SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing PP_3365 FitnessBrowser__Putida:PP_3365 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)

4rjkE Acetolactate synthase from bacillus subtilis bound to lthdp - crystal form ii (see paper)
34% identity, 98% coverage: 3:540/547 of query aligns to 2:544/552 of 4rjkE

query
sites
4rjkE

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L

binding magnesium ion: D437 (= D433), D464 (= D460), T466 (≠ G462)
binding pyruvic acid: Q473 (≠ K469), K477 (≠ M473)
binding thiamine diphosphate: I22 (= I23), P23 (= P24), E47 (= E48), T70 (= T71), P73 (= P74), I384 (≠ N380), G385 (= G381), S386 (≠ I382), H387 (≠ Y383), Q410 (≠ A406), L412 (≠ M408), G436 (= G432), D437 (= D433), G438 (= G434), G439 (= G435), D464 (= D460), T466 (≠ G462), Y467 (= Y463), D468 (≠ G464), M469 (= M465), V470 (≠ I466), Y533 (= Y529)

4rjiC Acetolactate synthase from bacillus subtilis bound to thdp - crystal form i (see paper)
34% identity, 98% coverage: 3:540/547 of query aligns to 3:545/555 of 4rjiC

query
sites
4rjiC

K

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A

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A

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binding magnesium ion: D438 (= D433), D465 (= D460), T467 (≠ G462)
binding thiamine diphosphate: I23 (= I23), P24 (= P24), E48 (= E48), T71 (= T71), P74 (= P74), G75 (= G75), Q111 (= Q111), I385 (≠ N380), G386 (= G381), S387 (≠ I382), H388 (≠ Y383), Q411 (≠ A406), L413 (≠ M408), G437 (= G432), D438 (= D433), G439 (= G434), G440 (= G435), D465 (= D460), T467 (≠ G462), Y468 (= Y463), D469 (≠ G464), M470 (= M465), V471 (≠ I466), Y534 (= Y529)

4rjkG Acetolactate synthase from bacillus subtilis bound to lthdp - crystal form ii (see paper)
34% identity, 98% coverage: 3:540/547 of query aligns to 2:544/553 of 4rjkG

query
sites
4rjkG

K

R

A

G

A

A

D

E

V

L

V

V

Q

D

C

C

L

L

E

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N

E

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H

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F

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x
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T

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G

G

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G
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G

