SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BWI76_RS22830 FitnessBrowser__Koxy:BWI76_RS22830 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)

3n6hB Crystal structure of mandelate racemase/muconate lactonizing protein from actinobacillus succinogenes 130z complexed with magnesium/sulfate
71% identity, 99% coverage: 4:445/446 of query aligns to 1:430/432 of 3n6hB

query
sites
3n6hB

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active site: K189 (= K204), K191 (= K206), D219 (= D234), N221 (= N236), E244 (= E259), N273 (= N288), D297 (= D312), H323 (= H338), N325 (= N340)
binding magnesium ion: D219 (= D234), E244 (= E259), N273 (= N288)

3pfrA Crystal structure of d-glucarate dehydratase related protein from actinobacillus succinogenes complexed with d-glucarate
71% identity, 99% coverage: 5:445/446 of query aligns to 1:426/426 of 3pfrA

query
sites
3pfrA

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active site: K185 (= K204), K187 (= K206), D215 (= D234), N217 (= N236), E240 (= E259), N269 (= N288), D293 (= D312), H319 (= H338), N321 (= N340)
binding d-glucarate: N22 (= N26), H27 (= H31), Y130 (= Y149), F132 (= F151), K187 (= K206), D215 (= D234), N217 (= N236), N269 (= N288), H319 (= H338), S320 (= S339), N321 (= N340), H348 (= H367)
binding magnesium ion: D215 (= D234), E240 (= E259), N269 (= N288)

P0AES2 Glucarate dehydratase; GDH; GlucD; D-glucarate dehydratase; EC 4.2.1.40 from Escherichia coli (strain K12) (see 3 papers)
64% identity, 100% coverage: 1:445/446 of query aligns to 1:446/446 of P0AES2

query
sites
P0AES2

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W

M

E

D

Q

Q

V

V

Q

M

K

K

A

A

H

H

E

E

A

L

Y

Y

T

Q

R

K

L

H

P

G

G

L

G

G

A

A

R

R

N

D

D

D

A

A

G

M

P

G

M

M

Q

Q

Y

Y

L

L

I

I

P

P

G

G

W

W

T

T

F

F

D

D

R

N

K

K

R

R

P

P

V

C

F

M

G

V

R

R

M1 (= M1) modified: Initiator methionine, Removed
Y150 (= Y149) mutation to F: Reduces activity 100-fold.
K207 (= K206) active site, Proton acceptor; mutation to Q: Reduces activity 1000-fold.; mutation to R: Reduces activity 10000-fold.
D235 (= D234) binding
E266 (= E265) binding
N289 (= N288) binding
H339 (= H338) active site, Proton acceptor; mutation to A: Loss of activity.; mutation to N: Reduces activity 10000-fold.; mutation to Q: Reduces activity 1000-fold.
N341 (= N340) mutation to D: Inactive in the dehydration reaction of D-glucarate, L-idarate, and 4F-Gluc.; mutation to L: Almost no effect on the dehydration reaction of D-glucarate, L-idarate, and 4F-Gluc.
D366 (= D365) mutation D->A,N: Reduces activity over 100-fold.

1ecqA E. Coli glucarate dehydratase bound to 4-deoxyglucarate (see paper)
64% identity, 99% coverage: 5:445/446 of query aligns to 4:444/444 of 1ecqA

query
sites
1ecqA

S

T

P

P

V

V

I

V

T

T

D

E

M

M

K

Q

V

V

I

I

P

P

V

V

A

A

G

G

Q

H

D

D

S

S

M

M

L

L

L

M

N
|
N

I

L

G

S

G

G

A

A

H
|
H

N

A

A

P

Y

F

F

F

T

T

R

R

N

N

I

I

V

V

V

I

L

I

T

K

D

D

S

N

A

S

G

G

N

H

T

T

G

G

V

V

G

G

E

E

A

I

P

P

G

G

E

E

V

K

I

I

Y

R

Q

K

T

T

L

L

V

E

D

D

A

A

I

I

P

P

M

L

V

V

L

V

G

G

Q

K

E

T

I

L

A

G

R

E

L

Y

N

K

K

N

V

V

V

L

Q

T

Q

L

V

V

H

R

K

-

G

-

N

N

Q

T

A

F

A

A

D

D

F

R

D

D

T

A

F

G

G

G

K

R

G

G

A

L

W

Q

T
|
T

F

F

E

D

L

L

R

R

-

T

V

I

N

H

A

V

V

V

A

T

A

G

L

I

E

E

A

A

L

M

L

L

D

D

L

L

G

G

K

Q

A

H

L

L

N

G

V

V

P

N

V

V

C

A

E

S

L

L

G

G

P

D

G

G

K

Q

Q

Q

R

R

D

S

A

E

V

V

T

E

V

M

L

L

G

G

Y
|
Y

L

L

F
|
F

Y

F

V

V

G

G

D

N

R

R

T

K

K

A

T

T

D

P

L

L

P

P

Y

Y

L

Q

E

S

S

Q

T

P

P

D

G

D

S

S

H

C

A

D

W

W

Y

Y

R

R

L

L

R

R

H

H

Q

E

A

A

L

M

N

T

S

P

E

D

A

A

V

V

R

R

L

L

A

A

E

E

A

A

Q

Y

D

E

R

K

Y

Y

G

G

F

F

K

N

D

D

F

F

K
|
K

L

L

K
|
K

G

G

V

V

L

L

P

A

G

G

E

E

Q

E

E

E

I

A

E

E

T

S

A

I

R

V

A

A

L

L

K

A

K

Q

R

R

F

F

P

P

D

Q

A

A

R

R

I

I

T

T

V

L

D
|
D

P

P

N
|
N

G

G

A

A

W

W

L

S

L

L

D

N

E

E

A

A

I

I

A

K

L

I

C

G

K

K

G

Y

L

L

N

K

D

G

V

S

L

L

T

A

Y

Y

A

A

E
|
E

D

D

P

P

C

C

G

G

A

A

E

E

Q

Q

G

G

F

F

S

S

G

G

R

R

E

E

V

V

M

M

A

A

E

E

F

F

R

R

A

A

T

T

G

G

L

L

P

P

V

T

A

A

T

T

N
|
N

M
|
M

I

I

A

A

T

T

N

D

W

W

R

R

E

Q

M

M

G

G

H

H

A

T

V

L

M

S

L

L

N

Q

A

S

V

V

D

D

I

I

P

P

L

L

A

A

D
|
D

P

P

H

H

F

F

W

W

T

T

L

M

S

Q

G

G

A

S

V

V

R

R

V

V

A

A

Q

Q

L

M

C

C

D

H

D

E

W

F

G

G

L

L

T

T

W

W

G

G

C

S

H
|
H

S
|
S

N
|
N

N

N

H

H

F

F

D

D

I

I

S

S

L

L

A

A

M

M

F

F

T

T

H

H

V

V

G

A

A

A

P

P

G

G

N

K

P

I

T

T

A

A

I
|
I

D

D

T

T

H
|
H

W

W

I

I

W

W

Q

Q

E

E

G

G

D

N

C

Q

R

R

L

L

T

T

K

K

N

E

P

P

L

F

E

E

I

I

K

K

H

G

G

G

K

L

I

V

A

Q

V

V

P

P

D

E

A

K

P

P

G

G

L

L

G

G

V

V

E

E

L

I

D

D

W

M

E

D

Q

Q

V

V

Q

M

K

K

A

A

H

H

E

E

A

L

Y

Y

T

Q

R

K

L

H

P

G

G

L

G

G

A

A

R
|
R

N

D

D

D

A

A

G

M

P

G

M

M

Q

Q

Y

Y

L

L

I

I

P

P

G

G

W

W

T

T

F

F

D

D

R

N

K

K

R

R

P

P

V

C

F

M

G

V

R

R

active site: K203 (= K204), K205 (= K206), D233 (= D234), N235 (= N236), E258 (= E259), N287 (= N288), M288 (= M289), D311 (= D312), H337 (= H338), N339 (= N340), I363 (= I364)
binding 4-deoxyglucarate: N25 (= N26), H30 (= H31), T101 (= T104), Y148 (= Y149), F150 (= F151), K205 (= K206), D233 (= D234), N235 (= N236), N287 (= N288), H337 (= H338), S338 (= S339), N339 (= N340), H366 (= H367), R420 (= R421)
binding magnesium ion: D233 (= D234), E258 (= E259), N287 (= N288)

1ec9D E. Coli glucarate dehydratase bound to xylarohydroxamate (see paper)
64% identity, 99% coverage: 5:445/446 of query aligns to 4:444/444 of 1ec9D

