SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing AO353_26925 FitnessBrowser__pseudo3_N2E3:AO353_26925 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)

1cjxA Crystal structure of pseudomonas fluorescens hppd (see paper)
93% identity, 98% coverage: 5:356/358 of query aligns to 1:352/352 of 1cjxA

query
sites
1cjxA

Y

Y

E

E

N

N

P

P

M

M

G

G

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L

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M

G

G

F

F

E

E

F

F

I

I

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A

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L

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E

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F

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T

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A

A

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D

N

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V

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H

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L

Y

Y

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R

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Q

E

I

I

N

N

L

L

I

I

L

L

N

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E

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N

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Y

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A

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A

binding acetate ion: H237 (= H241), F334 (= F338)
binding fe (ii) ion: H158 (= H162), H237 (= H241), E319 (= E323)

7xntA Crystal structure of pfhppd-y13161 complex
92% identity, 97% coverage: 2:349/358 of query aligns to 1:341/341 of 7xntA

query
sites
7xntA

A

A

D

D

L

L

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Y

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E

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N

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F

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A

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L

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E

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P

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I

F

F

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E

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F

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T

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V

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A

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T

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H

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H

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Y

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E

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D

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-

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F

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N

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A

A

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L

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F

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Q

Q

binding 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione: H161 (= H162), T163 (= T164), S201 (= S202), P214 (= P215), Q221 (= Q226), H236 (= H241), F304 (= F312), F313 (= F321), F325 (= F333), F330 (= F338)
binding cobalt (ii) ion: H161 (= H162), H236 (= H241), E315 (= E323)

7x8eA Crystal structure of pfhppd-y13287 complex
90% identity, 98% coverage: 3:353/358 of query aligns to 1:341/341 of 7x8eA

query
sites
7x8eA

D

D

L

L

Y

Y

E

E

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N

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P

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G

L

L

M

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E

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F

F

I

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F

A

A

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S

P

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N

G

T

T

L

L

E

E

P

P

I

I

F

F

E

E

I

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G

G

F

F

T

T

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A

A

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T

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H

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S

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D

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H

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F

A

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A

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D

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A

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Y

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D

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-

G

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A

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G

G

binding 1,5-dimethyl-3-(2-methylphenyl)-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione: S193 (= S202), P206 (= P215), Q214 (= Q226), H229 (= H241), M252 (= M264), F300 (= F312), F321 (= F333), F326 (= F338)
binding cobalt (ii) ion: H160 (= H162), H229 (= H241), E311 (= E323)

7xntC Crystal structure of pfhppd-y13161 complex
87% identity, 96% coverage: 3:344/358 of query aligns to 1:320/320 of 7xntC

query
sites
7xntC

D

D

L

L

Y

Y

E

E

N

N

P

P

M

M

G

G

L

L

M

M

G

G

F

F

E

E

F

F

I

I

E

E

L

F

A

A

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S

P

P

T

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P

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T

T

L

L

E

E

P

P

I

I

F

F

E

E

I

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M

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G

F

F

T

T

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K

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V

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A

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T

H

H

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S

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K

D

N

V

V

H

H

L

L

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Y

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R

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Q

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Q

E

I

I

N

N

L

L

I

I

L

L

N

N

N

N

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E

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F

F

A

A

A

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E

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H

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C

C

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M

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A

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F

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R

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V

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K

D

D

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S

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Q

K

K

A

A

Y

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A

A

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E

E

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G

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H

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D

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G

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M

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N

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P

A

A

I

I

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K

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I

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I

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D

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H
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H

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T

H

H

N

N

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V

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Y

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G

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M

A

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Y

Y

W

W

A

A

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N

F

F

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Y

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E

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K

L

L

F

F

N

N

F

F

R

R

E

E

I

A

R

-

Y

-

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-

D

-

I

-

K

-

G

-

E

-

Y

-

T

-

G

-

L

-

T

T

S

S

K

K

A

A

M

M

T

S

A

A

P

P

D

D

G

G

M

M

I

I

R

R

I

I

P
|
P

L

L

N

N

E

E

E

E

S

-

S

-

K

-

G

-

A

-

G

-

Q
|
Q

I

I

E

E

E

E

F

F

L

L

M

M

Q

Q

F

F

N

N

G

G

E

E

G

G

I

I

Q

Q

H
|
H

V

V

A

A

F

F

L

L

S

T

D

D

D

D

L

L

I

V

K

K

T

T

W

W

D

D

H

A

L

L

K

K

K

K

I

I

G

G

M

M

R

R

F

F

M
|
M

T

T

A

A

P

P

P

P

D

D

T

T

Y

Y

Y

Y

E

E

M

M

L

L

E

E

G

G

R

R

L

L

P

P

N

D

H

H

G

G

E

E

P

P

V

V

N

D

E

Q

L

L

Q

Q

A

A

R

R

G

G

I

I

L

L

L

L

D

D

G

G

S

S

S

S

E

-

A

-

G

-

D

-

K

K

R

R

L

L

L

L

L

L

Q

Q

I

I

F
|
F

S

S

E

E

T

T

L

L

M

M

G

G

P

P

V

V

F

F

F

F

E
|
E

F

F

I

I

Q

Q

R

R

K

K

G

G

D

D

D

D

G

G

F
|
F

G
|
G

E

E

G

G

N
|
N

F
|
F

K

K

A

A

L

L

F

F

E

E

S

S

binding 3-(2,6-dimethylphenyl)-1-methyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-quinazoline-2,4-dione: H160 (= H162), T162 (= T164), P201 (= P215), Q206 (= Q226), H221 (= H241), M244 (= M264), F288 (= F312), F309 (= F333), G310 (= G334), N313 (= N337), F314 (= F338)
binding cobalt (ii) ion: H160 (= H162), H221 (= H241), E299 (= E323)