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N

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A

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V

A

Q

S

D

A

V

D

K

N

N

I

I

P

P

A

E

R

A

M

V

R

T

E

N

A

A

F

F

R

R

L

I

A

A

E

S

E

A

E

G

K

Q

P

A

G

G

A

A

V

A

H

F

L

V

E

S

L

F

P

P

E

Q

D

D

I

V

A

V

A

N

E

E

Q

V

T

T

D

N

A

T

L

K

P

N

I

V

P

-

R

R

S

A

L

V

H

A

R

A

R

P

P

K

L

L

A

G

-

P

-

A

E

A

H

D

V

D

A

A

I

I

E

S

A

A

V

I

E

A

K

K

L

I

Q

Q

N

T

A

A

R

K

N

L

P

P

I

V

L

V

V

L

I

V

G

G

A

M

G

K

A

G

N

G

R

R

K

P

M

E

T

A

A

I

K

K

V

A

L

V

K

R

Q

K

L

L

I

L

D

K

K

K

T

V

G

Q

I

L

P

P

F

F

I

V

T

E

T

T

Q

Y

M

Q

G

A

K

A

G

G

V

T

V

L

D

S

-

R

E

D

R

L

H

E

P

D

R

Q

F

Y

L

F

G

G

N

R

A

I

A

G

L

L

-

F

-

R

-

N

S

Q

S

P

G

G

D

D

F

L

V

L

H

-

R

-

A

-

V

L

E

E

A

Q

A

A

D

D

L

V

I

V

I

L

N

T

I

I

G

G

H

Y

D

D

V

P

I

I

E

E

-

Y

K

D

P

P

P

K

F

F

F

W

M

N

V

I

R

N

G

G

G

D

T

R

E

T

V

I

I

I

H

H

I

L

N

D

F

E

R

I

S

I

A

A

E

D

V

I

D

D

A

H

V

A

Y

Y

F

Q

P

P

Q

D

V

L

E

E

V

L

I

I

G

G

D

D

I

I

A

P

N

S

A

T

V

I

W

N

Q

H

I

I

S

E

E

-

A

-

L

-

N

H

D

D

T

A

S

V

H

K

W

V

D

E

F

F

T

A

-

E

R

R

L

E

M

Q

A

K

I

I

R

L

E

S

A

D

N

L

E

K

A

Q

Q

Y

I

M

A

H

E

E

G
|
G

-

E

-
x
Q

-

V

-

P

A

A

D

D

D

W

D

K

R

S

F

D

P

R

V

A

Y
x
H

P

P

Q

L

R

E

M

I

V

V

A

K

D

E

I

L

R

R

R

N

V

A

L

V

P

D

S

D

E

H

G

V

I

T

V

V

A

T

L

C

D

D

N
x
I

G
|
G

I
x
S

Y
x
H

K

A

I

I

W
|
W

F

M

A

S

R

R

N

Y

Y

F

K

R

A

S

H

Y

K

E

P

P

N

L

T

T

V

L

L

M

L

I

D

S

N

N

A

G

L

M

A
x
Q

T

T

M
x
L

G

G

A

V

G

A

L

L

P

P

S

W

A

A

M

I

A

G

A

A

H

S

L

L

V

V

H

K

P

P

D

G

R

E

P

K

V

V

I

V

S

S

V

V

C

S

G
|
G

D
|
D

G
|
G

F

F

M

L

M

F

N

S

S

A

Q

M

E

E

L

L

E

E

T

T

A

A

V

V

R

R

L

L

G

K

M

A

H

P

I

I

T

V

V

H

V

I

I

V

L

W

R

N

D
|
D

D

S

G
x
T

Y
|
Y

G
x
D

M
|
M

I
x
V

R

A

W

F

K

Q

Q

Q

A

L

N

K

M

K

G

Y

F

N

T

R

D

T

F

S

G

A

L

V

D

D

Y

F

G

G

N

N

P

I

D

D

F

I

V

V

K

K

Y

Y

A

A

E

E

A

S

Y

F

G

G

A

A

N

T

G

G

H

L

R

R

V

V

E

E

S

S

A

P

E

D

G

Q

L

L

L

A

P

D

L

V

L

L

E

R

H

Q

C

G

I

M

K

N

T

A

P

E

G

G

V

P

H

V

V

I

I

I

D

D

C

V

P

P

V

V

D

D

Y
|
Y

S

S

E
x
D

N

N

D

I

R

N

I

L

L

A

N

S

S

D

E

K

L

L

binding magnesium ion: D437 (= D433), D464 (= D460), T466 (≠ G462)
binding pyruvic acid: G349 (= G349), Q351 (vs. gap), H362 (≠ Y358), W390 (= W386), D535 (≠ E531)
binding 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(1-carboxy-1-hydroxyethyl)-5-(2-{[hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium: I22 (= I23), P23 (= P24), A25 (≠ E26), E47 (= E48), T70 (= T71), P73 (= P74), G74 (= G75), Q110 (= Q111)
binding thiamine diphosphate: I384 (≠ N380), G385 (= G381), S386 (≠ I382), H387 (≠ Y383), Q410 (≠ A406), L412 (≠ M408), G436 (= G432), D437 (= D433), G438 (= G434), G439 (= G435), D464 (= D460), T466 (≠ G462), Y467 (= Y463), D468 (≠ G464), M469 (= M465), V470 (≠ I466), Y533 (= Y529)

5d6rB Acetolactate synthase from klebsiella pneumoniae in complex with mechanism-based inhibitor
35% identity, 97% coverage: 2:532/547 of query aligns to 5:538/548 of 5d6rB