query
sites
1ec9D

S

T

P

P

V

V

I

V

T

T

D

E

M

M

K

Q

V

V

I

I

P

P

V

V

A

A

G

G

Q

H

D

D

S

S

M

M

L

L

L

M

N

N

I

L

G

S

G

G

A

A

H
|
H

N

A

A

P

Y

F

F

F

T

T

R

R

N

N

I

I

V

V

V

I

L

I

T

K

D

D

S

N

A

S

G

G

N

H

T

T

G

G

V

V

G

G

E

E

A

I

P

P

G

G

E

E

V

K

I

I

Y

R

Q

K

T

T

L

L

V

E

D

D

A

A

I

I

P

P

M

L

V

V

L

V

G

G

Q

K

E

T

I

L

A

G

R

E

L

Y

N

K

K

N

V

V

V

L

Q

T

Q

L

V

V

H

R

K

-

G

-

N

N

Q

T

A

F

A

A

D

D

F

R

D

D

T

A

F

G

G

G

K

R

G

G

A

L

W

Q

T
|
T

F

F

E

D

L

L

R

R

-

T

V

I

N

H

A

V

V

V

A

T

A

G

L

I

E

E

A

A

L

M

L

L

D

D

L

L

G

G

K

Q

A

H

L

L

N

G

V

V

P

N

V

V

C

A

E

S

L

L

G

G

P

D

G

G

K

Q

Q

Q

R

R

D

S

A

E

V

V

T

E

V

M

L

L

G

G

Y
|
Y

L

L

F
|
F

Y

F

V

V

G

G

D

N

R

R

T

K

K

A

T

T

D

P

L

L

P

P

Y

Y

L

Q

E

S

S

Q

T

P

P

D

G

D

S

S

H

C

A

D

W

W

Y

Y

R

R

L

L

R

R

H

H

Q

E

A

A

L

M

N

T

S

P

E

D

A

A

V

V

R

R

L

L

A

A

E

E

A

A

Q

Y

D

E

R

K

Y

Y

G

G

F

F

K

N

D

D

F

F

K
|
K

L

L

K
|
K

G

G

V

V

L

L

P

A

G

G

E

E

Q

E

E

E

I

A

E

E

T

S

A

I

R

V

A

A

L

L

K

A

K

Q

R

R

F

F

P

P

D

Q

A

A

R

R

I

I

T

T

V

L

D
|
D

P

P

N
|
N

G

G

A

A

W

W

L

S

L

L

D

N

E

E

A

A

I

I

A

K

L

I

C

G

K

K

G

Y

L

L

N

K

D

G

V

S

L

L

T

A

Y

Y

A

A

E
|
E

D

D

P

P

C

C

G

G

A

A

E

E

Q

Q

G

G

F

F

S

S

G

G

R

R

E

E

V

V

M

M

A

A

E

E

F

F

R

R

A

A

T

T

G

G

L

L

P

P

V

T

A

A

T

T

N
|
N

M
|
M

I

I

A

A

T

T

N

D

W

W

R

R

E

Q

M

M

G

G

H

H

A

T

V

L

M

S

L

L

N

Q

A

S

V

V

D

D

I

I

P

P

L

L

A

A

D
|
D

P

P

H

H

F

F

W

W

T

T

L

M

S

Q

G

G

A

S

V

V

R

R

V

V

A

A

Q

Q

L

M

C

C

D

H

D

E

W

F

G

G

L

L

T

T

W

W

G

G

C

S

H
|
H

S
|
S

N
|
N

N

N

H

H

F

F

D

D

I

I

S

S

L

L

A

A

M

M

F

F

T

T

H

H

V

V

G

A

A

A

P

P

G

G

N

K

P

I

T

T

A

A

I
|
I

D

D

T

T

H
|
H

W

W

I

I

W

W

Q

Q

E

E

G

G

D

N

C

Q

R

R

L

L

T

T

K

K

N

E

P

P

L

F

E

E

I

I

K

K

H

G

G

G

K

L

I

V

A

Q

V

V

P

P

D

E

A

K

P

P

G

G

L

L

G

G

V

V

E

E

L

I

D

D

W

M

E

D

Q

Q

V

V

Q

M

K

K

A

A

H

H

E

E

A

L

Y

Y

T

Q

R

K

L

H

P

G

G

L

G

G

A

A

R
|
R

N

D

D

D

A

A

G

M

P

G

M

M

Q

Q

Y

Y

L

L

I

I

P

P

G

G

W

W

T

T

F

F

D

D

R

N

K

K

R

R

P

P

V

C

F

M

G

V

R

R

active site: K203 (= K204), K205 (= K206), D233 (= D234), N235 (= N236), E258 (= E259), N287 (= N288), M288 (= M289), D311 (= D312), H337 (= H338), N339 (= N340), I363 (= I364)
binding magnesium ion: D233 (= D234), E258 (= E259), N287 (= N288)
binding xylarohydroxamate: H30 (= H31), T101 (= T104), Y148 (= Y149), F150 (= F151), K205 (= K206), D233 (= D234), N235 (= N236), N287 (= N288), H337 (= H338), S338 (= S339), N339 (= N340), H366 (= H367), R420 (= R421)

1ec8A E. Coli glucarate dehydratase bound to product 2,3-dihydroxy-5-oxo- hexanedioate (see paper)
64% identity, 99% coverage: 5:445/446 of query aligns to 2:442/442 of 1ec8A

query
sites
1ec8A

S

T

P

P

V

V

I

V

T

T

D

E

M

M

K

Q

V

V

I

I

P

P

V

V

A

A

G

G

Q

H

D

D

S

S

M

M

L

L

L

M

N
|
N

I

L

G

S

G

G

A

A

H
|
H

N

A

A

P

Y

F

F

F

T

T

R

R

N

N

I

I

V

V

V

I

L

I

T

K

D

D

S

N

A

S

G

G

N

H

T

T

G

G

V

V

G

G

E

E

A

I

P

P

G

G

E

E

V

K

I

I

Y

R

Q

K

T

T

L

L

V

E

D

D

A

A

I

I

P

P

M

L

V

V

L

V

G

G

Q

K

E

T

I

L

A

G

R

E

L

Y

N

K

K

N

V

V

V

L

Q

T

Q

L

V

V

H

R

K

-

G

-

N

N

Q

T

A

F

A

A

D

D

F

R

D

D

T

A

F

G

G

G

K

R

G

G

A

L

W

Q

T
|
T

F

F

E

D

L

L

R

R

-

T

V

I

N

H

A

V

V

V

A

T

A

G

L

I

E

E

A

A

L

M

L

L

D

D

L

L

G

G

K

Q

A

H

L

L

N

G

V

V

P

N

V

V

C

A

E

S

L

L

G

G

P

D

G

G

K

Q

Q

Q

R

R

D

S

A

E

V

V

T

E

V

M

L

L

G

G

Y
|
Y

L

L

F

F

Y

F

V

V

G

G

D

N

R

R

T

K

K

A

T

T

D

P

L

L

P

P

Y

Y

L

Q

E

S

S

Q

T

P

P

D

G

D

S

S

H

C

A

D

W

W

Y

Y

R

R

L

L

R

R

H

H

Q

E

A

A

L

M

N

T

S

P

E

D

A

A

V

V

R

R

L

L

A

A

E

E

A

A

Q

Y

D

E

R

K

Y

Y

G

G

F

F

K

N

D

D

F

F

K
|
K

L

L

K
|
K

G

G

V

V

L

L

P

A

G

G

E

E

Q

E

E

E

I

A

E

E

T

S

A

I

R

V

A

A

L

L

K

A

K

Q

R

R

F

F

P

P

D

Q

A

A

R

R

I

I

T

T

V

L

D
|
D

P

P

N
|
N

G

G

A

A

W

W

L

S

L

L

D

N

E

E

A

A

I

I

A

K

L

I

C

G

K

K

G

Y

L

L

N

K

D

G

V

S

L

L

T

A

Y

Y

A

A

E
|
E

D

D

P

P

C

C

G

G

A

A

E

E

Q

Q

G

G

F

F

S

S

G

G

R

R

E

E

V

V

M

M

A

A

E

E

F

F

R

R

A

A

T

T

G

G

L

L

P

P

V

T

A

A

T

T

N
|
N

M
|
M

I

I

A

A

T

T

N

D

W

W

R

R

E

Q

M

M

G

G

H

H

A

T

V

L

M

S

L

L

N

Q

A

S

V

V

D

D

I

I

P

P

L

L

A

A

D
|
D

P

P

H

H

F

F

W

W

T

T

L

M

S

Q

G

G

A

S

V

V

R

R

V

V

A

A

Q

Q

L

M

C

C

D

H

D

E

W

F

G

G

L

L

T

T

W

W

G

G

C

S

H
|
H

S
|
S

N
|
N

N

N

H

H

F

F

D

D

I

I

S

S

L

L

A

A

M

M

F

F

T

T

H

H

V

V

G

A

A

A

P

P

G

G

N

K

P

I

T

T

A

A

I
|
I

D

D

T

T

H
|
H

W

W

I

I

W

W

Q

Q

E

E

G

G

D

N

C

Q

R

R

L

L

T

T

K

K

N

E

P

P

L

F

E

E

I

I

K

K

H

G

G

G

K

L

I

V

A

Q

V

V

P

P

D

E

A

K

P

P

G

G

L

L

G

G

V

V

E

E

L

I

D

D

W

M

E

D

Q

Q

V

V

Q

M

K

K

A

A

H

H

E

E

A

L

Y

Y

T

Q

R

K

L

H

P

G

G

L

G

G

A

A

R
|
R

N

D

D

D

A

A

G

M

P

G

M

M

Q

Q

Y

Y

L

L

I

I

P

P

G

G

W

W

T

T

F

F

D

D

R

N

K

K

R

R

P

P

V

C

F

M

G

V

R

R

active site: K201 (= K204), K203 (= K206), D231 (= D234), N233 (= N236), E256 (= E259), N285 (= N288), M286 (= M289), D309 (= D312), H335 (= H338), N337 (= N340), I361 (= I364)
binding 2,3-dihydroxy-5-oxo-hexanedioate: N23 (= N26), H28 (= H31), T99 (= T104), Y146 (= Y149), K203 (= K206), D231 (= D234), N233 (= N236), N285 (= N288), H335 (= H338), S336 (= S339), N337 (= N340), H364 (= H367), R418 (= R421)
binding magnesium ion: D231 (= D234), E256 (= E259), N285 (= N288)

1jctA Glucarate dehydratase, n341l mutant orthorhombic form (see paper)
64% identity, 99% coverage: 5:445/446 of query aligns to 3:443/443 of 1jctA