Q88JU3 3-dehydroshikimate dehydratase; DSD; EC 4.2.1.118 from Pseudomonas putida (strain ATCC 47054 / DSM 6125 / CFBP 8728 / NCIMB 11950 / KT2440) (see paper)
33% identity, 94% coverage: 13:347/358 of query aligns to 295:624/635 of Q88JU3

query
sites
Q88JU3

G

G

F

V

E

E

F

F

I

L

E

E

L

F

A

A

-

V

-

D

S

E

P

A

T

V

P

G

N

A

T

R

L

L

E

G

P

N

I

W

F

L

E

K

I

R

M

L

G

G

F

F

T

A

K

E

V

A

A

G

T

K

H

H

R

R

S

S

K

K

D

E

V

V

H

Q

L

L

Y

L

R

R

Q

Q

G

G

Q

D

I

I

N

N

L

I

I

V

L

L

N

N

N

A

E

E

P

P

H

Y

S

S

V

F

A

G

S

H

Y

N

F

F

A

F

A

E

E

A

H

H

G

G

P

P

S

S

V

L

C

C

G

A

M

T

A

A

F

L

R

R

V

V

K

K

D

D

S

Q

Q

Q

K

A

A

A

Y

L

K

K

R

R

A

A

L

T

E

A

L

F

G

R

A

G

Q

Q

P

P

I

F

H

R

I

G

E

L

T

V

G

G

P

P

M

N

E

E

L

C

N

E

L

V

P

P

A

A

I

V

K

R

G

A

I

P

G

D

G

G

A

S

P

L

L

L

Y

Y

L

L

I

V

D

E

R

Q

F

G

G

T

E

A

G

G

S

H

S

T

I

L

Y

Y

D

D

I

T

D

D

F

F

V

-

F

-

I

-

E

-

G

S

V

L

D

D

R

N

H

N

P

A

V

T

G

A

A

T

-

G

G

G

L

L

K

R

I

R

I

I

D

D

H
|
H

L

M

T

A

H

L

N

A

V

L

Y

P

R

A

G

E

R

S

M

L

A

D

Y

S

W

W

A

V

N

L

F

F

Y

Y

E

K

K

S

L

L

F

F

N

D

F

F

R

A

E

A

I

D

R

D

Y

E

F

V

D

V

I

L

K

P

G

D

E

P

Y

Y

T

G

G

L

L

V

T

K

S

S

K

R

A

A

M

L

T

R

A

S

P

Q

D

C

G

G

M

T

I

L

R

R

I

L

P

P

L

L

N

N

E

I

E

S

S

E

S

N

K

R

G

N

A

T

G

A

Q

-

I

I

E

A

E

H

F

A

L

L

M

S

Q

S

F

Y

N

R

G

G

E

S

G

G

I

V

Q

H

H
|
H

V

I

A

A

F

F

L

D

S

C

D

D

D

D

L

I

I

F

K

R

T

E

W

V

D

A

H

R

L

A

K

K

K

L

I

A

G

G

M

V

R

P

F

L

M

L

T

E

A

I

P

P

P

L

D

N

T

-

Y

Y

Y

Y

E

D

M

D

L

L

E

A

G

A

R

R

L

F

P

D

N

F

H

D

G

D

E

E

P

F

V

L

N

S

E

E

L

L

Q

A

A

Y

R

Y

G

N

I

V

L

L

L

Y

D

D

G

R

S

D

S

A

E

Q

A

G

G

G

D

E

K

-

R

-

L

-

L

L

L

F

Q

H

I

V

F

Y

S

T

E

E

T

P

L

F

M

E

G

E

P

R

V

F

F

F

F

F

E
|
E

F

I

I

I

Q

Q

R

R

K

K

-

A

G

G

D

Y

D

A

G

G

F

Y

G

G

E

A

G

A

N

N

F

V

K

A

A

V

L

R

F

L

E

A

S

A

I

M

E

A

R

K

H443 (= H162) binding
H521 (= H241) binding
E599 (= E323) binding

Sites not aligning to the query:

134 binding
165 binding
168 H→A: 21-fold decrease in turnover rate.
191 binding
206 S→A: 10-fold decrease in the affinity for dehydroshikimate without significantly altering the turnover rate.
239 binding

5hmqD Xylose isomerase-like tim barrel/4-hydroxyphenylpyruvate dioxygenase fusion protein
33% identity, 94% coverage: 13:347/358 of query aligns to 297:621/624 of 5hmqD