query
sites
5d6rB

A

A

K

H

A

G

A

A

D

D

V

L

V

V

Q

S

C

Q

L

L

E

E

N

A

E

Q

G

G

V

V

E

R

Y

Q

V

V

F

F

G

G

I
|
I

P

P

G
|
G

E
x
A

E
x
K

N
x
I

L

D

D

K

L

V

L

F

E

D

S

S

L

L

R

L

K

D

S

S

K

S

I

I

K

R

L

I

V

I

L

P

T

V

R

R

H

H

E
|
E

Q

A

S

N

A

A

G

A

F

F

M

M

A

A

T

A

Y

V

G

G

R
|
R

L

I

T

T

G

G

K

K

T

A

G

G

V

V

S

A

L

L

S

V

T
|
T

L

S

G

G

P

P

G

G

A

C

T

S

N

N

L

L

V

I

T

T

A

G

S

M

A

A

Y

T

A

A

Y

N

L

S

G

E

G

G

M

D

P

P

M

V

M

A

I

L

T

G

G

G

Q

A

-

V

K

K

P

R

I

A

K

D

K

K

S

A

K

K

Q

Q

G

-

R

V

F
x
H

Q
|
Q

I
x
S

I

M

D

D

V

T

C

V

G

A

M

M

M

F

D

S

P

P

I

V

T

T

K

K

Y

Y

T

A

H

I

Q

E

F

V

A

T

S

A

A

P

D

D

N

A

I

L

P

A

A

E

R

V

M

V

R

S

E

N

A

A

F

F

R

R

L

A

A

A

E

E

E

Q

E

G

K

R

P

P

G

G

A

S

V

A

H

F

L

V

E

S

L

L

P

P

E
x
Q

D

D

I

V

A

V

A

D

E

G

Q

P

T

V

D

S

A

G

L

K

P

V

I

L

P

P

R

A

S

S

L

-

H

P

R

Q

R

M

P

G

L

A

A

A

E

P

H

D

V

D

A

A

I

I

E

D

A

Q

A

V

V

A

E

K

K

L

L

I

Q

A

N

Q

A

A

R

K

N

N

P

P

I

I

L

F

V

L

I

L

G

G

A

L

G

M

A

A

N

S

R
x
Q

K

P

M

E

T

N

A

S

K

K

V

A

L

L

K

R

Q

R

L

L

I

L

D

E

K

T

T

S

G

H

I

I

P

P

F

V

I

T

T

S

T

T

Q

Y

M

Q

G

A

K

A

G

G

V

A

V

V

D

N

E

Q

R

D

H

N

-

F

P

S

R

R

F

F

L

A

G

G

N

R

A

V

A

G

L
|
L

S

F

S

N

G

N

D

Q

F

A

V

G

H

D

R

R

A

L

V

L

E

Q

A

L

A

A

D

D

L

L

I

V

I

I

N

C

I

I

G

G

H

Y

D

S

V

P

I

V

E

E

K

Y

P
x
E

P

P

F

A

F

M

M

W

V

N

R

S

G

G

G

N

T

A

E

T

V

L

I

V

H

H

I

I

N

D

F

V

R

L

S

P

A

A

E

Y

V

E

D

E

A

R

V

N

Y

Y

F

T

P

P

Q

D

V

V

E

E

V

L

I

V

G

G

D

D

I

I

A

A

N

G

A

T

V

L

W

N

Q

K

I

L

S

A

E

Q

A

N

L

I

N

D

D

H

T

R

S

L

H

V

W

L

D

S

F

P

T

Q

R

A

L

A

M

E

A

I

I

L

R

R

E

D

-

R

-

Q

-

H

A

Q

N

R

E

E

A

L

Q

L

I

D

A

R

E

R

G

G

A

A

D

Q

D

L

D

N

R

Q

F

F

P

A

V

L

Y

H

P

P

Q

L

R

R

M

I

V

V

A

R

D

A

I

M

R

Q

R

D

V

I

L

V

P

N

S

S

E

D

G

V

I

T

V

L

A

T

L

V

D

D

N
x
M

G
|
G

I
x
S

Y
x
F

K

H

I

I

W

W

F

I

A

A

R

R

N

Y

Y

L

K

Y

A

S

H

F

K

R

P

A

N

R

T

Q

V

V

L

M

L

I

D

S

N

N

A

G

L

Q

A
x
Q

T

T

M
|
M

G

G

A

V

G

A

L

L

P

P

S

W

A

A

M

I

A

G

A

A

H

W

L

L

V

V

H

N

P

P

D

E

R

R

P

K

V

V

I

V

S

S

V

V

C

S

G
|
G

D
|
D

G
|
G

F

F

M

L

M

Q

N

S

S

S

Q

M

E

E

L

L

E

E

T

T

A

A

V

V

R

R

L

L

G

K

M

A

H

N

I

V

T

L

V

H

V

L

I

I

L

W

R

V

D
|
D

D

N

G
|
G

Y
|
Y

G
x
N

M
|
M

I
x
V

R

A

W

I

K
x
Q

Q

E

A

E

N

K

M

K

G

Y

F

Q

T

R

D

L

F

S

G

G

L

V

D

E

Y

F

G

G

N

P

P

M

D

D

F

F

V

K

K

A

Y

Y

A

A

E

E

A

S

Y

F

G

G

A

A

N

K

G

G

H

F

R

A

V

V

E

E

S

S

A

A

E

E

G

A

L

L

L

E

P

P

L

T

L

L

E

R

H

A

C

A

I

M

K

D

T

V

P

D

G

G

V

P

H

A

V

V

I

V

D

A

C

I

P

P

V

V

D

D

Y
|
Y

S

R

E

D

N

N

active site: I26 (= I23), G28 (= G25), A29 (≠ E26), K30 (≠ E27), I31 (≠ N28), E51 (= E48), T74 (= T71), H113 (≠ F110), Q114 (= Q111), S115 (≠ I112), Q163 (≠ E160), L254 (= L251), E281 (≠ P278), M386 (≠ N380), Q412 (≠ A406), M414 (= M408), D439 (= D433), D466 (= D460), G468 (= G462), Y469 (= Y463), M471 (= M465), V472 (≠ I466), Q475 (≠ K469), Y535 (= Y529)
binding 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-[(Z)-2-fluoro-1-hydroxy-2-phosphonoethenyl]-5-(2-{[(S)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-4-methyl-1,3-thiazol-3-ium: M386 (≠ N380), G387 (= G381), S388 (≠ I382), F389 (≠ Y383), Q412 (≠ A406), M414 (= M408), G438 (= G432), D439 (= D433), G440 (= G434), G441 (= G435), D466 (= D460), G468 (= G462), Y469 (= Y463), N470 (≠ G464), M471 (= M465), V472 (≠ I466), Q475 (≠ K469), Y535 (= Y529)
binding magnesium ion: R63 (= R60), Q212 (≠ R210), D439 (= D433), D466 (= D460), G468 (= G462)