query
sites
1jctA

S

T

P

P

V

V

I

V

T

T

D

E

M

M

K

Q

V

V

I

I

P

P

V

V

A

A

G

G

Q

H

D

D

S

S

M

M

L

L

L

M

N
|
N

I

L

G

S

G

G

A

A

H
|
H

N

A

A

P

Y

F

F

F

T

T

R

R

N

N

I

I

V

V

V

I

L

I

T

K

D

D

S

N

A

S

G

G

N

H

T

T

G

G

V

V

G

G

E

E

A

I

P

P

G

G

E

E

V

K

I

I

Y

R

Q

K

T

T

L

L

V

E

D

D

A

A

I

I

P

P

M

L

V

V

L

V

G

G

Q

K

E

T

I

L

A

G

R

E

L

Y

N

K

K

N

V

V

V

L

Q

T

Q

L

V

V

H

R

K

-

G

-

N

N

Q

T

A

F

A

A

D

D

F

R

D

D

T

A

F

G

G

G

K

R

G

G

A

L

W

Q

T
|
T

F

F

E

D

L

L

R

R

-

T

V

I

N

H

A

V

V

V

A

T

A

G

L

I

E

E

A

A

L

M

L

L

D

D

L

L

G

G

K

Q

A

H

L

L

N

G

V

V

P

N

V

V

C

A

E

S

L

L

G

G

P

D

G

G

K

Q

Q

Q

R

R

D

S

A

E

V

V

T

E

V

M

L

L

G

G

Y
|
Y

L

L

F
|
F

Y

F

V

V

G

G

D

N

R

R

T

K

K

A

T

T

D

P

L

L

P

P

Y

Y

L

Q

E

S

S

Q

T

P

P

D

G

D

S

S

H

C

A

D

W

W

Y

Y

R

R

L

L

R

R

H

H

Q

E

A

A

L

M

N

T

S

P

E

D

A

A

V

V

R

R

L

L

A

A

E

E

A

A

Q

Y

D

E

R

K

Y

Y

G

G

F

F

K

N

D

D

F

F

K
|
K

L

L

K
|
K

G

G

V

V

L

L

P

A

G

G

E

E

Q

E

E

E

I

A

E

E

T

S

A

I

R

V

A

A

L

L

K

A

K

Q

R

R

F

F

P

P

D

Q

A

A

R

R

I

I

T

T

V

L

D
|
D

P

P

N
|
N

G

G

A

A

W

W

L

S

L

L

D

N

E

E

A

A

I

I

A

K

L

I

C

G

K

K

G

Y

L

L

N

K

D

G

V

S

L

L

T

A

Y

Y

A

A

E
|
E

D

D

P

P

C

C

G

G

A

A

E

E

Q

Q

G

G

F

F

S

S

G

G

R

R

E

E

V

V

M

M

A

A

E

E

F

F

R

R

A

A

T

T

G

G

L

L

P

P

V

T

A

A

T

T

N
|
N

M
|
M

I

I

A

A

T

T

N

D

W

W

R

R

E

Q

M

M

G

G

H

H

A

T

V

L

M

S

L

L

N

Q

A

S

V

V

D

D

I

I

P

P

L

L

A

A

D
|
D

P

P

H

H

F

F

W

W

T

T

L

M

S

Q

G

G

A

S

V

V

R

R

V

V

A

A

Q

Q

L

M

C

C

D

H

D

E

W

F

G

G

L

L

T

T

W

W

G

G

C

S

H
|
H

S
|
S

N
x
L

N

N

H

H

F

F

D

D

I

I

S

S

L

L

A

A

M

M

F

F

T

T

H

H

V

V

G

A

A

A

P

P

G

G

N

K

P

I

T

T

A

A

I
|
I

D

D

T

T

H

H

W

W

I

I

W

W

Q

Q

E

E

G

G

D

N

C

Q

R

R

L

L

T

T

K

K

N

E

P

P

L

F

E

E

I

I

K

K

H

G

G

G

K

L

I

V

A

Q

V

V

P

P

D

E

A

K

P

P

G

G

L

L

G

G

V

V

E

E

L

I

D

D

W

M

E

D

Q

Q

V

V

Q

M

K

K

A

A

H

H

E

E

A

L

Y

Y

T

Q

R

K

L

H

P

G

G

L

G

G

A

A

R
|
R

N

D

D

D

A

A

G

M

P

G

M

M

Q

Q

Y

Y

L

L

I

I

P

P

G

G

W

W

T

T

F

F

D

D

R

N

K

K

R

R

P

P

V

C

F

M

G

V

R

R

active site: K202 (= K204), K204 (= K206), D232 (= D234), N234 (= N236), E257 (= E259), N286 (= N288), M287 (= M289), D310 (= D312), H336 (= H338), L338 (≠ N340), I362 (= I364)
binding d-glucarate: N24 (= N26), H29 (= H31), T100 (= T104), Y147 (= Y149), F149 (= F151), K204 (= K206), D232 (= D234), N286 (= N288), S337 (= S339), R419 (= R421)
binding magnesium ion: D232 (= D234), E257 (= E259), N286 (= N288)

3p0wB Crystal structure of d-glucarate dehydratase from ralstonia solanacearum complexed with mg and d-glucarate
64% identity, 98% coverage: 6:441/446 of query aligns to 2:426/428 of 3p0wB

query
sites
3p0wB

S

T

P

P

V

R

I

V

T

T

D

E

M

M

K

Q

V

V

I

I

P

P

V

V

A

A

G

G

Q

R

D

D

S

S

M

M

L

L

N

N

I

L

G

C

G

G

A

A

H
|
H

N

A

A

P

Y

F

F

F

T

T

R

R

N

N

I

L

V

V

V

I

L

L

T

K

D

D

S

N

A

A

G

G

N

R

T

T

G

G

V

V

G

G

E

E

A

V

P

P

G

G

E

E

V

G

I

I

Y

R

Q

Q

T

A

L

L

V

E

D

R

A

V

I

I

P

P

M

L

V

V

L

V

G

G

Q

Q

E

S

I

I

A

G

R

R

L

T

N

N

K

G

V

V

V

L

Q

S

V

I

H

R

K

R

G

A

N

L

Q

A

A

-

D

-

F

-

D

-

T

-

F

-

G

-

K

-

G

-

A

-

W

-

T

E

F

I

E

N

L

L

R

R

V

M

-

D

N

N

A

V

V

I

A

T

A

A

L

V

E

E

A

A

L

L

D

D

L

L

G

G

K

Q

A

F

L

L

N

E

V

V

P

P

V

V

C

A

E

E

L

L

G

G

P

A

G

G

K

Q

Q

Q

R

R

D

D

A

S

V

A

T

P

V

M

L

L

G

A

Y
|
Y

L

L

F

F

Y

Y

V

V

G

G

D

D

R

R

T

R

K

K

T

T

D

D

L

L

P

P

Y

Y

L

L

E

E

S

G

T

A

P

N

G

G

S

A

H

D

A

D

W

W

Y

L

R

R

L

L

R

R

H

H

Q

E

Q

A

A

A

L

M

N

T

S

P

E

A

A

A

V

I

V

A

R

R

L

L

A

A

E

E

A

A

Q

T

D

E

R

R

Y

Y

G

G

F

F

K

A

D

D

F

F

K
|
K

L

L

K
|
K

G

G

V

V

L

M

P

P

G

G

E

A

Q

E

E

E

I

M

E

E

T

A

A

I

R

A

A

A

L

I

K

K

K

A

R

R

F

F

P

P

D

H

A

A

R

R

I

V

T

T

V

L

D
|
D

P

P

N
|
N

G

G

A

A

W

W

L

S

L

L

D

N

E

E

A

A

I

I

A

A

L

L

C

C

K

K

G

G

L

Q

N

G

D

H

V

L

L

V

T

A

Y

Y

A

A

E
|
E

D

D

P

P

C

C

G

G

A

P

E

E

Q

A

G

G

F

Y

S

S

G

G

R

R

E

E

V

V

M

M

A

A

E

E

F

F

R

K

R

R

A

A

T

T

G

G

L

I

P

P

V

T

A

A

T

T

N
|
N

M

M

I

I

A

A

T

T

N

D

W

W

R

R

E

Q

M

M

G

G

H

H

A

A

V

V

M

Q

L

L

N

H

A

A

V

V

D

D

I

I

P

P

L

L

A

A

D
|
D

P

P

H

H

F

F

W

W

T

T

L

M

S

Q

G

G

A

S

V

V

R

R

V

V

A

A

Q

Q

L

L

C

C

D

D

D

E

W

W

G

G

L

L

T

T

W

W

G

G

C

S

H
|
H

S

S

N
|
N

N

N

H

H

F

F

D

D

I

V

S

S

L

L

A

A

M

M

F

F

T

T

H

H

V

V

G

A

A

A

P

P

G

G

N

N

P

I

T

T

A

A

I

I

D

D

T

T

H
|
H

W

W

I

I

W

W

Q

Q

E

E

G

A

D

Q

C

E

R

R

L

L

T

T

K

R

N

E

P

P

L

L

E

R

I

I

K

Q

H

G

G

G

K

H

I

V

A

A

V

V

P

P

D

E

A

R

P

P

G

G

L

L

G

G

V

I

E

E

L

I

D

D

W

M

E

D

Q

R

V

V

Q

M

K

A

A

A

H

H

E

A

A

L

Y

Y

T

K

R

T

L

L

P

G

G

P

G

G

A

A

R
|
R

N

D

D

D

A

A

G

M

P

A

M

M

Q

Q

Y

Y

L

L

I

V

P

P

G

G

W

W

T

T

F

Y

D

D

R

P

K

K

R

R

P

P

active site: K189 (= K204), K191 (= K206), D219 (= D234), N221 (= N236), E244 (= E259), N273 (= N288), D297 (= D312), H323 (= H338), N325 (= N340)
binding d-glucarate: H27 (= H31), Y134 (= Y149), K191 (= K206), D219 (= D234), N221 (= N236), N273 (= N288), H323 (= H338), N325 (= N340), H352 (= H367), R406 (= R421)
binding magnesium ion: D219 (= D234), E244 (= E259), N273 (= N288)

3nxlC Crystal structure of glucarate dehydratase from burkholderia cepacia complexed with magnesium
62% identity, 98% coverage: 6:444/446 of query aligns to 2:425/425 of 3nxlC

query
sites
3nxlC

S

T

P

P

V

R

I

V

T

T

D

R

M

M

K

Q

V

V

I

I

P

P

V

V

A

A

G

G

Q

R

D

D

S

S

M

M

L

L

N

N

I

L

G

C

G

G

A

A

H
|
H

N

A

A

P

Y

Y

F

F

T

T

R

R

N

N

I

L

V

V

V

I

L

L

T

D

D

D

S

S

A

S

G

G

N

H

T

T

G

G

V

V

G

G

E

E

A

V

P

P

G

G

E

E

V

G

I

I

Y

R

Q

H

T

A

L

L

V

E

D

R

A

M

I

T

P

D

M

L

V

V

L

V

G

G

Q

Q

E

S

I

I

A

G

R

R

L

Y

N

Q

K

A

V

T

V

L

Q

N

Q

A

V

V

H

R

K

A

G

A

N

L

Q

S

A

R

A

L

D

D

F

-

D

-

T

-

F

-

G

-

K

-

G

-

A

-

W

-

T

-

F

-

E

-

L

-

R

-

V

-

N

N

A

V

V

I

A

T

A

A

L

I

E

E

A

A

L

L

D

D

L

L

G

G

K

Q

A

H

L

L

N

D

V

V

P

P

V

V

C

A

E

A

L

L

G

G

P

E

G

G

K

Q

Q

Q

R

R

D

D

A

A

V

V

T

P

V

M

L

L

G

A

Y

Y

L

L

F

F

Y

Y

V

I

G

G

D

D

R

R

T

G

K

R

T

T

D

D

L

L

P

P

Y

Y

L

R

E

D

S

E

T

A

P

Q

G

A

S

R

H

T

A

P

W

W

Y

F

R

R

L

L

R

R

H

N

Q

E

A

A

L

L

N

T

S

P

E

A

A

A

V

I

V

A

R

R

L

Q

A

A

E

E

A

A

Q

V

D

D

R

R

Y

Y

G

G

F

F

K

A

D

D

F

F

K

K

L

L

K

K

G

G

V

V

L

M

P

A

G

G

E

A

Q

D

E

E

I

M

E

E

T

A

A

I

R

A

A

A

L

I

K

K

K

A

R

C

F

F

P

P

D

D

A

A

R

R

I

A

T

T

V

L

D
|
D

P

P

N

N

G

G

A

A

W

W

L

S

L

L

D

D

E

E

A

A

I

V

A

A

L

L

C

C

K

R

G

G

L

Q

N

G

D

H

V

L

L

L

T

A

Y

Y

A

A

E
|
E

D

D

P

P

C

C

G

G

A

P

E

E

Q

G

G

G

F

Y

S

S

G

G

R

R

E

E

V

V

M

M

A

A

E

E

F

F

R

R

A

A

T

T

G

G

L

I

P

P

V

T

A

A

T

T

N
|
N

M

M

I

I

A

A

T

T

N

D

W

W

R

R

E

Q

M

M

G

D

H

H

A

A

V

V

M

R

L

L

N

Q

A

A

V

V

D

D

I

I

P

P

L

L

A

A

D

D

P

P

H

H

F

F

W

W

T

T

L

M

S

Q

G

G

A

S

V

V

R

R

V

L

A

A

Q

Q

L

L

C

C

D

R

D

D

W

W

G

G

L

L

T

T

W

W

G

G

C

S

H

H

S

S

N

N

H

H

F

F

D

D

I

V

S

S

L

L

A

A

M

M

F

F

T

T

H

H

V

A

G

A

A

A

P

P

G

G

N

T

P

I

T

T

A

A

I

I

D

D

T

T

H
|
H

W

W

I

I

W

W

Q

Q

E

E

G

G

D

D

C

A

R

R

L

L

T

T

K

R

N

E

P

P

L

L

E

K

I

I

K

V

H

G

G

G

K

Q

I

V

A

A

V

V

P

P

D

E

A

R

P

P

G

G

L

L

G

G

V

I

E

E

L

L

D

D

W

M

E

A

Q

Q

V

V

Q

E

K

A

A

A

H

H

E

A

A

L

Y

Y

T

K

R

E

L

V

P

G

G

G

G

T

A

A

R

R

N

D

D

D

A

A

G

V

P

A

M

M

Q

R

Y

Y

L

L

I

V

P

P

G

G

W

W

T

T

F

Y

D

D

R

P

K

K

R

R

P

P

V

S

F

F

G

G

binding carbonate ion: H27 (= H31), H348 (= H367)
binding magnesium ion: D215 (= D234), E240 (= E259), N269 (= N288)