query
sites
5hmqD

G

G

F

V

E

E

F

F

I

L

E

E

L

F

A

A

-

V

-

D

S

E

P

A

T

V

P

G

N

A

T

R

L

L

E

G

P

N

I

W

F

L

E

K

I

R

M

L

G

G

F

F

T

A

K

E

V

A

A

G

T

K

H

H

R

R

S

S

K

K

D

E

V

V

H

Q

L

L

Y

L

R

R

Q

Q

G

G

Q

D

I

I

N

N

L

I

I

V

L

L

N

N

N

A

E

E

P

P

H

Y

S

S

V

F

A

G

S

H

Y

N

F

F

A

F

A

E

E

A

H

H

G

G

P

P

S

S

V

L

C

C

G

A

M

T

A

A

F

L

R

R

V

V

K

K

D

D

S

Q

Q

Q

K

A

A

A

Y

L

K

K

R

R

A

A

L

T

E

A

L

F

G

R

A

G

Q

Q

P

P

I

F

H

R

I

G

E

L

T

V

G

G

P

P

M

N

E

E

L

C

N

E

L

V

P

P

A

A

I

V

K

R

G

A

I

P

G

D

G

G

A

S

P

L

L

L

Y

Y

L

L

I

V

D

E

R

-

F

-

G

-

E

Q

G

G

S

T

-

H

S

T

I

L

Y

Y

D

D

I

T

D

D

F

F

V

-

F

-

I

-

E

-

G

S

V

L

D

D

R

N

H

N

P

A

V

T

G

A

A

T

-

G

G

G

L

L

K

R

I

R

I

I

D

D

H
|
H

L

M

T

A

H

L

N

A

V

L

Y

P

R

A

G

E

R

S

M

L

A

D

Y

S

W

W

A

V

N

L

F

F

Y

Y

E

K

K

S

L

L

F

F

N

D

F

F

R

A

E

A

I

-

R

-

Y

-

F

-

D

D

I

D

K

E

G

V

E

V

Y

L

T

P

G

G

L

L

T

V

-

K

S

S

K

R

A

A

M

L

T

R

A

S

P

Q

D

C

G

G

M

T

I

L

R

R

I

L

P

P

L

L

N

N

E

I

E

S

S

E

S

N

K

R

G

N

A

T

G

A

Q

-

I

I

E

A

E

H

F

A

L

L

M

S

Q

S

F

Y

N

R

G

G

E

S

G

G

I

V

Q

H

H
|
H

V

I

A

A

F

F

L

D

S

C

D

D

D

D

L

I

I

F

K

R

T

E

W

V

D

A

H

R

L

A

K

K

K

L

I

A

G

G

M

V

R

P

F

L

M

L

T

E

A

I

P

P

P

L

D

N

T

-

Y

Y

Y

Y

E

D

M

D

L

L

E

A

G

A

R

R

L

F

P

D

N

F

H

D

G

D

E

E

P

F

V

L

N

S

E

E

L

L

Q

A

A

Y

R

Y

G

N

I

V

L

L

L

Y

D

D

G

R

S

D

S

A

E

Q

A

G

G

G

D

E

K

-

R

-

L

-

L

L

L

F

Q

H

I

V

F

Y

S

T

E

E

T

P

L

F

M

E

G

E

P

R

V

F

F

F

F

F

E
|
E

F

I

I

I

Q

Q

R

R

K

K

-

A

G

G

D

Y

D

A

G

G

F

Y

G

G

E

A

G

A

N

N

F

V

K

A

A

V

L

R

F

L

E

A

S

A

I

M

E

A

R

K

binding magnesium ion: H443 (= H162), H518 (= H241), E596 (= E323)

Sites not aligning to the query:

binding magnesium ion: 136, 167, 193, 241

1t47A Structure of fe2-hppd bound to ntbc (see paper)
35% identity, 78% coverage: 72:349/358 of query aligns to 79:360/362 of 1t47A