1ozgA The crystal structure of klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactor and with an unusual intermediate (see paper)
35% identity, 97% coverage: 2:532/547 of query aligns to 6:541/549 of 1ozgA

query
sites
1ozgA

A

A

K

H

A

G

A

A

D

D

V

L

V

V

Q

S

C

Q

L

L

E

E

N

A

E

Q

G

G

V

V

E

R

Y

Q

V

V

F

F

G

G

I
|
I

P

P

G
|
G

E
x
A

E
x
K

N
x
I

L

D

D

K

L

V

L

F

E

D

S

S

L

L

R

L

K

D

S

S

K

S

I

I

K

R

L

I

V

I

L

P

T

V

R

R

H

H

E
|
E

Q

A

S

N

A

A

G

A

F

F

M

M

A

A

T

A

Y

V

G

G

R

R

L

I

T

T

G

G

K

K

T

A

G

G

V

V

S

A

L

L

S

V

T
|
T

L

S

G

G

P

P

G

G

A

C

T

S

N

N

L

L

V

I

T

T

A

G

S

M

A

A

Y

T

A

A

Y

N

L

S

G

E

G

G

M

D

P

P

M

V

M

A

I

L

T

G

G

G

Q

A

-

V

K

K

P

R

I

A

K

D

K

K

S

A

K

K

Q

Q

G

-

R

V

F
x
H

Q
|
Q

I
x
S

I

M

D

D

V

T

C

V

G

A

M

M

M

F

D

S

P

P

I

V

T

T

K

K

Y

Y

T

A

H

I

Q

E

F

V

A

T

S

A

A

P

D

D

N

A

I

L

P

A

A

E

R

V

M

V

R

S

E

N

A

A

F

F

R

R

L

A

A

A

E

E

E

Q

E

G

K

R

P

P

G

G

A

S

V

A

H

F

L

V

E

S

L

L

P

P

E
x
Q

D

D

I

V

A

V

A

D

E

G

Q

P

T

V

D

S

A

G

L

K

P

V

I

L

P

P

R

A

S

S

-

G

L

A

H

P

R

Q

R

M

P

G

L

A

A

A

E

P

H

D

V

D

A

A

I

I

E

D

A

Q

A

V

V

A

E

K

K

L

L

I

Q

A

N

Q

A

A

R

K

N

N

P

P

I

I

L

F

V

L

I

L

G

G

A

L

G

M

A

A

N

S

R

Q

K

P

M

E

T

N

A

S

K

K

V

A

L

L

K

R

Q

R

L

L

I

L

D

E

K

T

T

S

G

H

I

I

P

P

F

V

I

T

T

S

T

T

Q

Y

M

Q

G

A

K

A

G

G

V

A

V

V

D

N

E

Q

R

D

H

N

-

F

P

S

R

R

F

F

L

A

G
|
G

N
x
R

A

V

A

G

L
|
L

S

F

S

N

G

N

D
x
Q

F

A

V

G

H

D

R

R

A

L

V

L

E

Q

A

L

A

A

D

D

L

L

I

V

I

I

N

C

I

I

G

G

H

Y

D

S

V

P

I

V

E

E

K

Y

P
x
E

P

P

F

A

F

M

M

W

V

N

R

S

G

G

G

N

T

A

E

T

V

L

I

V

H

H

I

I

N

D

F

V

R

L

S

P

A

A

E

Y

V

E

D

E

A

R

V

N

Y

Y

F

T

P

P

Q

D

V

V

E

E

V

L

I

V

G

G

D

D

I

I

A

A

N

G

A

T

V

L

W

N

Q

K

I

L

S

A

E

Q

A

N

L

I

N

D

D

H

T

R

S

L

H

V

W

L

D

S

F

P

T

Q

R

A

L

A

M

E

A

I

I