3nfuA Crystal structure of probable glucarate dehydratase from chromohalobacter salexigens dsm 3043 complexed with magnesium
56% identity, 98% coverage: 7:443/446 of query aligns to 3:439/441 of 3nfuA

query
sites
3nfuA

P

P

V

K

I

I

T

T

D

K

M

M

K

N

V

V

I

V

P

P

V

V

A

A

G

G

Q

E

D

D

S

G

M

F

L

L

N

N

I

L

G

S

G

G

A

G

H

H

N

E

A

P

Y

W

F

F

T

I

R

R

N

C

I

V

V

L

V

V

L

L

T

E

D

D

S

E

A

S

G

G

N

N

T

R

G

G

V

V

G

G

E

E

A

I

P

P

G

S

E

E

V

G

I

I

Y

L

Q

N

T

G

L

L

V

E

D

K

A

C

I

R

P

S

M

L

V

V

L

E

G

G

Q

-

E

-

I

-

A

A

R

R

L

V

N

N

K

E

V

V

V

K

Q

Q

Q

V

V

L

H

S

K

R

G

A

N

R

-

G

Q

L

A

L

A

A

D

Q

F

G

D

G

T

P

F

E

G

E

K

R

G

G

A

R

W

Q

T

T

F

F

E

D

L

L

R

R

V

V

-

A

-

V

N

H

A

V

V

I

A

T

A

A

L

I

E

E

A

S

A

A

L

L

L

F

D

D

L

L

L

F

G

G

K

Q

A

A

L

L

N

G

V

M

P

P

V

V

C

A

E

D

L

L

G

G

P

Q

-

Y

G

G

K

R

Q

Q

R

R

D

D

A

E

V

V

T

E

V

A

L

L

G

G

Y

Y

L

L

F

F

Y

L

V

L

G

G

D

D

R

P

T

D

K

K

T

T

D

D

L

L

P

P

Y

Y

L

P

E

R

S

V

T

A

P

D

G

P

S

V

H

D

A

A

W

W

Y

D

R

E

L

V

R

R

H

Y

Q

R

Q

E

A

A

L

M

N

T

S

P

E

E

A

A

V

V

V

A

R

N

L

L

A

A

E

R

A

A

Q

Y

D

D

R

R

Y

Y

G

G

F

F

K

K

D

D

F

F

K
|
K

L

L

K
|
K

G

G

V

V

L

L

P

R

G

G

E

E

Q

E

E

E

I

A

E

D

T

C

A

I

R

R

A

A

L

L

K

H

K

E

R

A

F

F

P

P

D

E

A

A

R

R

I

L

T

A

V

L

D
|
D

P

P

N
|
N

G

G

A

A

W

W

L

K

L

L

D

D

E

E

A

A

I

V

A

R

L

V

C

L

K

E

G

P

L

I

N

K

D

H

V

L

L

L

T

S

Y

Y

A

A

E
|
E

D
|
D

P

P

C

C

G

G

A

Q

E

E

Q

G

G

G

F

F

S

S

G

G

R

R

E

E

V

T

M

M

A

A

E

E

F

F

R

K

A

R

T

T

G

G

L

L

P

P

V

T

A

A

T

T

N
|
N

M

M

I

I

A

A

T

T

N

D

W

Y

R

K

E

Q

M

L

G

Q

H

Y

A

A

V

V

M

Q

L

L

N

N

A

S

V

V

D

D

I

I

P

P

L

L

A

A

D
|
D

P

C

H

H

F

F

W

W

T

T

L

M

S

Q

G

G

A

A

V

V

R

A

V

V

A

G

Q

E

L

L

C

C

D

N

D

E

W

W

G

G

L

M

T

T

W

W

G

G

C

S

H
|
H

S

S

N
|
N

N

N

H

H

F

F

D

D

I

I

S

S

L

L

A

A

M

M

F

M

T

T

H

H

V

V

G

A

A

A

A

C

P

P

G

G

N

E

P

I

T

T

A

A

I

I

D

D

T

T

H

H

W

W

I

I

W

W

Q

Q

E

D

G

G

D

Q

C

-

R

R

L

I

T

T

K

R

N

E

P

P

L

F

E

Q

I

I

K

R

H

D

G

G

K

K

I

L

A

T

V

V

P

P

D

K

A

T

P

P

G

G

L

L

G

G

V

I

E

E

L

L

D

D

W

D

E

D

Q

K

V

L

Q

M

K

E

A

A

H

H

E

E

A

T

Y

Y

T

K

R

R

L

L

P

D

G

V

G

T

A

Q

R

R

N

N

D

D

A

A

G

M

P

A

M

M

Q

Q

Y

Y

L

L

I

I

P

P

G

G

W

W

T

E

F

F

D

D

R

P

K

K

R

R

P

P

V

A

F

L

active site: K201 (= K204), K203 (= K206), D231 (= D234), N233 (= N236), E256 (= E259), N285 (= N288), D309 (= D312), H335 (= H338), N337 (= N340)
binding magnesium ion: D231 (= D234), N233 (= N236), E256 (= E259), D257 (= D260), N285 (= N288)

4it1D Crystal structure of enolase pfl01_3283 (target efi-502286) from pseudomonas fluorescens pf0-1 with bound magnesium, potassium and tartrate
37% identity, 97% coverage: 9:440/446 of query aligns to 6:426/427 of 4it1D

query
sites
4it1D

I

I

T

T

D

R

M

V

K

T

V

V

I

T

P

P

V

I

A

A

G

F

Q

R

D

D

S

P

M

P

L

L

N

N

I

A

G

S

G

G

A

I

H

H

N

E

A

P

Y

F

F

A

T

L

R

R

N

S

I

I

V

I

V

E

L

I

T

E

D

S

S

D

A

N

G

G

N

Y

T

I

G

G

V

L

G

G

E

E

A
x
S

P

Y

G

G

G
x
D

-

A

-

P

-

A

-

L

-

A

-

I

-

Q

E

Q

V

Q

I

V

Y

Q

Q

S

T

Q

L

L

V

I

D

G

A

L

I

D

P

P

M

F

V

N

L

L

G

N

Q

Q

E

-

I

-

A

-

R

-

L

L

N

R

K

R

V

I

V

V

Q

Q

Q

T

V

T

H

V

K

A

G

A

N

H

Q

K

A

P

A

A

D

S

F

L

D

A

-

G

-
x
A

T

E

F

L

G

A

K

P

G

G

A

S

W

H

T

A

F

S

E

K

L

A

R

V

V

S

N

N

A

A

V

Y

A

S

A

A

L

F

E

E

A

V

A

A

L

F

L

L

D

D

L

L

L

Q

G

A

K

R

A

Y

L

L

N

N

V

V

P

P

V

L

C

V

E

D

L

L

G

G

P

-

G

G

K

A

Q

V

R

R

D

D

A

E

V

V

T

P

V

F

L

S

G

A

Y
|
Y

L

L

F

F

Y

F

V

K

G

Y

D

A

R

Q

T

-

K

H

T

V

D

D

L

S

P

P

Y

Y

L

K

E

P

S

D

T

N

P

W

G

G

S

-

H

-

A

-

W

-

Y

-

R

-

L

-

R

-

H

-

Q

-

Q

E

A

A

L

L

N

N

S

E

E

Q

A

Q

V

I

V

V

R

A

L

Q

A

A

E

A

A

R

A

M

Q

I

D

E

R

A

Y

Y

G

G

F

F

K

K

D

S

F

I

K
|
K

L

L

K
|
K

G

A

G

G

V

T

L

L

P

P

G

P

E

E

Q

H

E

E

I

V

E

A

T

C

A

I

R

K

A

A

L

L

K

K

R

A

F

F

P

P

D

G

A

Y

R

P

I

L

T

R

V

I

D
|
D

P

P

N
|
N

G

G

A

N

W

W

L

S

L

L

D

E

E

T

A

S

I

I

A

R

L

M

C

A

K

E

G

L

L

L

N

G

D

D

V

D

L

L

T

Q

Y
|
Y

A

Y

E
|
E

D

D

P

P

C

T

G

-

A

-

E

-

Q

-

G

-

F

-

S

P

G

G

R

L

E

E

V

G

M

M

A

A

E

E

F

L

R

H

R

K

A

R

T

T

G

G

L

L

P

P

V

L

A

A

T
|
T

N
|
N

M
|
M

I

V

A

V

T

T

N

D

W

F

R

D

E

E

M

F

G

R

H

R

A

S

V

V

M

A

L

Q

N

N

A

S

V

V

D

Q

I

I

P

V

L

L

A

A

D
|
D

P

H

H

H

F

Y

W

W

-

G

T

G

L

L

S

R

G

D

A

T

V

Q

R

T

V

L

A

A

Q

K

L

M

C

C

D

D

D

T

W

F

G

G

L

L

T

G

W

V

G

S

C

M

H
|
H

S
|
S

N
|
N

N

S

H

H

F

L

D

G

I

I

S

S

L

L

A

M

M

A

F

M

T

A

H

H

V

V

G

A

A

A

A

V

P

P

G

N

N

L

P

D

T

Y

A

A

I
x
C

D
|
D

T

T

H

H

W

Y

I

P

W

W

Q

Q

E

E

G

P

D

D

C

E

R

E

L

V

T

I

K

K

-

G

N

G

P

K

L

L

E

P

I

I

K

V

H

D

G

G

K

C

I

V

A

K

V

I

P

T

D

R

A

A

P

P

G

G

L

L

G

G

V

L

E

E

L

L

D

D

W

H

E

D

Q

Q

V

L

Q

G

K

K

A

L

H

H

E

D

A

Q

Y

Y

T

L

R

T

L

C

P

G

G

I

G

R

A

Q

R

R

N

D

D

D

A

V

G

R

P

Q

M

M

Q

Q

Y

R

L

Y

I

K

P

P

G

D

W

W

T

K

F

A

D

L

R

K

K

P

R

R

active site: S51 (≠ A54), D54 (≠ G57), A98 (vs. gap), Y150 (= Y149), K194 (= K204), K196 (= K206), D224 (= D234), N226 (= N236), Y247 (= Y257), E249 (= E259), T271 (= T287), N272 (= N288), M273 (= M289), D296 (= D312), H323 (= H338), S324 (= S339), N325 (= N340), C349 (≠ I364), D350 (= D365)
binding magnesium ion: D224 (= D234), E249 (= E259), N272 (= N288)