query
sites
1t47A

A

A

E

E

H

H

G

G

P

D

S

G

V

V

C

V

G

D

M

L

A

A

F

I

R

E

V

V

K

P

D

D

S

A

Q

R

K

A

A

A

Y

H

K

A

R

Y

A

A

L

I

E

E

L

H

G

G

A

A

Q

R

P

S

I

V

H

-

I

-

E

-

T

A

G

E

P

P

M

Y

E

E

L

L

N

K

-

D

-

E

-

H

-

G

-

T

-

V

-

V

L

L

P

A

A

A

I

I

K

A

G

T

I

Y

G

G

G

K

A

T

P

R

L

H

Y

T

L

L

I

V

D

D

R

R

F

T

G

G

E

Y

G

D

S

G

S

P

I

-

Y

Y

D

L

I

P

D

G

F

Y

V

V

F

A

I

A

E

A

G

P

V

I

D

V

R

E

H

P

P

P

V

A

G

H

A

R

G

T

L

F

K

Q

I

A

I

I

D

D

H
|
H

L

C

T

V

H

G

N

N

V

V

Y

E

R

L

G

G

R

R

M

M

A

N

Y

E

W

W

A

V

N

G

F

F

Y

Y

E

N

K

K

L

V

F

M

N

G

F

F

R

T

E

N

I

M

R

K

Y

E

F

F

-

V

-

G

-

D

D

D

I

I

K

A

G

T

E

E

Y

Y

T

S

G

A

L

L

T

M

S
|
S

K

K

A

V

M

V

T

A

A

D

P

G

D

T

G

L

M

K

I

V

R

K

I

F

P
|
P

L

I

N

N

E

E

E

P

S

A

-

L

S

A

K

K

G

K

A

K

G

S

Q

Q

I

I

E

D

E

E

F

Y

L

L

M

E

Q

F

F

Y

N

G

G

G

E

A

G

G

I

V

Q

Q

H
|
H

V

I

A

A

F

L

L

N

S

T

D

G

D

D

L

I

I

V

K

E

T

T

W

V

D

R

H

T

L

M

K

R

K

A

I

A

G

G

M

V

R

Q

F

F

M

L

T

D

A

T

P

P

P

-

D

D

T

S

Y

Y

Y

Y

E

D

M

T

L

L

E

G

G

E

R

W

L

V

P

G

N

D

H

T

G

R

E

V

P

P

V

V

N

D

E

T

L

L

Q

R

A

E

R

L

G

K

I

I

L

L

L

A

D

D

G

R

S

D

S

E

E

D

A

G

G

-

D

-

K

-

R

-

L

Y

L

L

L

L

Q

Q

I

I

F
|
F

S

T

E

K

T

P

L

V

M

Q

G

D

-

R

-

P

P

T

V

V

F

F

F

F

E
|
E

F

I

I

I

Q

E

R

R

K

H

G

G

D

S

D

M

G

G

F
|
F

G
|
G

E

K

G

G

N
|
N

F
|
F

K

K

A

A

L
|
L

F

F

E

E

S

A

I

I

E

E

R

R

D

E

Q

Q

binding fe (ii) ion: H172 (= H162), H255 (= H241), E334 (= E323)
binding 2-{hydroxy[2-nitro-4-(trifluoromethyl)phenyl]methylene}cyclohexane-1,3-dione: H172 (= H162), S215 (= S202), P228 (= P215), H255 (= H241), F321 (= F312), E334 (= E323), F344 (= F333), G345 (= G334), N348 (= N337), F349 (= F338), L352 (= L341)

O52791 4-hydroxymandelate synthase; HMS; HmaS; 4-hydroxyphenylpyruvate dioxygenase II; EC 1.13.11.46 from Amycolatopsis orientalis (Nocardia orientalis) (see paper)
30% identity, 88% coverage: 31:346/358 of query aligns to 29:343/357 of O52791

query
sites
O52791

F

F

E

A

I

V

M

A

G

G

F

T

T

S

K

R

V

S

A

A

T

D

H

H

R

R

S

S

K

I

D

A

V

L

H

-

L

-

Y

-

R

R

Q

Q

G

G

Q

Q

I

V

N

T

L

L

I

V

L

L

N

T

-

E

-

P

-

T

N

S

E

D

P

R

H

H

S

P

V

A

A

A

S

A

Y

Y

F

L

A

Q

A

T

E

-

H

H

G

G

P

D

S

G

V

V

C

A

G

D

M

I

A

A

F

M

R

A

V

T

K

S

D

D

S

V

Q

A

K

A

A

A

Y

Y

K

E

R

A

A

A

L

V

E

R

L

A

G

G

A

A

Q

E

P

A

I

V

H

R

I

A

-

P

-

G

E

Q

T

H

G

S

P

E

M

A

E

A

L

V

N

T

L

T

P

A

A

T

I

I

K

G

G

G

I

F

G

G

G

D

A

V

P

V

L

H

Y

T

L

L

I

I

D

Q

R

R

F

D

G

G

E

T

G

S

S

A

S

E

I

L

Y

-

D

P

I

P

D

G

F

F

V

T

F

G

I

S

E

M

G

D

V

V

D

T

R

N

H

H

P

G

V

K

G

G

-

D

A

V

G

D

L

L

K

L

I

G

I

I

D

D

H

H

L

F

T

A

H

I

N

C

V

L

Y

N

R

A

G

G

R

D

M

L

A

G

Y

P

W

T

A

V

N

E

F

Y

Y

Y

E

E

K

R

L

A

F

L

N

G

F

F

R

R

E

Q

I

I

R

F

Y

D

F

E

D

H

I

I

K

V

G

V

E

G

Y

A

T

Q

G

A

L

M

T

N

S
|
S

K

T

A

V

M

V

T

Q

A

S

P

A

D

S

G

G

M

A

I

V

R

T

I

L

P
x
T

L

L

N

I

E

E

-

P

E

D

S

R

S

N

K

A

G

D

A

P

G

G

Q

Q

I

I

E

D

E

E

F

F

L

L

M

K

Q

D

F

H

N

Q

G

G

E

A

G

G

I

V

Q

Q

H
|
H

V

I

A

A

F

F

L

N

S

S

D

N

D

D

L

A

I

V

K

R

T

A

W

V

D

K

H

A

L

L

K

S

K

E

I

R

G

G

M

V

R

E

F

F

M

L

T

K

A

T

P

P

P

G

D

-

T

A

Y

Y

Y

Y

E

D

M

L

L

L

E

G

G

E

R

R

L

I

P

T

N

L

H

Q

G

T

E

H

P

S

V

L

N

D

E

D

L

L

Q

R

A

A

R

T

G

N

I

V

L

L

L

A

D

D

G

-

S

-

S

E

E

D

A

H

G

G

D

G

K

Q

R

-

L

-

L

L

L

F

Q
|
Q

I

I

F

F

S

T

E

A

T

S

L

T

-

H

-

P

M

R

G

H

P

T

V

I

F

F

F

F

E

E

F

V

I

I

Q

E

R

R

K

Q

G

G

D

A

D

G

G

T

F

F

G

G

E

S

G

S

N

N

F

I

K

K

A

A

L

L

F

Y

E

E

S

A

I

V

E

E

S201 (= S202) binding
T214 (≠ P215) binding
H241 (= H241) binding
Q305 (= Q310) binding

2r5vA Hydroxymandelate synthase crystal structure (see paper)
30% identity, 88% coverage: 31:346/358 of query aligns to 28:341/346 of 2r5vA

