S

D

N

F

L

K

Q

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: D874 (= D36), G923 (= G82), G924 (= G83), R979 (= R139)

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, 1277, 1279, 1323, 1327, 1348, 1368, 1526
binding zinc ion: 187, 264, 280

7tbvA Crystal structure of the shikimate kinase + 3-dehydroquinate dehydratase + 3-dehydroshikimate dehydrogenase domains of aro1 from candida albicans (see paper)
34% identity, 56% coverage: 5:101/174 of query aligns to 4:105/682 of 7tbvA

query
sites
7tbvA

E

K

N

S

I

I

Y

I

L

V

I

I

G

G

L

M

M

R

G

G

A

T

G

G

K

K

T

S

T

T

I

L

G

S

K

E

Q

W

L

L

A

A

K

S

S

F

L

L

K

G

W

F

P

K

F

M

Y

L

D

D

S

M

D

D

K

K

A

Y

I

L

E

E

S

K

T

L

G

G

V

T

D

G

I

I

P

K

T

S

I

L

F

I

E

K

F

A

E

K

G

G

E

W

A

E

G

Y

F

F

R

R

E

Q

R

E

E

E

Q

A

K

I

M

V

I

A

R

K

Q

E

-

C

L

F

T

T

Q

K

M

F

-

S

R

K

G

G

I

Y

V

V

L

L

A

S

T

T

G

G

A

I

I

V

L

E

L

G

E

E

E

D

N

A

R

R

R

Q

L

Q

L

L

H

K

-

S

-

Y

-

A

E

D

N

N

G

G

F

G

V

I

V

V

Sites not aligning to the query:

binding magnesium ion: 300, 302, 329

Query Sequence

>WP_020562468.1 NCBI__GCF_000372865.1:WP_020562468.1
MKHSENIYLIGLMGAGKTTIGKQLAKSLKWPFYDSDKAIEESTGVDIPTIFEFEGEAGFR
EREQKMIRQLTQMRGIVLATGGGAILLEENRRLLHENGFVVYLQCSIARILERTRRDTQR
PLLKTDNPKERLESLFKEREPLYLSCADFKIDTGVMPSKAVVNRILEQFKARNH

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