3vc6A Crystal structure of enolase tbis_1083(target efi-502310) from thermobispora bispora dsm 43833 complexed with magnesium and formate
35% identity, 97% coverage: 6:438/446 of query aligns to 1:417/420 of 3vc6A

query
sites
3vc6A

S

S

P

M

V

L

I

I

T

R

D

E

M

V

K

R

V

V

I

T

P

P

V

V

A

A

G

F

Q

R

D

D

S

P

M

P

L

L

N

N

I

A

G

A

G

G

A

V

H

H

N

Q

A

P

Y

W

F

A

T

L

R

R

N

T

I

I

V

V

V

E

L

V

T

V

D

T

S

D

A

E

G

G

N

I

T

T

G

G

V

L

G

G

E

E

A

T

P

Y

G

G

G
x
D

E

L

V

A

I
x
H

Y

L

Q

E

T

Q

L

V

V

R

D

A

A

A

I

A

P

A

M

R

V

L

L

P

G

G

Q

L

E

D

I

V

A

Y

R

A

L

L

N

H

K

R

V

I

V

Y

Q

R

V

V

H

A

K

D

-

V

-

G

G

A

N

N

Q

I

A

V

A

T

D

D

F

M

D

H

T

G

F

L

G

T

K

G

G

S

A

S

W

S

T

R

F

V

E

K

L

T

R

V

V

D

N

R

A

V

V

F

A

A

L

F

E

E

A

V

A

A

L

C

L

L

D

D

L

I

L

Q

G

G

K

K

A

A

L

A

N

G

V

R

P

P

V

V

C

A

E

D

L

L

G

G

P

-

G

G

K

K

Q

V

R

R

D

D

A

A

V

V

T

P

V

Y

L

S

G

A

Y
|
Y

L

L

F

F

Y

Y

V

-

G

-

D

-

R

-

T

-

K

-

T

-

D

-

L

-

P

-

Y

K

L

W

E

A

S

G

T

H

P

P

G

G

S

K

H

P

A

-

W

-

Y

-

R

E

L

D

R

R

H

F

Q

G

Q

P

A

A

L

L

N

D

S

P

E

D

A

G

V

I

V

V

R

A

L

Q

A

A

E

R

A

L

Q

I

D

G

R

E

Y

Y

G

G

F

F

K

R

D

S

F

I

K
|
K

L

L

K
|
K

G

G

V

V

L

F

P

P

G

P

E

E

Q

Q

E

E

I

A

E

E

T

A

A

I

R

Q

A

A

L

L

K

R

K

D

R

A

F

F

P

P

D

G

A

L

R

P

I

L

T

R

V

L

D
|
D

P

P

N
|
N

G

A

A

A

W

W

L

T

L

V

D

E

E

T

A

S

I

I

A

R

L

V

C

G

K

R

G

A

L

L

N

D

D

G

V

V

L

L

T

E

Y

Y

A

L

E
|
E

D

D

P

P

C

T

G

-

A

-

E

-

Q

-

G

-

F

-

S

P

G

G

R

I

E

D

V

G

M

M

A

A

E

R

F

V

R

A

A

E

T

V

G

P

L

M

P

P

V

L

A

A

T

T

N
|
N

M
|
M

I

C

A

V

T

V

N

T

W

P

R

E

E

H

M

L

G

P

H

A

A

A

V

V

M

E

L

R

N

R

A

P

V

I

D

G

I

V

P

L

L

L

A

I

D
|
D

P

H

H

H

F

Y

W

W

T

G

-

G

L

L

S

V

G

R

A

S

V

A

R

H

V

I

A

A

Q

T

L

L

C

C

D

A

D

T

W

F

G

G

L

I

T

E

W

L

G

S

C

M

H
|
H

S
|
S

N
|
N

N

S

H
|
H

F

L

D

G

I

I

S

S

L

L

A

A

M

A

F

M

T

T

H

H

V

L

G

A

A

A

A

T

P

P

G

A

N

I

P

T

T

H

A

A

I
x
C

D
|
D

T

T

H

H

W

T

I

P

W

W

Q

Q

E

D

G

G

D

Q

C

D

R

V

L

V

T

A

K

P

N

G

P

A

L

L

E

R

I

F

K

V

H

D

G

G

K

A

I

V

A

P

V

V

P

P

D

D

A

G

P

P

G

G

L

L

G

G

V

V

E

E

L

L

D

D

W

R

E

D

Q

A

V

L

Q

A

K

V

A

M

H

H

E

E

A

Q

Y

Y

T

E

R

R

L

C

P

G

G

I

G

R

A

T

R

R

N

D

D

D

A

E

G

G

P

Y

M

M

Q

R

Y

S

L

F

I

D

P

P

G

S

W

F

T

S

F

T

D

R

R

R

active site: D52 (≠ G57), H55 (≠ I60), Y146 (= Y149), K188 (= K204), K190 (= K206), D218 (= D234), N220 (= N236), E243 (= E259), N266 (= N288), M267 (= M289), D290 (= D312), H317 (= H338), S318 (= S339), N319 (= N340), H321 (= H342), C343 (≠ I364), D344 (= D365)
binding magnesium ion: D218 (= D234), E243 (= E259), N266 (= N288)

3va8A Crystal structure of enolase fg03645.1 (target efi-502278) from gibberella zeae ph-1 complexed with magnesium, formate and sulfate
33% identity, 97% coverage: 8:441/446 of query aligns to 12:425/427 of 3va8A

query
sites
3va8A

V

I

I

I

T

K

D

E

M

I

K

V

V

I

I

T

P

P

V

V

A

A

G

F

Q

H

D

D

S

M

M

P

L

L

N

N

I

S

G

V

G

G

A

V

H

H

N

E

A

P

Y

F

F

A

T

L

R

R

N

S

I

I

V

I

V

E

L

I

T

I

D

-

S

T

A

E

G

D

N

S

T

Y

G

G

V

L

G

G

E

E

A

S

P

Y

G

G

G

D

E

S

V

A

I

H

Y

L

Q

D

T

R

L

L

V

Q

D

K

A

A

I

A

P

D

M

K

V

I

L

K

G

G

Q

L

E

S

I

V

A

Y

R

S

L

T

N

N

K

V

V

I

V

Y

Q

Q

Q

R

-

C

V

V

H

E

K

S

G

L

N

R

Q

N

A

D

A

T

D

N

F

G

D

D

T

G

F

M

G

G

K

G

G

M

A

V

W

V

T

T

F

A

E

S

L

V

R

A

V

D

N

K

A

V

V

F

A

S

A

P

L

F

E

E

A

V

A

A

L

C

L

L

D

D

L

L

L

Q

G

G

K

K

A

L

L

A

N

G

V

I

P

S

V

V

C

S

E

D

L

L

G

G

P

-

G

G

K

R

Q

V

R

R

D

D

A

S

V

V

T

Q

V

Y

L

S

G

A

Y

Y

L

L

F

F

Y

Y

V

K

-

W

-

G

-

H

-

P

G

G

D

D

R

E

T

D

K

D

T

E

D

Y

L

G

P

P

Y

-

L

-

E

-

S

-

T

-

P

-

G

-

S

-

H

-

A

-

W

-

Y

-

R

-

L

-

R

-

H

-

Q

-

A

A

L

L

N

D

S

P

E

E

A

G

V

V

R

K

L

Q

A

A

E

K

A

K

A

I

Q

I

D

D

R

E

Y

Y

G

G

F

F

K

K

D

A

F

I

K

K

L

L

K

K

G

G

V

V

L

F

P

P

G

P

E

A

Q

D

E

E

I

V

E

A

T

A

A

I

R

K

A

A

L

L

K

H

K

K

R

A

F

F

P

P

D

G

A

V

R

P

I

L

T

R

V

L

D
|
D

P

P

N

N

G

A

A

A

W

W

L

T

L

V

D

E

E

T

A

S

I

K

A

W

L

V

C

A

K

K

G

E

L

L

N

E

D

G

V

I

L

V

T

E

Y

Y

A

L

E
|
E

D

D

P

P

C

A

G

G

A

E

E

I

Q

E

G

G

F

-

S

-

G

-

R

-

E

-

V

-

M

M

A

A

E

A

F

V

R

A

R

K

A

E

T

A

G

S

L

M

P

P

V

L

A

A

T

T

N
|
N

M

M

I

A

A

V

T

V

N

A

W

F

R

D

E

H

M

L

G

P

H

P

A

S

V

I

M

L

L

Q

N

D

A

A

V

V

D

Q

I

V

P

I

L

L

A

S

D

D

P

H

H

H

F

F

W

W

-

G

T

G

L

L

S

R

G

K

A

S

V

Q

R

T

V

L

A

A

Q

S

L

I

C

C

D

A

D

T

W

W

G

G

L

L

T

R

W

L

G

S

C

M

H

H

S

S

N

N

N

S

H

H

F

L

D

G

I

I

S

S

L

L

A

A

M

A

F

M

T

T

H

H

V

L

G

A

A

S

A

A

A

T

P

P

G

N

N

L

P

D

T

Y

A

A

I

C

D

D

T

T

H

H

W

W

I

P

W

W

Q

K

E

R

G

R

D

D

C

E

R

D

L

V

T

V

-

I

K

E

N

G

P

A

L

L

E

K

I

W

K

K

H

D

G

G

K

G

I

V

A

I

V

V

P

P

D

S

A

G

P

P

G

G

L

L

G

G

V

V

E

E

L

L

D

D

W

R

E

E

Q

R

V

L

Q

A

K

K

A

L

H

H

E

Q

A

Q

Y

Y

T

V

R

D

L

C

P

G

G

L

G

K

A

K

R

R

N

D

D

D

A

T

G

T

P

Y

M

M

Q

K

Y

R

L

F

I

K

P

P

G

-

W

-

T

E

F

F

D

S

R

E

K

K

R

I

P

P

binding magnesium ion: D224 (= D234), E249 (= E259), N272 (= N288)

