SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BWI76_RS13570 FitnessBrowser__Koxy:BWI76_RS13570 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)

Q8ZL58 L-talarate/galactarate dehydratase; TalrD/GalrD; StTGD; EC 4.2.1.156; EC 4.2.1.42 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
94% identity, 100% coverage: 1:398/398 of query aligns to 1:398/398 of Q8ZL58

query
sites
Q8ZL58

M

M

T

A

S

L

S

S

A

A

N

N

S

S

E

D

S

A

V

V

T

T

Y

Y

A

A

K

K

A

A

S

A

G

N

V

T

K

R

T

T

A

A

E

E

T

T

G

G

D

D

R

R

I

I

E

E

H

W

V

V

K

K

L

L

S

S

L

L

A

A

F

F

L

L

P

P

L

L

A

A

T

T

P

P

V

V

S

S

D
|
D

A
|
A

K
|
K

V

V

L

L

T

T

G

G

R

R

Q

Q

K

K

P

P

L

L

T

T

E

E

V

V

A

A

I

I

A

A

E

E

I

I

R

R

S

S

R

R

D

D

G

G

F

F

E

E

G

G

V

V

G

G

F

F

S

S

Y

Y

S

S

K
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K

R
|
R

A

A

G

G

Q

Q

G

G

I

I

Y

Y

A

A

H

H

A

A

K

K

E

E

I

I

A

A

D

D

N

N

L

L

G

G

E

E

D

D

P

P

N

N

D

D

I

I

D

D

K

K

I

I

Y

Y

T

T

K

K

L

L

W

W

A

A

G

G

A

A

S

S

V

V

G

G

R

R

S

S

G

G

M

M

A

A

V

V

Q

Q

A

A

I

I

S

S

P

P

L

I

D

D

I

I

A

A

L

L

W

W

D

D

M

M

K

K

A

A

K

K

R

R

A

A

G

G

L

L

P

P

L

L

A

A

K

K

L

L

G

G

S

A

H

H

R

R

D

D

S

S

V

V

Q

Q

C

C

Y

Y

N

N

T

T

S

S

G

G

F

F

L

L

H

H

T

T

P

P

L

L

D

D

Q

Q

V

V

L

L

K

K

N

N

V

V

A

V

I

I

S

S

R

R

E

E

N

N

G

G

I

I

G

G

I

I

K
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K

L

L

K
|
K

V

V

G

G

Q

Q

P

P

N

N

T

C

A

A

E

E

D

D

I

I

R

R

L

L

T

T

A

A

V

V

R

R

E

E

V

A

L

L

G

G

D

D

D

E

F

F

P

P

L

L

M

M

V

V

D
|
D

A

A

N
|
N

Q

Q

W

W

D

D

R

R

E

E

T

T

A

A

I

I

R

R

M

M

G

G

R

R

K

K

M

M

E

E

P

Q

F

F

N

N

L

L

I

I

W

W

I

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E
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E

E

E

P

P

L

L

D

D

A

A

Y

Y

D

D

V

I

E

E

G

G

H

H

A

A

Q

Q

L

L

A

A

L

L

D

D

T

T

P

P

I

I

A

A

T

T

G

G

E
|
E

M

M

L

L

T

T

S

S

F

F

R

R

E

E

H

H

E

E

Q

Q

L

L

I

I

L

L

G

G

N

N

A

A

S

S

D

D

F

F

V

V

Q

Q

P

P

D

D

A

A

P

P

R

R

V

V

G

G

I

I

S

S

P

P

F

F

L

L

K

K

I

I

M

M

D

D

L

L

A

A

K

K

H

H

G

G

R

R

K

K

L

L

A

A

P

P

H
|
H

F

F

A

A

M

M

E

E

V

V

H

H

L

L

H

H

L

L

A

S

A

A

Y

Y

P

P

L

L

E

E

P

P

W

W

L

L

E
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E

H

H

F

F

E

E

W

W

L

L

N

N

P

P

L

L

F

F

N

N

E

E

Q

Q

L

L

E

E

L

L

R

R

D

D

G

G

R

R

M

M

W

W

V

I

S

S

E

D

R

R

H

H

G

G

L

L

G

G

F

F

T

T

L

L

S

S

E

E

Q

Q

A

A

R

R

W

W

T

T

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Q

Q

L

S

T

C

C

E

E

F

F

G

G

K

K

R

R

P

P

DAK 46:48 (= DAK 46:48) binding
KR 82:83 (= KR 82:83) binding
K195 (= K195) binding
K197 (= K197) active site, Proton acceptor; mutation to A: Loss of dehydration activity on both L-talarate and galactarate and loss of epimerization activity.
D226 (= D226) binding
N228 (= N228) binding
E252 (= E252) binding
E278 (= E278) binding
H328 (= H328) active site, Proton donor/acceptor; mutation H->N,A: Loss of dehydration activity on both L-talarate and galactarate and loss of epimerization activity.
E348 (= E348) binding