query
sites
2r5vA

F

F

E

A

I

V

M

A

G

G

F

T

T

S

K

R

V

S

A

A

T

D

H

H

R

R

S

S

K

I

D

A

V

L

H

-

L

-

Y

-

R

R

Q

Q

G

G

Q

Q

I

V

N

T

L

L

I

V

L

L

N

T

-

E

-

P

-

T

N

S

E

D

P

R

H

H

S

P

V

A

A

A

S

A

Y

Y

F

L

A

Q

A

T

E

-

H

H

G

G

P

D

S

G

V

V

C

A

G

D

M

I

A

A

F

M

R

A

V

T

K

S

D

D

S

V

Q

A

K

A

A

A

Y

Y

K

E

R

A

A

A

L

V

E

R

L

A

G

G

A

A

Q

E

P

A

I

V

H

R

I

A

E

P

-

G

T

Q

G

H

P

S

M

A

E

A

L

V

N

T

L

T

P

A

A

T

I

I

K

G

G

G

I

F

G

G

G

D

A

V

P

V

L

H

Y

T

L

L

I

I

D

Q

R

R

F

D

G

G

E

T

G

S

S

A

S

E

I

L

Y

-

D

P

I

P

D

G

F

F

V

T

F

G

I

S

E

M

G

D

V

V

D

T

R

N

H

H

P

G

V

K

G

G

-

D

A

V

G

D

L

L

K

L

I

G

I

I

D

D

H
|
H

L

F

T

A

H

I

N

C

V

L

Y

N

R

A

G

G

R

D

M

L

A

G

Y

P

W

T

A

V

N

E

F

Y

Y

Y

E

E

K

R

L

A

F

L

N

G

F

F

R

R

E

Q

I

I

R
x
F

Y

D

F

E

D

H

I

I

K

V

G

V

E

G

Y

A

T

Q

G

A

L

M

T

N

S
|
S

K

T

A
x
V

M

V

T

Q

A

S

P

A

D

S

G

G

M

A

I

V

R

T

I

L

P
x
T

L

L

N

I

E

E

-

P

E

D

S

R

S

N

K

A

G

D

A

P

G

G

Q

Q

I

I

E

D

E

E

F

F

L

L

M

K

Q

D

F

H

N

Q

G

G

E

A

G

G

I

V

Q

Q

H
|
H

V

I

A

A

F

F

L

N

S

S

D

N

D

D

L

A

I

V

K

R

T

A

W

V

D

K

H

A

L

L

K

S

K

E

I

R

G

G

M

V

R

E

F

F

M

L

T

K

A

T

P

P

P

G

D

-

T

A

Y

Y

Y

Y

E

D

M

L

L

L

E

G

G

E

R

R

L

I

P

T

N

L

H

Q

G

T

E

H

P

S

V

L

N

D

E

D

L

L

Q

R

A

A

R

T

G

N

I

V

L

L

L

A

D

D

G

-

S

-

S

E

E

D

A

H

G

G

D

G

K

Q

R

-

L

-

L

L

L

F

Q
|
Q

I

I

F

F

S

T

E

A

T

S

L

T

-

H

-

P

M

R

G

H

P

T

V

I

F

F

F

F

E
|
E

F

V

I

I

Q

E

R

R

K

Q

G

G

D

A

D

G

G

T

F
|
F

G

G

E

S

G

S

N

N

F
x
I

K

K

A

A

L

L

F

Y

E

E

S

A

I

V

E

E

binding cobalt (ii) ion: H159 (= H162), H239 (= H241), E318 (= E323)
binding (2S)-hydroxy(4-hydroxyphenyl)ethanoic acid: H159 (= H162), F186 (≠ R189), S199 (= S202), V201 (≠ A204), T212 (≠ P215), H239 (= H241), Q303 (= Q310), E318 (= E323), F328 (= F333), I333 (≠ F338)

7yvvA Acmp1, r-4-hydroxymandelate synthase
30% identity, 79% coverage: 68:349/358 of query aligns to 64:334/335 of 7yvvA