3ozmD Crystal structure of enolase superfamily member from bordetella bronchiseptica complexed with mg, m-xylarate and l-lyxarate
26% identity, 83% coverage: 39:406/446 of query aligns to 37:369/381 of 3ozmD

query
sites
3ozmD

I

V

V

E

V

V

L

R

T

T

D

D

S

E

A

-

G

G

N

V

T

T

G

G

V

V

G

G

E

S

A

P

P

S

G
|
G

G

P

-

Y

-
x
D

-

L

E

A

V

V

I

L

Y

K

Q

R

T

A

L

I

V

E

D

D

A

V

I

I

-

G

P

P

M

Q

V

L

L

I

G

G

Q

E

E

D

I

P

A

A

R

N

L

I

N

N

K

Y

V

L

V

W

Q

H

Q

K

V

V

H

F

K

H

G

G

N

E

Q

V

A

S

A

R

D

N

F

L

D

G

T

H

F

R

G

S

K

V

G

G

A

-

W

-

T

-

F

-

E

-

L

-

R

-

V

I

N

A

A

A

V

M

A

S

A

G

L

V

E

D

A

I

A

A

L

L

L

W

D

D

L

L

L

K

G

G

K

R

A

A

L

M

N

N

V

Q

P

P

V

I

C

Y

E

Q

L

L

G

G

P

-

G

-

K

-

Q

-

R

-

D

-

A

-

V

-

T

-

V

-

L

-

G

G

Y

K

L

F

F

H

Y

T

V

R

G

G

D

V

R

R

T

A

K

Y

T

A

D
x
S

L

S

P

I

Y

Y

L

W

E

D

S

L

T

T

P

P

G

-

S

-

H

-

A

-

W

-

Y

-

R

-

L

-

R

-

H

-

Q

-

A

-

L

-

N

-

S

D

E

Q

A

A

V

A

V

D

R

E

L

L

A

A

E

G

A

W

A

V

Q

E

D

Q

R

-

Y

-

G

G

F

F

K

T

D

A

F

A

K
|
K

L

L

K
|
K

G

V

G

G

V

R

L

A

P

P

G

-

E

R

Q

K

E

D

I

A

E

A

T

N

A

L

R

R

A

A

L

M

K

R

K

Q

R

R

F

V

-

G

P

A

D

D

A

V

R

E

I

I

T

L

V

V

D
|
D

P

A

N
|
N

G

Q

A

S

W

L

L

G

L

R

D

H

E

D

A

A

I

L

A

A

L

M

C

L

K

R

G

I

L

L

N

D

D

E

V

A

L

G

T

C

Y

Y

-

W

A

F

E
|
E

D

E

P

P

C

L

G

S

A

I

E

D

Q

D

G

-

F

I

S

E

G

G

R

H

E

R

V

I

M

L

A

-

E

-

F

-

R

-

R

R

A

A

T

Q

G

G

L

T

P

P

V

V

-

R

-

I

A

A

T

T

N
x
G

M
x
E

I
x
N

A

L

T

Y

N

T

W

R

R

N

E

A

M

F

G

N

H

D

A

Y

V

I

M

R

L

N

N

D

A

A

V

I

D

D

I

V

P

L

L
x
Q

A

A

D
|
D

-

A

P

S

H

R

F

A

W

G

T

G

L

I

S

T

G

E

A

A

V

L

R

A

V

I

A

S

Q

A

L

S

C

A

D

A

D

S

W

A

G

H

L

L

T

A

W

W

G

N

C

P

H
|
H

S
x
T

N
x
F

N

N

H

D

F

I

D

-

I

I

S

T

L

V

A

A

M

A

F

N

T

L

H

H

V

L

G

V

A

A

A

S

P

P

G

-

N

H

P

P

T

A

A

M

I

F

D
x
E

T

W

H

D

W
x
I

I

T

W
x
H

Q

N

E

D

G

L

D

M

C

T

R

R

L

L

T

A

K

S

N

Y

P

D

L

L

E

K

I

L

K

E

H

N

G

G

K

L

I

V

A

Q

V

P

P

P

D

Q

A

G

P

P

G

G

L

L

G

G

V

F

E

E

L

I

D

D

W

W

E

D

Q

F

V

V

active site: G53 (= G56), D56 (vs. gap), S143 (≠ D160), K170 (= K204), K172 (= K206), D200 (= D234), N202 (= N236), E226 (= E259), G252 (≠ N288), E253 (≠ M289), N254 (≠ I290), Q274 (≠ L310), D276 (= D312), H303 (= H338), T304 (≠ S339), F305 (≠ N340), E328 (≠ D365), I331 (≠ W368), H333 (≠ W370)
binding L-arabinaric acid: K172 (= K206), D200 (= D234), N202 (= N236), E253 (≠ M289), H303 (= H338), F305 (≠ N340), E328 (≠ D365)
binding magnesium ion: D200 (= D234), E226 (= E259), E253 (≠ M289)

Sites not aligning to the query:

active site: 20

3ozmA Crystal structure of enolase superfamily member from bordetella bronchiseptica complexed with mg, m-xylarate and l-lyxarate
26% identity, 83% coverage: 39:406/446 of query aligns to 37:369/386 of 3ozmA

query
sites
3ozmA

I

V

V

E

V

V

L

R

T

T

D

D

S

E

A

-

G

G

N

V

T

T

G

G

V

V

G

G

E

S

A

P

P

S

G
|
G

G

P

-

Y

-
x
D

-

L

E

A

V

V

I

L

Y

K

Q

R

T

A

L

I

V

E

D

D

A

V

I

I

-

G

P

P

M

Q

V

L

L

I

G

G

Q

E

E

D

I

P

A

A

R

N

L

I

N

N

K

Y

V

L

V

W

Q

H

Q

K

V

V

H

F

K

H

G

G

N

E

Q

V

A

S

A

R

D

N

F

L

D

G

T

H

F

R

G

S

K

V

G

G

A

-

W

-

T

-

F

-

E

-

L

-

R

-

V

I

N

A

A

A

V

M

A

S

A

G

L

V

E

D

A

I

A

A

L

L

L

W

D

D

L

L

L

K

G

G

K

R

A

A

L

M

N

N

V

Q

P

P

V

I

C

Y

E

Q

L

L

G

G

P

-

G

-

K

-

Q

-

R

-

D

-

A

-

V

-

T

-

V

-

L

-

G

G

Y

K

L

F

F

H

Y

T

V

R

G

G

D

V

R

R

T

A

K

Y

T

A

D
x
S

L

S

P

I

Y
|
Y

L

W

E

D

S

L

T

T

P

P

G

-

S

-

H

-

A

-

W

-

Y

-

R

-

L

-

R

-

H

-

Q

-

A

-

L

-

N

-

S

D

E

Q

A

A

V

A

V

D

R

E

L

L

A

A

E

G

A

W

A

V

Q

E

D

Q

R

-

Y

-

G

G

F

F

K

T

D

A

F

A

K
|
K

L

L

K
|
K

G

V

G

G

V

R

L

A

P

P

G

-

E

R

Q

K

E

D

I

A

E

A

T

N

A

L

R

R

A

A

L

M

K

R

K

Q

R

R

F

V

-

G

P

A

D

D

A

V

R

E

I

I

T

L

V

V

D
|
D

P

A

N
|
N

G

Q

A

S

W

L

L

G

L

R

D

H

E

D

A

A

I

L

A

A

L

M

C

L

K

R

G

I

L

L

N

D

D

E

V

A

L

G

T

C

Y

Y

-

W

A

F

E
|
E

D

E

P

P

C

L

G

S

A

I

E

D

Q

D

G

-

F

I

S

E

G

G

R

H

E

R

V

I

M

L

A

-

E

-

F

-

R

-

R

R

A

A

T

Q

G

G

L

T

P

P

V

V

-

R

-

I

A

A

T

T

N
x
G

M
x
E

I
x
N

A

L

T

Y

N

T

W

R

R

N

E

A

M

F

G

N

H

D

A

Y

V

I

M

R

L

N

N

D

A

A

V

I

D

D

I

V

P

L

L
x
Q

A

A

D
|
D

-

A

P

S

H

R

F

A

W

G

T

G

L

I

S

T

G

E

A

A

V

L

R

A

V

I

A

S

Q

A

L

S

C

A

D

A

D

S

W

A

G

H

L

L

T

A

W

W

G

N

C

P

H
|
H

S
x
T

N
x
F

N

N

H

D

F

I

D

-

I

I

S

T

L

V

A

A

M

A

F

N

T

L

H

H

V

L

G

V

A

A

A

S

P

P

G

-

N

H

P

P

T

A

A

M

I

F

D
x
E

T

W

H

D

W
x
I

I

T

W
x
H

Q

N

E

D

G

L

D

M

C

T

R

R

L

L

T

A

K

S

N

Y

P

D

L

L

E

K

I

L

K

E

H

N

G

G

K

L

I

V

A

Q

V

P

P

P

D

Q

A

G

P

P

G

G

L

L

G

G

V

F

E

E

L

I

D

D

W

W

E

D

Q

F

V

V

active site: G53 (= G56), D56 (vs. gap), S143 (≠ D160), K170 (= K204), K172 (= K206), D200 (= D234), N202 (= N236), E226 (= E259), G252 (≠ N288), E253 (≠ M289), N254 (≠ I290), Q274 (≠ L310), D276 (= D312), H303 (= H338), T304 (≠ S339), F305 (≠ N340), E328 (≠ D365), I331 (≠ W368), H333 (≠ W370)
binding D-xylaric acid: Y146 (= Y163), K170 (= K204), K172 (= K206), D200 (= D234), N202 (= N236), E253 (≠ M289), H303 (= H338), F305 (≠ N340), E328 (≠ D365)
binding magnesium ion: D200 (= D234), E226 (= E259), E253 (≠ M289)