L

R

R

E

D

-
x
R

-

Q

-

H

A

Q

N

R

E

E

A

L

Q

L

I

D

A

R

E

R

G

G

A

A

D

Q

D

L

D

N

R

Q

F

F

P

A

V

L

Y

H

P

P

Q

L

R

R

M

I

V

V

A

R

D

A

I

M

R

Q

R

D

V

I

L

V

P

N

S

S

E

D

G

V

I

T

V

L

A

T

L

V

D

D

N
x
M

G
|
G

I
x
S

Y
x
F

K

H

I

I

W

W

F

I

A

A

R
|
R

N

Y

Y
x
L

K
x
Y

A

T

H

F

K

R

P

A

N

R

T

Q

V

V

L

M

L

I

D

S

N

N

A

G

L

Q

A
x
Q

T
|
T

M
|
M

G

G

A

V

G

A

L

L

P

P

S

W

A

A

M

I

A

G

A

A

H

W

L

L

V

V

H

N

P

P

D

E

R

R

P

K

V

V

I

V

S

S

V

V

C

S

G
|
G

D
|
D

G
|
G

F

F

M

L

M

Q

N

S

S

S

Q

M

E

E

L

L

E

E

T

T

A

A

V

V

R

R

L

L

G

K

M

A

H

N

I

V

T

L

V

H

V

L

I

I

L

W

R

V

D
|
D

D

N

G
|
G

Y
|
Y

G
x
N

M
|
M

I
x
V

R

A

W

I

K
x
Q

Q

E

A

E

N

K

M

K

G

Y

F

Q

T

R

D

L

F

S

G

G

L

V

D

E

Y

F

G

G

N

P

P

M

D

D

F

F

V

K

K

A

Y

Y

A

A

E

E

A

S

Y

F

G

G

A

A

N

K

G

G

H

F

R

A

V

V

E

E

S

S

A

A

E

E

G

A

L

L

L

E

P

P

L

T

L

L

E

R

H

A

C

A

I

M

K

D

T

V

P

D

G

G

V

P

H

A

V

V

I

V

D

A

C

I

P

P

V

V

D

D

Y
|
Y

S

R

E

D

N

N

active site: I27 (= I23), G29 (= G25), A30 (≠ E26), K31 (≠ E27), I32 (≠ N28), E52 (= E48), T75 (= T71), H114 (≠ F110), Q115 (= Q111), S116 (≠ I112), Q164 (≠ E160), L257 (= L251), E284 (≠ P278), M389 (≠ N380), Q415 (≠ A406), M417 (= M408), D442 (= D433), D469 (= D460), G471 (= G462), Y472 (= Y463), M474 (= M465), V475 (≠ I466), Q478 (≠ K469), Y538 (= Y529)
binding 2-hydroxyethyl dihydrothiachrome diphosphate: M389 (≠ N380), G390 (= G381), S391 (≠ I382), F392 (≠ Y383), Q415 (≠ A406), T416 (= T407), M417 (= M408), G441 (= G432), D442 (= D433), G443 (= G434), G444 (= G435), D469 (= D460), G471 (= G462), Y472 (= Y463), N473 (≠ G464), M474 (= M465), V475 (≠ I466), Y538 (= Y529)
binding magnesium ion: D442 (= D433), D469 (= D460), G471 (= G462)
binding phosphate ion: G253 (= G247), R254 (≠ N248), Q261 (≠ D255), R347 (vs. gap), R398 (= R389), L400 (≠ Y391), Y401 (≠ K392)

1ozfA The crystal structure of klebsiella pneumoniae acetolactate synthase with enzyme-bound cofactors (see paper)
35% identity, 97% coverage: 2:532/547 of query aligns to 5:537/545 of 1ozfA