query
sites
7yvvA

S

T

Y

A

F

Y

A

V

A

D

E

R

H

H

G

G

P

D

S

G

V

V

C

S

G

D

M

I

A

A

F

L

R

R

V

V

K

T

D

D

S

A

Q

K

K

A

A

A

Y

F

K

E

R

E

A

A

L

V

E

A

L

R

G

G

A

A

Q

R

P

P

I

V

H

-

I

-

E

-

T

A

G

G

P

P

M

S

E

R

L

A

N

G

L

H

P

V

A

V

I

T

K

A

G

S

I

I

G

M

G

G

A

-

P

-

L

-

Y

-

L

-

I

-

D

-

R

-

F

F

G

G

E

-

G

-

S

-

S

-

I

-

Y

-

D

D

I

T

D

L

F

H

V

T

F

F

I

V

E

E

G

Y

V

P

D

D

R

G

H

P

P

P

V

A

-

P

-

I

-

A

-

V

-

N

-

A

-

E

-

E

-

P

G

G

A

A

G

L

L

L

K

E

I

I

I

-

D

D

H
|
H

L

F

T

A

H

V

N

C

V

V

Y

E

R

H

G

G

R

H

M

L

A

D

Y

A

W

T

A

V

N

D

F

F

Y

Y

E

R

K

D

L

V

F

L

N

G

F

F

R

E

E

L

I

I

R

F

Y

A

F

E

D

T

I

I

K

A

G

V

E

G

Y

S

T

Q

G

A

L

M

T

T

S

T

K

K

A

V

M

V

T

Q

A

S

P

K

D

S

G

G

M

S

I

V

R

T

I

F

P

T

L

L

N

I

E

E

-

P

E

D

S

T

S

S

K

K

G

D

A

P

G

G

Q

H

I

I

E

D

E

D

F

F

L

L

M

K

Q

D

F

H

N

G

G

G

E

A

G

G

I

V

Q

Q

H
|
H

V

I

A

A

F

F

L

T

S

S

D

N

D

G

L

I

I

I

K

E

T

A

W

V

D

D

H

V

L

L

K

R

K

D

I

R

G

G

M

V

R

E

F

F

M

M

T

G

A

T

P

P

P

A

D

S

T

Y

Y

Y

Y

A

E

D

M

L

L

L

E

Q

G

R

R

V

L

V

P

P

N

E

H

Q

G

-

E

Y

P

S

V

V

N

P

E

E

L

L

Q

R

A

T

R

Q

G

Q

I

V

L

L

L

V

D

D

G

E

S

D

S

H

E

D

A

G

G

-

D

-

K

-

R

-

L

Q

L

L

L

Y

Q

Q

I

I

F

F

S

A

E

R

T

S

L

V

-

H

-

P

M

R

G

N

P

T

V

I

F

F

F

L

E
|
E

F

L

I

I

Q

E

R

R

K

L

G

G

D

A

D

R

G

G

F

F

G

G

E

S

G

G

N

N

F

I

K

T

A

A

L

L

F

Y

E

Q

S

A

I

A

E

E

R

R

D

Q

Q

R

binding fe (iii) ion: H149 (= H162), H229 (= H241), E308 (= E323)

P93836 4-hydroxyphenylpyruvate dioxygenase; 4-hydroxyphenylpyruvic acid oxidase; 4HPPD; HPD; HPPDase; EC 1.13.11.27 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
29% identity, 79% coverage: 64:346/358 of query aligns to 125:432/445 of P93836

query
sites
P93836

H

H

S

G

V

S

A

C

S

R

Y

S

F

F

A

F

A

S

E

S

H

H

G

G

P

L

S

G

V

V

C

R

G

A

M

V

A

A

F

I

R

E

V

V

K

E

D

D

S

A

Q

E

K

S

A

A

Y

F

K

S

R

I

A

S

L

V

E

A

L

N

G

G

A

A

Q

I

P

P

I

-

H

-

I

-

E

S

T

S

G

P

P

P

M

I

E

V

L

L

N

N

-

E

-

A

-

V

-

T

L

I

P

A

A

E

I

V

K

K

G

L

I

Y

G

G

G

D

A

V

P

V

L

L

Y

R

L

Y

I

V

D

S

R

Y

F

K

G

A

E

E

G

D

S

T

-

E

-

K

S

S

I

E

Y

F

D

L

I

P

D

G

F

F

V

E

F

R

I

V

E

E

G

D

V

A

D

S

R

S

H

F

P

P

V

L

G

D

A

Y

G

G

L

I

K

R

I

R

I

L

D

D

H
|
H

L

A

T

V

H

G

N

N

V

V

Y

P

R

E

-

L

G

G

R

P

M

A

A

L

Y

T

W

Y

A

V

N

A

F

G

Y

F

E

T

K

G

L

F

F

H

N

Q

F

F

R

A

E

E

I

F

R

T

Y

A

F

D

D

D

I

V

K

G

G

T

E

A

Y

E

T

S

G

G

L

L

T

N

S

S

K

A

A

V

M

L

T

A

A

S

P

N

D

D

G

E

M

M

I

V

R

L

I

L

P

P

L

I

N

N

E

E

-

P

-

V

E

H

S

G

S

T

K

K

G

R

A

K

G

S

Q

Q

I

I

E

Q

E

T

F

Y

L

L

M

E

Q

H

F

N

N

E

G

G

E

A

G

G

I

L

Q

Q

H
|
H

V

L

A

A

F

L

L

M

S

S

D

E

D

D

L

I

I

F

K

R

T

T

W

L

D

R

H

E

L

M

K

R

K

K

I

R

-

S

-

S

-

I

-

G

G

G

M

F

R

D

F

F

M

M

T

P

A

S

P

P

P

P

D

P

T

T

Y

Y

Y

Y

E

Q

M

N

L

L

E

K

G

K

R

R

L

V

P

G

N

D

-

V

-

L

H

S

G

D

E

D

P

Q

V

I

N

K

E

E

L

C

Q

E

A

E

R

L

G

G

I

I

L

L

L

V

D

D

G

-

S

-

S

-

E

-

A

R

G

D

D

D

K

Q

R

G

L

T

L

L

L

L

Q

Q

I

I

F

F

S

T

E

K

T

P

L

L

-

G

-

D

M

R

G

P

P

T

V

I

F

F

F

I

E
|
E

F

I

I

I

Q

Q

R

R

K

V

G

G

-

C

-

M

-

M

D

K

D

D

G

E

F

E

G

G

E

K

G

A

-

Y

-

Q

-

S

-

G

-

G

-

C

-

G

-

G

-

F

-

G

-

K

-

G

N

N

F

F

K

S

A

E

L

L

F

F

E

K

S

S

I

I

E

E

H226 (= H162) binding
H308 (= H241) binding
E394 (= E323) binding

7x8iA Crystal structure of athppd-shikonin complex (see paper)
29% identity, 79% coverage: 64:346/358 of query aligns to 91:376/380 of 7x8iA