Sites not aligning to the query:

active site: 20
binding D-xylaric acid: 24, 29

3op2A Crystal structure of putative mandelate racemase from bordetella bronchiseptica rb50 complexed with 2-oxoglutarate/phosphate
26% identity, 83% coverage: 39:406/446 of query aligns to 37:364/375 of 3op2A

query
sites
3op2A

I

V

V

E

V

V

L

R

T

T

D

D

S

E

A

-

G

G

N

V

T

T

G

G

V

V

G

G

E

S

A

P

P

S

G
|
G

G

P

-

Y

-
x
D

-

L

E

A

V

V

I

L

Y

K

Q

R

T

A

L

I

V

E

D

D

A

V

I

I

-

G

P

P

M

Q

V

L

L

I

G

G

Q

E

E

D

I

P

A

A

R

N

L

I

N

N

K

Y

V

L

V

W

Q

H

Q

K

V

V

H

F

K

H

G

G

N

E

Q

V

A

S

A

R

D

-

F

-

D

-

T

-

F

-

G

-

K

-

G

-

A

-

W

-

T

-

F

-

E

S

L

V

R

G

V

I

N

A

A

A

V

M

A

S

A

G

L

V

E

D

A

I

A

A

L

L

L

W

D

D

L

L

L

K

G

G

K

R

A

A

L

M

N

N

V

Q

P

P

V

I

C

Y

E

Q

L

L

G

G

P

-

G

-

K

-

Q

-

R

-

D

-

A

-

V

-

T

-

V

-

L

-

G

G

Y

K

L

F

F

H

Y

T

V

R

G

G

D

V

R

R

T

A

K

Y

T

A

D
x
S

L

S

P

I

Y

Y

L

W

E

D

S

L

T

T

P

P

G

-

S

-

H

-

A

-

W

-

Y

-

R

-

L

-

R

-

H

-

Q

-

A

-

L

-

N

-

S

D

E

Q

A

A

V

A

V

D

R

E

L

L

A

A

E

G

A

W

A

V

Q

E

D

Q

R

-

Y

-

G

G

F

F

K

T

D

A

F

A

K
|
K

L

L

K
|
K

G

V

G

G

V

R

L

A

P

P

G

-

E

R

Q

K

E

D

I

A

E

A

T

N

A

L

R

R

A

A

L

M

K

R

K

Q

R

R

F

V

-

G

P

A

D

D

A

V

R

E

I

I

T

L

V

V

D
|
D

P

A

N
|
N

G

Q

A

S

W

L

L

G

L

R

D

H

E

D

A

A

I

L

A

A

L

M

C

L

K

R

G

I

L

L

N

D

D

E

V

A

L

G

T

C

Y

Y

-

W

A

F

E
|
E

D

E

P

P

C

L

G

S

A

I

E

D

Q

D

G

-

F

I

S

E

G

G

R

H

E

R

V

I

M

L

A

-

E

-

F

-

R

-

R

R

A

A

T

Q

G

G

L

T

P

P

V

V

-

R

-

I

A

A

T

T

N
x
G

M
x
E

I
x
N

A

L

T

Y

N

T

W

R

R

N

E

A

M

F

G

N

H

D

A

Y

V

I

M

R

L

N

N

D

A

A

V

I

D

D

I

V

P

L

L
x
Q

A

A

D
|
D

-

A

P

S

H

R

F

A

W

G

T

G

L

I

S

T

G

E

A

A

V

L

R

A

V

I

A

S

Q

A

L

S

C

A

D

A

D

S

W

A

G

H

L

L

T

A

W

W

G

N

C

P

H
|
H

S
x
T

N
x
F

N

N

H

D

F

I

D

-

I

I

S

T

L

V

A

A

M

A

F

N

T

L

H

H

V

L

G

V

A

A

A

S

P

P

G

-

N

H

P

P

T

A

A

M

I

F

D
x
E

T

W

H

D

W
x
I

I

T

W
x
H

Q

N

E

D

G

L

D

M

C

T

R

R

L

L

T

A

K

S

N

Y

P

D

L

L

E

K

I

L

K

E

H

N

G

G

K

L

I

V

A

Q

V

P

P

P

D

Q

A

G

P

P

G

G

L

L

G

G

V

F

E

E

L

I

D

D

W

W

E

D

Q

F

V

V

active site: G53 (= G56), D56 (vs. gap), S138 (≠ D160), K165 (= K204), K167 (= K206), D195 (= D234), N197 (= N236), E221 (= E259), G247 (≠ N288), E248 (≠ M289), N249 (≠ I290), Q269 (≠ L310), D271 (= D312), H298 (= H338), T299 (≠ S339), F300 (≠ N340), E323 (≠ D365), I326 (≠ W368), H328 (≠ W370)
binding 2-oxoglutaric acid: K165 (= K204), K167 (= K206), D195 (= D234), E248 (≠ M289), H298 (= H338), E323 (≠ D365)
binding magnesium ion: D195 (= D234), E221 (= E259), E248 (≠ M289)

Sites not aligning to the query:

active site: 20

3ugvF Crystal structure of an enolase from alpha pretobacterium bal199 (efi target efi-501650) with bound mg
27% identity, 67% coverage: 107:405/446 of query aligns to 97:355/364 of 3ugvF

query
sites
3ugvF

L

L

R

S

V

M

N

I

A

A

V

A

A

S

A

G

L

V

E

D

A

M

A

A

L

V

L

W

D

D

L

A

L

L

G

A

K

R

A

A

L

A

N

N

V

M

P

P

V

L

C

C

E

T

L

L

G

G

P

-

G

-

K

-

Q

-

R

-

D

-

A

-

V

-

T

-

V

-

L

-

G

-

Y

-

L

-

F

-

Y

-

V

-

G

-

D

-

R

-

T

-

K

-

T

-

D

-

L

-

P

-

Y

-

L

-

E

-

S

G

T

T

P

P

G

G

S

S

H

V

A

K

W

A

Y

Y

R

N

-
x
S

-

N

-

G

-

L

-

W

L

L

R

K

H

S

Q

P

Q

A

A

E

L

V

N

A

S

A

E

E

A

A

V

V

V

E

R

L

L

K

A

A

E

E

A

G

A

Q

Q

G

D

T

R

-

Y

-

G

G

F

F

K

K

D

G

F

L

K
|
K

L

L

K
x
R

G

M

G

G

V

R

L

D

P

D

G

P

E

A

Q

V

E

D

I

I

E

E

T

T

A

A

R

E

A

A

L

V

K

W

K

D

R

A

F

V

-

G

P

R

D

D

A

T

R

A

I

L

T

M

V

V

D
|
D

P

F

N
|
N

G

Q

A

G

W

L

L

D

L

M

D

A

E

E

A

A

I

M

A

H

L

R

C

T

K

R

G

Q

L

I

N

D

D

D

V

L

-

G

L

L

T

E

Y

W

A

I

E
|
E

D

E

P

P

C

V

G

-

A

V

E

Y

Q

D

G

N

F

F

S

D

G

G

R

-

E

-

V

-

M

Y

A

A

E

Q

F

L

R
|
R

R

H

A

D

T
x
L

G

K

L

T

P

P

V

L

A

-

T

-

N

-

M

M

I

I

A
x
G

T
x
E

N
|
N

W

F

-

Y

-

G

-

P

R

R

E

E

M

M

G

H

H

Q

A

A

V

L

M

Q

L

A

N

G

A

A

V

C

D

D

I

L

P

V

L
x
M

A

P

D
|
D

-

F

P

M

H

R

F

I

W

G

T

G

L

V

S

S

G

G

A

W

V

M

R

R

V

A

A

A

Q

G

L

V

C

A

D

G

D
x
A

W

W

G

G

L

I

T

P

W

M

G

S

C

T

H
|
H

S

-

N

-

H

-

F

-

D

-

I

-

S

-

L

-

A

-

M
x
L

F
x
Y

T

P

H

E

V

V

G

G

A

A

A

H

A

V

P

-

G

-

N

M

P

R

T

V

A

T

I

E

D

T

T

A

H

H

W

W

I

L

-
x
E

W

W

Q

Q

E

S

G

W

D

A

C

D

R

P

L

I

T

L

K

Q

N

E

P

P

L

Y

E

A

I

L

K

S

H

D

G

G

K

D

I

L

A

I

V

V

P

P

D

D

A

K

P

P

G

G

L

L

G

G

V

-

E

-

L

L

D

D

W

W

E

D

Q

E

active site: S137 (vs. gap), K168 (= K204), R170 (≠ K206), D199 (= D234), N201 (= N236), E225 (= E259), G250 (≠ A291), E251 (≠ T292), N252 (= N293), M272 (≠ L310), D274 (= D312), A293 (≠ D330), H301 (= H338), L302 (≠ M349), Y303 (≠ F350), E321 (vs. gap)
binding magnesium ion: D199 (= D234), E225 (= E259), R240 (= R278), L243 (≠ T281), E251 (≠ T292)

Sites not aligning to the query:

active site: 20, 51, 54, 95

3dg6A Crystal structure of muconate lactonizing enzyme from mucobacterium smegmatis complexed with muconolactone (see paper)
25% identity, 67% coverage: 110:406/446 of query aligns to 97:360/366 of 3dg6A

query
sites
3dg6A

N

T

A

A

V

K

A

A

L

I

E

D

A

M

A

A

L

M

L

W

D

D

L

A

L

L

G

G

K

Q

A

S

L

L

N

R

V

L

P

S

V

V

C

S

E

E

L

M

L

L

G

G

P

-

G

-

K

-

Q

-

R

-

D

-

A

-

V

-

T

-

V

-

L

-

G

G

Y

Y

L

-

F

-

Y

-

V

-

G

-

D

-

R

-

T

-

K

-

T

T

D

D

L

-

P

-

Y

-

L

-

E

-

S

-

T

-

P

-

G

-

S

-

H

-

A

-

W

-

Y

-

R

R

L

M

R

R

H

V

Q

S

Q

H

A
x
M

L

L

N

G

S

F

E

D

A

D

V

P

V

V

R

K

L

M

-

V

-

A

-

E

A

A

E

E

A

R

A

I

Q

R

D

E

R

T

Y

Y

G

G

F

I

K

N

D

T

F

F

K
|
K

L

V

K
|
K

G

V

G

G

V

R

L

R

P

P

G

V

E

Q

Q

L

E

D

I

T

E

A

T

V

A

V

R

R

A

A

L

L

K

R

K

E

R

R

F

F

P

G

D

D

A

A

-

I

R

E

I

L

T

Y

V

V

D
|
D

P

G

N
|
N

G

R

A

G

W

W

L

S

L

A

D

A

E

E

A

S

I

L

A

R

L

A

C

M

K

R

G

E

L

M

N

A

D

D

V

L

-

D

L

L

T

L

Y

F

A

A

E
|
E

D

E

P

L

C

C

G

P

A

A

E

D

Q

D

G

V

F

L

S

S

G

R

R

R

E

R

V

L

M

V

A

G

E

Q

F

L

R

-

A

-

T

-

G

D

L

M

P

P

V

F

A

I

T

A

N
x
D

M
x
E

I
x
S

A

V

T

P

N

T

W

P

R

A

E

D

M

V

G

T

H

R

A

E

V

V

M

L

-

G

-

S

L

A

N

T

A

A

V

I

D

S

I

I

P
x
K

L

T

A

A

D

R

P

T

H

G

F

F

W

-

T

-

L

-

S

T

G

G

A

S

V

T

R

R

V

V

A

H

Q

H

L

L

C

A

D

E

D

G

W

L

G

G

L

L

T

D

W

M

G

V

C

M

H
x
G

S
x
N

N
x
Q

N
x
I

H

D

F

G

D

Q

I

I

S

G

L

T

A

A

M

C

F

T

T

V

H

S

V

F

G

G

A

T

A

A

A

F

P

E

G

R

N

T

P

S

T

R

A

H

I

A

D
x
G

T
x
E

H
x
L

W

S

I

N

W

F

Q

L

E

D

G

M

D

S

C

D

R

D

L

L

T

L

K

T

N

V

P

P

L

L

E

Q

I

I

K

S

H

D

G

G

K

Q

I

L

A

H

V

R

P

R

D

P

A

G

P

P

G

G

L

L

G

G

V

I

E

E

L

I

D

D

W

P

E

D

Q

K

V

L

active site: M134 (≠ A181), K160 (= K204), K162 (= K206), D191 (= D234), N193 (= N236), E217 (= E259), D242 (≠ N288), E243 (≠ M289), S244 (≠ I290), K266 (≠ P309), G292 (≠ H338), N293 (≠ S339), Q294 (≠ N340), G319 (≠ D365), E320 (≠ T366), L321 (≠ H367)
binding magnesium ion: D191 (= D234), E217 (= E259), D242 (≠ N288)
binding [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid: M134 (≠ A181), K160 (= K204), K162 (= K206), D191 (= D234), N193 (= N236), D242 (≠ N288), K266 (≠ P309), N293 (≠ S339), Q294 (≠ N340), I295 (≠ N341)