query
sites
1ozfA

A

A

K

H

A

G

A

A

D

D

V

L

V

V

Q

S

C

Q

L

L

E

E

N

A

E

Q

G

G

V

V

E

R

Y

Q

V

V

F

F

G

G

I
|
I

P

P

G
|
G

E
x
A

E
x
K

N
x
I

L

D

D

K

L

V

L

F

E

D

S

S

L

L

R

L

K

D

S

S

K

S

I

I

K

R

L

I

V

I

L

P

T

V

R

R

H

H

E
|
E

Q

A

S

N

A

A

G

A

F

F

M

M

A

A

T

A

Y

V

G

G

R

R

L

I

T

T

G

G

K

K

T

A

G

G

V

V

S

A

L

L

S

V

T
|
T

L

S

G

G

P

P

G

G

A

C

T

S

N

N

L

L

V

I

T

T

A

G

S

M

A

A

Y

T

A

A

Y

N

L

S

G

E

G

G

M

D

P

P

M

V

M

A

I

L

T

G

G

G

Q

A

-

V

K

K

P

R

I

A

K

D

K

K

S

A

K

K

Q

Q

G

-

R

V

F
x
H

Q
|
Q

I
x
S

I

M

D

D

V

T

C

V

G

A

M

M

M

F

D

S

P

P

I

V

T

T

K

K

Y

Y

T

A

H

I

Q

E

F

V

A

T

S

A

A

P

D

D

N

A

I

L

P

A

A

E

R

V

M

V

R

S

E

N

A

A

F

F

R

R

L

A

A

A

E

E

E

Q

E

G

K

R

P

P

G

G

A

S

V

A

H

F

L

V

E

S

L

L

P

P

E
x
Q

D

D

I

V

-

V

-

D

A

G

A

P

E

V

Q

S

T

G

D

K

A

V

L

L

P

P

I

A

P

P

R

-

S

-

L

-

H

-

R

Q

R

M

P

G

L

A

A

A

E

P

H

D

V

D

A

A

I

I

E

D

A

Q

A

V

V

A

E

K

K

L

L

I

Q

A

N

Q

A

A

R

K

N

N

P

P

I

I

L

F

V

L

I

L

G

G

A

L

G

M

A

A

N

S

R

Q

K

P

M

E

T

N

A

S

K

K

V

A

L

L

K

R

Q

R

L

L

I

L

D

E

K

T

T

S

G

H

I

I

P

P

F

V

I

T

T

S

T

T

Q

Y

M

Q

G

A

K

A

G

G

V

A

V

V

D

N

E

Q

R

D

H

N

-

F

P

S

R

R

F

F

L

A

G
|
G

N
x
R

A

V

A

G

L
|
L

S

F

S

N

G

N

D
x
Q

F

A

V

G

H

D

R

R

A

L

V

L

E

Q

A

L

A

A

D

D

L

L

I

V

I

I

N

C

I

I

G

G

H

Y

D

S

V

P

I

V

E

E

K

Y

P
x
E

P

P

F

A

F

M

M

W

V

N

R

S

G

G

G

N

T

A

E

T

V

L

I

V

H

H

I

I

N

D

F

V

R

L

S

P

A

A

E

Y

V

E

D

E

A

R

V

N

Y

Y

F

T

P

P

Q

D

V

V

E

E

V

L

I

V

G

G

D

D

I

I

A

A

N

G

A

T

V

L

W

N

Q

K

I

L

S

A

E

Q

A

N

L

I

N

D

D

H

T

R

S

L

H

V

W

L

D

S

F

P

T

Q

R

A

L

A

M

E

A

I

I

L

R

R

E

D

-
x
R

-

Q

-

H

A

Q

N

R

E

E

A

L

Q

L

I

D

A

R

E

R

G

G

A

A

D

Q

D

L

D

N

R

Q

F

F

P

A

V

L

Y

H

P

P

Q

L

R

R

M

I

V

V

A

R

D

A

I

M

R

Q

R

D

V

I

L

V

P

N

S

S

E

D

G

V

I

T

V

L

A

T

L

V

D

D

N
x
M

G
|
G

I
x
S

Y
x
F

K

H

I

I

W

W

F

I

A

A

R
|
R

N

Y

Y
x
L

K
x
Y

A

T

H

F

K

R

P

A

N

R

T

Q

V

V

L

M

L

I

D

S

N

N

A

G

L

Q

A
x
Q

T
|
T

M
|
M

G

G

A

V

G

A

L

L

P

P

S

W

A

A

M

I

A

G

A

A

H

W

L

L

V

V

H

N

P

P

D

E

R

R

P

K

V

V

I

V

S

S

V

V

C

S

G
|
G

D
|
D

G
|
G

F

F

M

L

M

Q

N

S

S

S

Q

M

E

E

L

L

E

E

T

T

A

A

V

V

R

R

L

L

G

K

M

A

H

N

I

V

T

L

V

H

V

L

I

I

L

W

R

V

D
|
D

D

N

G
|
G

Y
|
Y

G
x
N

M
|
M

I
x
V

R

A

W

I

K
x
Q

Q

E

A

E

N

K

M

K

G

Y

F

Q

T

R

D

L

F

S

G

G

L

V

D

E

Y

F

G

G

N

P

P

M

D

D

F

F

V

K

K

A

Y

Y

A

A

E

E

A

S

Y

F

G

G

A

A

N

K

G

G

H

F

R

A

V

V

E

E

S

S

A

A

E

E

G

A

L

L

L

E

P

P

L

T

L

L

E

R

H

A

C

A

I

M

K

D

T

V

P

D

G

G

V

P

H

A

V

V

I

V

D

A

C

I

P

P

V

V

D

D

Y
|
Y

S

R

E

D

N

N

active site: I26 (= I23), G28 (= G25), A29 (≠ E26), K30 (≠ E27), I31 (≠ N28), E51 (= E48), T74 (= T71), H113 (≠ F110), Q114 (= Q111), S115 (≠ I112), Q163 (≠ E160), L253 (= L251), E280 (≠ P278), M385 (≠ N380), Q411 (≠ A406), M413 (= M408), D438 (= D433), D465 (= D460), G467 (= G462), Y468 (= Y463), M470 (= M465), V471 (≠ I466), Q474 (≠ K469), Y534 (= Y529)
binding magnesium ion: D438 (= D433), D465 (= D460), G467 (= G462)
binding phosphate ion: G249 (= G247), R250 (≠ N248), Q257 (≠ D255), R343 (vs. gap), R394 (= R389), L396 (≠ Y391), Y397 (≠ K392)
binding thiamine diphosphate: M385 (≠ N380), G386 (= G381), S387 (≠ I382), F388 (≠ Y383), Q411 (≠ A406), T412 (= T407), M413 (= M408), G437 (= G432), D438 (= D433), G439 (= G434), G440 (= G435), D465 (= D460), G467 (= G462), Y468 (= Y463), N469 (≠ G464), M470 (= M465), V471 (≠ I466), Y534 (= Y529)

5wdgA Acetolactate synthase from klebsiella pneumoniae in complex with a reaction intermediate
34% identity, 97% coverage: 2:532/547 of query aligns to 6:530/538 of 5wdgA