query
sites
7x8iA

H

H

S

G

V

S

A

C

S

R

Y

S

F

F

A

F

A

S

E

S

H

H

G

G

P

L

S

G

V

V

C

R

G

A

M

V

A

A

F

I

R

E

V

V

K

E

D

D

S

A

Q

E

K

S

A

A

Y

F

K

S

R

I

A

S

L

V

E

A

L

N

G

G

A

A

Q

I

P

P

I

-

H

-

I

-

E

S

T

S

G

P

P

P

M

I

E

V

L

L

N

N

L

E

P

A

A

V

I

T

K

-

G

-

I

I

G

A

G

E

A

V

P

K

L

L

Y

Y

-

G

-

D

L

V

I

V

D

L

R

R

F

Y

G

V

E

S

G

Y

S

K

S

A

I

E

Y

F

D

L

I

P

D

G

F

F

V

E

F

R

I

V

E

E

G

D

V

A

D

S

R

S

H

F

P

P

V

L

G

D

A

Y

G

G

L

I

K

R

I

R

I

L

D

D

H
|
H

L

A

T

V

H

G

N

N

V

V

Y

P

R

E

-

L

-

G

G

P

R

A

M

L

A

T

Y

Y

W

V

A

A

N

G

F

F

Y

T

E

G

K

-

L

-

F

-

N

-

F

-

R

-

E

-

I

-

R

-

Y

-

F

F

D

H

I

Q

K

F

G

A

E

E

Y

F

T

S

G

G

L
|
L

T

N

S

S

K

A

A

V

M

L

T

A

A

S

P

N

D

D

G

E

M

M

I

V

R

L

I

L

P

P

L

I

N

N

E

E

-

P

-

V

E

H

S

G

S

T

K

K

G

R

A

K

G

S

Q
|
Q

I

I

E

Q

E

T

F

Y

L

L

M

E

Q

H

F

N

N

E

G

G

E

A

G

G

I

L

Q

Q

H
|
H

V

L

A

A

F

L

L

M

S

S

D

E

D

D

L

I

I

F

K

R

T

T

W

L

D

R

H

E

L

M

K

R

K

K

I

R

-

S

-

S

-

I

-

G

G

G

M

F

R

D

F

F

M

M

T

P

A

S

P

P

P

P

D

P

T

T

Y

Y

Y

Y

E

Q

M

N

L

L

E

K

G

K

R

R

L

V

P

G

N

D

-

V

-

L

H

S

G

D

E

D

P

Q

V

I

N

K

E

E

L

C

Q

E

A

E

R

L

G

G

I

I

L

L

L

V

D

D

G

-

S

-

S

-

E

-

A

R

G

D

D

D

K

Q

R

G

L

T

L

L

L

L

Q

Q

I

I

F
|
F

S

T

E

K

T

P

L

L

-

G

-

D

M

R

G

P

P

T

V

I

F
|
F

F

I

E
|
E

F

I

I

I

Q

Q

R

R

K

V

G

G

D

C

D

M

G

M

F

Y

G

Q

E

S

-

G

-

G

-

C

-

G

-

G

-
x
F

-

G

-

K

G

G

N

N

F
|
F

K

S

A

E

L

L

F

F

E

K

S

S

I

I

E

E

binding cobalt (ii) ion: H186 (= H162), H259 (= H241), E345 (= E323)
binding 2-[(1R)-4-methyl-1-oxidanyl-pent-3-enyl]-5,8-bis(oxidanyl)naphthalene-1,4-dione: L216 (= L200), Q244 (= Q226), H259 (= H241), F332 (= F312), F343 (= F321), F363 (vs. gap), F368 (= F338)

7x64A Crystal structure of athppd-y18027 complex (see paper)
29% identity, 79% coverage: 64:346/358 of query aligns to 91:376/380 of 7x64A