Sites not aligning to the query:

active site: 19, 50, 51
binding [(2S)-5-oxo-2,5-dihydrofuran-2-yl]acetic acid: 21, 54

3t8qB Crystal structure of mandelate racemase/muconate lactonizing enzyme family protein from hoeflea phototrophica
28% identity, 65% coverage: 110:401/446 of query aligns to 82:353/369 of 3t8qB

query
sites
3t8qB

N

R

A

A

V

L

A

G

L

L

E

D

A

T

A

A

L

L

L

W

D

D

L

L

L

R

G

G

K

R

A

L

L

E

N

G

V

K

P

P

V

V

C

C

E

E

L

L

L

I

G

G

-

G

-

T

P

P

G

G

K

-

Q

-

R

-

D

-

A

-

V

-

T

T

V

V

L

R

G

A

Y

Y

L

-

F

-

Y

-

V

-

G

G

D

S

R
x
S

T

M

K

K

T

R

D

D

L

I

P

-

Y

-

L

-

E

-

S

-

T

T

P

P

G

K

S

D

H

E

A

A

W

-

Y

-

R

-

L

-

R

-

H

-

Q

-

A

-

L

-

N

-

S

-

E

-

A

-

V

-

V

A

R

R

L

L

A

S

E

R

A

-

A

L

Q

R

D

D

R

R

Y

F

G

G

F

F

K

D

D

A

F

F

K
|
K

L

F

K
x
R

G

I

G

G

V

A

L

E

P

C

G

G

E

R

Q

G

E

Q

I
x
D

E

E

T

W

A

P

R

G

A

R

L

T

K

E

R

I

F

V

P

P

D

T

A

I

R

R

I

A

T

A

V

M

D

D

P

D

N

S

G

V

A

A

W

L

L

L

L

V

D
|
D

-

A

-
x
N

-

S

-

C

-

Y

-

G

-

P

-

E

E

Q

A

A

I

I

A

E

L

V

C

G

K

K

G

M

L

L

-

E

N

Q

D

N

V

G

L

I

T

S

Y

H

A

Y

E
|
E

D

E

P

P

C

C

G

-

A

-

E

-

Q

-

G

P

F

Y

S

W

G

E

R

Y

E

E

V

Q

M

T

A

Q

E

Q

F

V

R

T

R

N

A

A

T

L

G

S

L

I

P

D

V

V

A

T

-

G

-
x
G

-
x
E

T

Q

N
x
D

M

C

I

E

A

L

T

Q

N

N

W

W

R

R

E

R

M

M

G

-

H

-

A

-

V

I

M

E

L

M

N

K

A

A

V

V

D

D

I

I

P

V

L
x
Q

A

P

D
|
D

-

I

P

C

H

Y

F

L

W

G

T

G

L

I

S

T

G

R

A

T

V

L

R

R

V

V

A

A

Q

E

L

M

C

A

D

H

D

K

W

A

G

G

L

L

T

P

W

C

G

T

C

P

H
|
H

S
x
A

N
x
A

N

N

H

L

F

S

D

M

I

V

S

T

L

L

A

-

M

-

F

F

T

T

-

M

H

H

V

L

G

L

A

R

A

A

A

I

P

P

G

N

N

A

P

G

T
x
K

A

Y

I

L

-
x
E

-

F

-

S

-

I

-

E

-

G

D

E

T

D

H

Y

W

Y

I

P

W

W

Q

Q

E

-

G

-

D

D

C

D

R

L

L

F

T

V

K

A

N

S

P

P

L

Y

E

E

I

I

K

V

H

D

G

G

K

K

I

A

A

T

V

V

P

T

D

D

A

L

P

P

G

G

L

W

G

G

V

V

E

E

L

V

active site: S120 (≠ R156), K147 (= K204), R149 (≠ K206), D159 (≠ I216), D185 (= D242), N187 (vs. gap), E211 (= E259), G236 (vs. gap), E237 (vs. gap), D239 (≠ N288), Q258 (≠ L310), D260 (= D312), H287 (= H338), A288 (≠ S339), A289 (≠ N340), K310 (≠ T362), E313 (vs. gap)
binding magnesium ion: D185 (= D242), E211 (= E259), E237 (vs. gap)

2ps2A Crystal structure of putative mandelate racemase/muconate lactonizing enzyme from aspergillus oryzae
23% identity, 87% coverage: 28:413/446 of query aligns to 18:361/361 of 2ps2A

query
sites
2ps2A

G

G

A

V

H
x
Y

N

Y

A

L

Y

S

F

F

T

D

R

A

N

T

I

I

V

V

V

R

L

I

T

T

D

T

S

D

A

T

G

G

N

I

T

E

G

G

V

W

G

G

E

E

A

S

-

T

P

P

G

F

G

G

E

S

V

N

I

Y

Y

I

Q

A

T

S

-

H

-

P

-

R

-

G

-

V

-

R

-

A

-

G

L

I

V

A

D

T

A

M

I

A

P

P

M

S

V

L

L

I

G

G

Q

L

E

D

I

P

A

R

R

R

L

V

N

D

K

R

V

I

V

-

Q

-

V

-

H

-

K

-

G

-

N

N

Q

D

A

A

A

M

D

D

F

D

D

A

T

L

F

L

G

G

K

H

G

E

A

-

W

-

T

-

F

-

E

-

L

-

R

-

V

-

N

D

A

A

V

K

A

T

A

A

L

I

E

D

A

V

A

A

L

C

L

W

D

D

L

I

L

F

G

G

K

K

A

S

L

V

N

G

V

L

P

P

V

V

C

C

E

E

L

L

G

-

P

-

G

-

K

-

Q

-

R

-

D

-

A

-

V

-

T

-

V

-

L

-

G

-

Y

-

L

-

F

-

Y

-

V

-

G

G

D

G

R

R

T

T

K

N

T

T

D

R

L

L

P

P

Y

L

L

I

E

S

S
|
S

T

I

P

Y

G

V

S

G

H

E

A

P

W

-

Y

-

R

-

L

-

R

-

H

-

Q

-

A

-

L

-

N

-

S

E

E

D

A

M

V

R

V

A

R

R

L

V

A

A

E

K

A

Y

A

R

Q

A

D

K

R

G

Y

Y

G

K

F

G

K
x
Q

D
x
S

F
x
V

K
|
K

L

I

K

S

G

G

G

E

V

P

L

V

P

T

G

D

E

A

Q

K

E

R

I

I

E

T

T

A

A

-

R

-

A

A

L

L

K

A

K

N

R

Q

F

Q

P

P

D

D

A

E

R

F

I

F

T

I

V

V

D
|
D

P

A

N

N

G

G

A

K

W

L

L

S

L

V

D

E

E

T

A

A

I

L

A

R

L

L

C

L

K

R

G

L

L

L

N

P

D

H

V

G

L

L

T

D

Y

F

A

A

-

L

E
|
E

D

A

P

P

C

C

G

A

A

-

E

-

Q

-

G

-

F

-

S

T

G

W

R

R

E

E

V

C

M

I

A

S

E

-

F

L

R

R

A

K

T

T

G

D

L

I

P

P

V

I

A

I

T

Y

N
x
D

M
x
E

I

L

A

A

T

T

N

N

W

E

R

M

E

S

M

I

G

V

H

K

A

I

V

L

M

A

L

D

N

D

A

A

V

A

D

E

-

G

I

I

P

D

L

L

A
x
K

D

I

P

S

H

K

F

A

W

G

T

G

L

L

S

T

G

R

A

G

V

R

R

R

V

Q

A

R

Q

D

L

I

C

C

D

L

D

A

W

A

G

G

L

Y

T

S

W

V

G

S

C

V

H
x
Q

S
x
E

N
x
T

N

C

H

G

F

S

D

D

I

I

S

A

L

F

A

A

M

A

F

I

T

V

H

H

V

L

G

A

A

Q

A

T

A

I

P

P

G

E

N

R

P

-

T

-

A

-

I

-

D

S

T

L

H

R

W
x
C

I
|
I

W
x
L

Q

E

E

C

G

R

D

D

C

M

R

V

L

T

T

V

K

K

N

T

-

A

-

D

-

G

P

A

L

F

E

D

I

I

K

Q

H

D

G

G

K

F

I

A

A

T

V

A

P

P

D

T

A

T

P

P

G

G

L

L

G

G

V

I

E

M

L

P

D

R

W

L

E

D

Q

V

V

L

Q

G

K

E

A

A

H

V

E

A

A

S

Y

Y

active site: Y21 (≠ H31), S132 (= S166), Q156 (≠ K201), S157 (≠ D202), V158 (≠ F203), K159 (= K204), D187 (= D234), E213 (= E259), D236 (≠ N288), E237 (≠ M289), K260 (≠ A311), Q287 (≠ H338), E288 (≠ S339), T289 (≠ N340), C313 (≠ W368), I314 (= I369), L315 (≠ W370)
binding magnesium ion: D187 (= D234), E213 (= E259), D236 (≠ N288)

Query Sequence

>BWI76_RS22830 FitnessBrowser__Koxy:BWI76_RS22830
MTTQSSPVITDMKVIPVAGQDSMLLNIGGAHNAYFTRNIVVLTDSAGNTGVGEAPGGEVI
YQTLVDAIPMVLGQEIARLNKVVQQVHKGNQAADFDTFGKGAWTFELRVNAVAALEAALL
DLLGKALNVPVCELLGPGKQRDAVTVLGYLFYVGDRTKTDLPYLESTPGSHAWYRLRHQQ
ALNSEAVVRLAEAAQDRYGFKDFKLKGGVLPGEQEIETARALKKRFPDARITVDPNGAWL
LDEAIALCKGLNDVLTYAEDPCGAEQGFSGREVMAEFRRATGLPVATNMIATNWREMGHA
VMLNAVDIPLADPHFWTLSGAVRVAQLCDDWGLTWGCHSNNHFDISLAMFTHVGAAAPGN
PTAIDTHWIWQEGDCRLTKNPLEIKHGKIAVPDAPGLGVELDWEQVQKAHEAYTRLPGGA
RNDAGPMQYLIPGWTFDRKRPVFGRH

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