query
sites
5wdgA

A

A

K

H

A

G

A

A

D

D

V

L

V

V

Q

S

C

Q

L

L

E

E

N

A

E

Q

G

G

V

V

E

R

Y

Q

V

V

F

F

G

G

I
|
I

P

P

G
|
G

E
x
A

E
x
K

N
x
I

L

D

D

K

L

V

L

F

E

D

S

S

L

L

R

L

K

D

S

S

K

S

I

I

K

R

L

I

V

I

L

P

T

V

R

R

H

H

E
|
E

Q

A

S

N

A

A

G

A

F

F

M

M

A

A

T

A

Y

V

G

G

R
|
R

L

I

T

T

G

G

K

K

T

A

G

G

V

V

S

A

L

L

S

V

T
|
T

L

S

G

G

P

P

G

G

A

C

T

S

N

N

L

L

V

I

T

T

A

G

S

M

A

A

Y

T

A

A

Y

N

L
x
S

G
x
E

G
|
G

M

D

P

P

M

V

M

A

I

L

T

G

G

G

Q

A

K

-

P

-

I

V

K

K

K

R

S

A

K

D

Q

K

G

-

R

-

F

-

Q

-

I

-

I

M

D

D

V

T

C

V

G

A

M

M

M

F

D
x
S

P

P

I

V

T
|
T

K

K

Y

Y

T

A

H

I

Q

E

F

V

A

T

S

A

A

P

D

D

N

A

I

L

P

A

A

E

R

V

M

V

R

S

E

N

A

A

F

F

R

R

L

A

A

A

E

E

E

Q

E

G

K
x
R

P

P

G

G

A

S

V

A

H

F

L

V

E

S

L

L

P

P

E
x
Q

D

D

I

V

A

V

A

D

E

G

Q

P

T

V

D

S

A

G

L

K

P

V

I

L

P

P

R

A

S

Q

L

M

H

G

R

A

P

P

L

-

A

-

E

-

H

D

V

D

A

A

I

I

E

D

A

Q

A

V

V

A

E

K

K

L

L

I

Q

A

N

Q

A

A

R

K

N

N

P

P

I

I

L

F

V

L

I

L

G

G

A
x
L

G

M

A

A

N

S

R
x
Q

K

P

M

E

T

N

A

S

K

K

V

A

L

L

K

R

Q

R

L

L

I

L

D

E

K

T

T

S

G

H

I

I

P

P

F

V

I

T

T

S

T

T

Q

Y

M
x
Q

G

A

K

A

G

G

V

A

V

V

D

N

E

Q

R

D

H

N

-

F

P

S

R

R

F

F

L

A

G

G

N

R

A

V

A

G

L
|
L

S

F

S

N

G

N

D

Q

F

A

V

G

H

D

R

R

A

L

V

L

E

Q

A

L

A

A

D

D

L

L

I

V

I

I

N

C

I

I

G

G

H

Y

D

S

V

P

I
x
V

E

E

K

Y

P
x
E

P

P

F

A

F

M

M

W

V

N

R

S

G

G

G

N

T

A

E

T

V

L

I

V

H

H

I

I

N

D

F

V

R

L

S

P

A

A

E

Y

V

E

D

E

A

R

V

N

Y

Y

F

T

P

P

Q

D

V

V

E

E

V

L

I

V

G

G

D

D

I

I

A

A

N

G

A

T

V

L

W

N

Q

K

I

L

S

A

E

Q

A

N

L

I

N

D

D

H

T

R

S

L

H

V

W

L

D

S

F

P

T

Q

R

A

L

A

M

E

A

I

I

L

R

R

E

D

-

R

-

Q

-

H

A

Q

N

R

E

E

A

L

Q

L

I

D

A

R

E

R

G

G

A

A

D

Q

D

L

D

N

R

Q

F

F

P

A

V

L

Y

H

P

P

Q

L

R

R

M

I

V

V

A

R

D

A

I

M

R

Q

R

D

V

I

L

V

P

N

S

S

E

D

G

V

I

T

V

L

A

T

L

V

D

D

N
x
M

G
|
G

I
x
S

Y
x
F

K

H

I

I

W

W

F

I

A

A

R

R

N

Y

Y

L

K

Y

A

S

H

F

K

R

P

A

N

R

T

Q

V

V

L

M

L

I

D

S

N

N

A

G

L

Q

A
x
Q

T

T

M
|
M

G

G

A

V

G

A

L

L

P

P

S

W

A

A

M

I

A

G

A

A

H

W

L

L

V

V

H

N

P

P

D

E

R

R

P

K

V

V

I

V

S

S

V

V

C

S

G
|
G

D
|
D

G
|
G

F

F

M

L

M

Q

N

S

S

S

Q

M

E

E

L

L

E

E

T

T

A

A

V

V

R

R

L

L

G

K

M

A

H

N

I

V

T

L

V

H

V

L

I

I

L

W

R

V

D
|
D

D

N

G
|
G

Y
|
Y

G
x
N

M
|
M

I
x
V

R

A

W

I

K
x
Q

Q

E

A

E

N

K

M

K

G

Y

F

Q

T

R

D

L

F

S

G

G

L

V

D

E

Y

F

G

G

N

P

P

M

D

D

F

F

V

K

K

A

Y

Y

A

A

E

E

A

S

Y

F

G

G

A

A

N

K

G

G

H

F

R

A

V

V

E

E

S

S

A

A

E

E

G

A

L

L

L

E

P

P

L

T

L

L

E

R

H

A

C

A

I

M

K

D

T

V

P

D

G

G

V

P

H

A

V

V

I

V

D

A

C

I

P

P

V

V

D

D

Y
|
Y

S

R

E

D

N

N