query
sites
7x64A

H

H

S

G

V

S

A

C

S

R

Y

S

F

F

A

F

A

S

E

S

H

H

G

G

P

L

S

G

V

V

C

R

G

A

M

V

A

A

F

I

R

E

V

V

K

E

D

D

S

A

Q

E

K

S

A

A

Y

F

K

S

R

I

A

S

L

V

E

A

L

N

G

G

A

A

Q

I

P

P

I

-

H

-

I

-

E

S

T

S

G

P

P

P

M

I

E

V

L

L

N

N

L

E

P

A

A

V

I

T

K

-

G

-

I

I

G

A

G

E

A

V

P

K

L

L

Y

Y

-

G

-

D

L

V

I

V

D

L

R

R

F

Y

G

V

E

S

G

Y

S

K

S

A

I

E

Y

F

D

L

I

P

D

G

F

F

V

E

F

R

I

V

E

E

G

D

V

A

D

S

R

S

H

F

P

P

V

L

G

D

A

Y

G

G

L

I

K

R

I

R

I

L

D

D

H
|
H

L

A

T

V

H

G

N

N

V

V

Y

P

R

E

-

L

-

G

G

P

R

A

M

L

A

T

Y

Y

W

V

A

A

N

G

F

F

Y

T

E

G

K

-

L

-

F

-

N

-

F

-

R

-

E

-

I

-

R

-

Y

-

F

F

D

H

I

Q

K

F

G

A

E

E

Y

F

T

S

G

G

L

L

T

N

S
|
S

K

A

A

V

M

L

T

A

A

S

P

N

D

D

G

E

M

M

I

V

R

L

I

L

P
|
P

L

I

N

N

E

E

-

P

-

V

E

H

S

G

S

T

K

K

G
x
R

A

K

G

S

Q
|
Q

I

I

E

Q

E

T

F

Y

L

L

M

E

Q

H

F

N

N

E

G

G

E

A

G

G

I

L

Q

Q

H
|
H

V

L

A

A

F

L

L

M

S

S

D

E

D

D

L

I

I

F

K

R

T

T

W

L

D

R

H

E

L

M

K

R

K

K

I

R

-

S

-

S

-

I

-

G

G

G

M

F

R

D

F

F

M

M

T

P

A

S

P

P

P

P

D

P

T

T

Y

Y

Y

Y

E

Q

M

N

L

L

E

K

G

K

R

R

L

V

P

G

N

D

-

V

-

L

H

S

G

D

E

D

P

Q

V

I

N

K

E

E

L

C

Q

E

A

E

R

L

G

G

I

I

L

L

L

V

D

D

G

-

S

-

S

-

E

-

A

R

G

D

D

D

K

Q

R

G

L

T

L

L

L

L

Q

Q

I

I

F
|
F

S

T

E

K

T

P

L

L

-

G

-

D

M

R

G

P

P

T

V

I

F

F

F

I

E
|
E

F

I

I

I

Q

Q

R

R

K

V

G

G

D

C

D

M

G

M

F

Y

G

Q

E

S

-

G

-

G

-

C

-

G

-

G

-
x
F

-
x
G

-

K

G

G

N
|
N

F
|
F

K

S

A

E

L

L

F

F

E

K

S

S

I

I

E

E

binding 1,5-dimethyl-6-(2-oxidanyl-6-oxidanylidene-cyclohexen-1-yl)carbonyl-3-(phenylmethyl)quinazoline-2,4-dione: H186 (= H162), S218 (= S202), P231 (= P215), R241 (≠ G223), Q244 (= Q226), H259 (= H241), F332 (= F312), F363 (vs. gap), G364 (vs. gap), N367 (= N337), F368 (= F338)
binding cobalt (ii) ion: H186 (= H162), H259 (= H241), E345 (= E323)

7x5sA Crystal structure of athppd-y14157 complex
29% identity, 79% coverage: 64:346/358 of query aligns to 91:376/380 of 7x5sA

query
sites
7x5sA

H

H

S

G

V

S

A

C

S

R

Y

S

F

F

A

F

A

S

E

S

H

H

G

G

P

L

S

G

V

V

C

R

G

A

M

V

A

A

F

I

R

E

V

V

K

E

D

D

S

A

Q

E

K

S

A

A

Y

F

K

S

R

I

A

S

L

V

E

A

L

N

G

G

A

A

Q

I

P

P

I

-

H

-

I

-

E

S

T

S

G

P

P

P

M

I

E

V

L

L

N

N

L

E

P

A

A

V

I

T

K

-

G

-

I

I

G

A

G

E

A

V

P

K

L

L

Y

Y

-

G

-

D

L

V

I

V

D

L

R

R

F

Y

G

V

E

S

G

Y

S

K

S

A

I

E

Y

F

D

L

I

P

D

G

F

F

V

E

F

R

I

V

E

E

G

D

V

A

D

S

R

S

H

F

P

P

V

L

G

D

A

Y

G

G

L

I

K

R

I

R

I

L

D

D

H
|
H

L

A

T

V

H

G

N

N

V

V

Y

P

R

E

-

L

-

G

G

P

R

A

M

L

A

T

Y

Y

W

V

A

A

N

G

F

F

Y

T

E

G

K

-

L

-

F

-

N

-

F

-

R

-

E

-

I

-

R

-

Y

-

F

F

D

H

I

Q

K

F

G

A

E

E

Y

F

T

S

G

G

L

L

T

N

S

S

K

A

A

V

M

L

T

A

A

S

P

N

D

D

G

E

M

M

I

V

R

L

I

L

P
|
P

L

I

N

N

E

E

-

P

-

V

E

H

S

G

S

T

K

K

G

R

A

K

G

S

Q

Q

I

I

E

Q

E

T

F

Y

L

L

M

E

Q

H

F

N

N

E

G

G

E

A

G

G

I

L

Q

Q

H
|
H

V

L

A

A

F

L

L

M

S

S

D

E

D

D

L

I

I

F

K

R

T

T

W

L

D

R

H

E

L

M

K

R

K

K

I

R

-

S

-

S

-

I

-

G

G

G

M

F

R

D

F

F

M

M

T

P

A

S

P

P

P

P

D

P

T

T

Y

Y

Y

Y

E

Q

M

N

L

L

E

K

G

K

R

R

L

V

P

G

N

D

-

V

-

L

H

S

G

D

E

D

P

Q

V

I

N

K

E

E

L

C

Q

E

A

E

R

L

G

G

I

I

L

L

L

V

D

D

G

-

S

-

S

-

E

-

A

R

G

D

D

D

K

Q

R

G

L

T

L

L

L

L

Q

Q

I

I

F
|
F

S

T

E

K

T

P

L

L

-

G

-

D

M

R

G

P

P

T

V

I

F
|
F

F

I

E
|
E

F

I

I

I

Q

Q

R

R

K

V

G

G

D

C

D

M

G

M

F

Y

G

Q

E

S

-

G

-

G

-

C

-

G

-

G

-
x
F

-

G

-
x
K

G

G

N
|
N

F
|
F

K

S

A

E

L

L

F

F

E

K

S

S

I

I

E

E

binding 2-methyl-4-(2-nitro-4-piperidin-1-yl-phenyl)carbonyl-5-phenyl-1H-pyrazol-3-one: H186 (= H162), P231 (= P215), H259 (= H241), F332 (= F312), F343 (= F321), F363 (vs. gap), K365 (vs. gap), N367 (= N337), F368 (= F338)
binding cobalt (ii) ion: H186 (= H162), H259 (= H241), E345 (= E323)

7ezqA Complex structure of athppd with inhibitor y15832
29% identity, 79% coverage: 64:346/358 of query aligns to 91:376/382 of 7ezqA

query
sites
7ezqA

H

H

S

G

V

S

A

C

S

R

Y

S

F

F

A

F

A

S

E

S

H

H

G

G

P

L

S

G

V

V

C

R

G

A

M

V

A

A

F

I

R

E

V

V

K

E

D

D

S

A

Q

E

K

S

A

A

Y

F

K

S

R

I

A

S

L

V

E

A

L

N

G

G

A

A

Q

I

P

P

I

-

H

-

I

-

E

S

T

S

G

P

P

P

M

I

E

V

L

L

N

N