active site: I27 (= I23), G29 (= G25), A30 (≠ E26), K31 (≠ E27), I32 (≠ N28), E52 (= E48), T75 (= T71), Q157 (≠ E160), L246 (= L251), E273 (≠ P278), M378 (≠ N380), Q404 (≠ A406), M406 (= M408), D431 (= D433), D458 (= D460), G460 (= G462), Y461 (= Y463), M463 (= M465), V464 (≠ I466), Q467 (≠ K469), Y527 (= Y529)
binding (2S,3S)-2,3-dihydroxy-3-[(7S,8R,9aS)-8-(2-{[(R)-hydroxy(phosphonooxy)phosphoryl]oxy}ethyl)-2,7-dimethyl-5,7,8,10-tetrahydro-9aH-pyrimido[4,5-d][1,3]thiazolo[3,2-a]pyrimidin-9a-yl]-2-methylbutanoic acid: M378 (≠ N380), G379 (= G381), S380 (≠ I382), F381 (≠ Y383), Q404 (≠ A406), M406 (= M408), G430 (= G432), D431 (= D433), G432 (= G434), G433 (= G435), D458 (= D460), G460 (= G462), Y461 (= Y463), N462 (≠ G464), M463 (= M465), V464 (≠ I466), Y527 (= Y529)
binding magnesium ion: R64 (= R60), S117 (≠ D120), T120 (= T123), Q204 (≠ R210), D431 (= D433), D458 (= D460), G460 (= G462)
binding pyruvic acid: S92 (≠ L88), E93 (≠ G89), G94 (= G90), R147 (≠ K150), L200 (≠ A206), Q227 (≠ M233), V270 (≠ I275)

5dx6B Acetolactate synthase from klebsiella pneumoniae soaked with beta- fluoropyruvate
35% identity, 97% coverage: 2:532/547 of query aligns to 17:544/557 of 5dx6B

query
sites
5dx6B

A

A

K

H

A

G

A

A

D

D

V

L

V

V

Q

S

C

Q

L

L

E

E

N

A

E

Q

G

G

V

V

E

R

Y

Q

V

V

F

F

G

G

I
|
I

P

P

G
|
G

E
x
A

E
x
K

N
x
I

L

D

D

K

L

V

L

F

E

D

S

S

L

L

R

L

K

D

S

S

K

S

I

I

K

R

L

I

V

I

L

P

T

V

R

R

H

H

E
|
E

Q

A

S

N

A

A

G

A

F

F

M

M

A

A

T

A

Y

V

G

G

R

R

L

I

T

T

G

G

K

K

T

A

G

G

V

V

S

A

L

L

S

V

T
|
T

L

S

G

G

P

P

G

G

A

C

T

S

N

N

L

L

V

I

T

T

A

G

S

M

A

A

Y

T

A

A

Y

N

L

S

G

E

G

G

M

D

P

P

M

V

M

A

I

L

T

G

G

G

Q

A

-

V

K

K

P

R

I

A

K

D

K

K

S

A

K

K

Q

Q

G

-

R

V

F
x
H

Q
|
Q

I
x
S

I

M

D

D

V

T

C

V

G

A

M

M

M

F

D
x
S

P

P

I

V

T
|
T

K

K

Y

Y

T

A

H

I

Q

E

F

V

A

T

S

A

A

P

D

D

N

A

I

L

P

A

A

E

R

V

M

V

R

S

E

N

A

A

F

F

R

R

L

A

A

A

E

E

E

Q

E

G

K

R

P

P

G

G

A

S

V

A

H

F

L

V

E

S

L

L

P

P

E
x
Q

D

D

I

V

A

V

A

D

E

G

Q

P

T

V

D

S

A

G

L

K

P

V

I

L

P

P

R

A

S

S

-

G

L

A

H

P

R

Q

R

M

P

G

L

A

A

A

E

P

H

D

V

D

A

A

I

I

E

D

A

Q

A

V

V

A

E

K

K

L

L

I

Q

A

N

Q

A

A

R

K

N

N

P

P

I

I

L

F

V

L

I

L

G

G

A

L

G

M

A

A

N

S

R

Q

K

P

M

E

T

N

A

S

K

K

V

A

L

L

K

R

Q

R

L

L

I

L

D

E

K

T

T

S

G

H

I

I

P

P

F

V

I

T

T

S

T

T

Q

Y

M

Q

G

A

K

A

G

G

V

A

V

V

D

N

E

Q

R

D

H

N

-

F

P

S

R

R

F

F

L

A

G
|
G

N
x
R

A

V

A

G

L
|
L

S

F

S

N

G

N

D
x
Q

F

A

V

G

H

D

R

R

A

L

V

L

E

Q

A

L

A

A

D

D

L

L

I

V

I

I

N

C

I

I

G

G

H

Y

D

S

V

P

I

V

E

E

K

Y

P
x
E

P

P

F

A

F

M

M

W

V

N

R

S

G

G

G

N

T

A

E

T

V

L

I

V

H

H

I

I

N

D

F

V

R

L

S

P

A

A

E

Y

V

E

D

E

A

R

V

N

Y

Y

F

T

P

P

Q

D

V

V

E

E

V

L

I

V

G

G

D

D

I

I

A

A

N

G

A

T

V

L

W

N

Q

K

I

L

S

A

E

Q

A

N

L

I

N

D

D

H

T

-

S

-

H

-

W

-

D

-

F

-

T

-

R

R

L

L

M

V

A

L

I

S

R

P

E

Q

A

A

N

-

E

-

A

A

Q

E

I

I

A

L

E

R

G

D

A
x
R