2pp1A Crystal structure of l-talarate/galactarate dehydratase from salmonella typhimurium lt2 liganded with mg and l-lyxarohydroxamate (see paper)
95% identity, 99% coverage: 4:398/398 of query aligns to 1:395/395 of 2pp1A

query
sites
2pp1A

S

S

A

A

N

N

S

S

E

D

S

A

V

V

T

T

Y

Y

A

A

K

K

A

A

S

A

G

N

V

T

K

R

T

T

A

A

E

E

T

T

G

G

D

D

R

R

I

I

E

E

H

W

V

V

K

K

L

L

S

S

L

L

A

A

F

F

L

L

P

P

L

L

A

A

T

T

P

P

V

V

S

S

D
|
D

A

A

K
|
K

V

V

L

L

T

T

G

G

R

R

Q

Q

K

K

P

P

L

L

T

T

E

E

V

V

A

A

I

I

A

A

E

E

I

I

R

R

S

S

R

R

D

D

G

G

F

F

E

E

G

G

V

V

G

G

F

F

S

S

Y

Y

S
|
S

K
|
K

R

R

A

A

G

G

Q

Q

G

G

I

I

Y

Y

A

A

H

H

A

A

K

K

E

E

I

I

A

A

D

D

N

N

L

L

G

G

E

E

D

D

P

P

N

N

D

D

I

I

D

D

K

K

I

I

Y

Y

T

T

K

K

L

L

W

W

A

A

G

G

A

A

S

S

V

V

G

G

R

R

S

S

G

G

M

M

A

A

V

V

Q

Q

A

A

I

I

S

S

P

P

L

I

D

D

I

I

A

A

L

L

W

W

D

D

M

M

K

K

A

A

K

K

R

R

A

A

G

G

L

L

P

P

L

L

A

A

K

K

L

L

G

G

S

A

H

H

R

R

D

D

S

S

V

V

Q

Q

C

C

Y

Y

N

N

T

T

S

S

G

G

F
|
F

L

L

H

H

T

T

P

P

L

L

D

D

Q

Q

V

V

L

L

K

K

N

N

V

V

A

V

I

I

S

S

R

R

E

E

N

N

G

G

I

I

G

G

I

I

K
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K

L

L

K
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K

V

V

G

G

Q

Q

P

P

N

N

T

C

A

A

E

E

D

D

I

I

R

R

L

L

T

T

A

A

V

V

R

R

E

E

V

A

L

L

G

G

D

D

D

E

F

F

P

P

L

L

M

M

V

V

D
|
D

A

A

N
|
N

Q

Q

W

W

D

D

R

R

E

E

T

T

A

A

I

I

R

R

M

M

G

G

R

R

K

K

M

M

E

E

P

Q

F

F

N

N

L

L

I

I

W

W

I

I

E
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E

E

E

P

P

L

L

D

D

A

A

Y

Y

D

D

V

I

E

E

G

G

H

H

A

A

Q

Q

L

L

A

A

L

L

D

D

T

T

P

P

I

I

A

A

T

T

G
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G

E
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E

M

M

L

L

T

T

S

S

F

F

R

R

E

E

H

H

E

E

Q

Q

L

L

I

I

L

L

G

G

N

N

A

A

S

S

D

D

F

F

V

V

Q

Q

P

P

D
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D

A

A

P

P

R

R

V

V

G

G

I

I

S

S

P

P

F

F

L

L

K

K

I

I

M

M

D

D

L

L

A

A

K

K

H

H

G

G

R

R

K

K

L

L

A

A

P

P

H
|
H

F

F

A

A

M

M

E

E

V

V

H

H

L

L

H

H

L

L

A

S

A

A

Y

Y

P

P

L

L

E

E

P

P

W

W

L

L

E
|
E

H

H

F

F

E

E

W

W

L

L

N

N

P

P

L

L

F

F

N

N

E

E

Q

Q

L

L

E

E

L

L

R

R

D

D

G

G

R

R

M

M

W

W

V

I

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S

E

D

R

R

H

H

G

G

L

L

G

G

F

F

T

T

L

L

S

S

E

E

Q

Q

A

A

R

R

W

W

T

T

Q

Q

Q

L

S

T

C

C

E

E

F

F

G

G

K

K

R

R

P

P

active site: K45 (= K48), S78 (= S81), K192 (= K195), K194 (= K197), D223 (= D226), N225 (= N228), E249 (= E252), G274 (= G277), E275 (= E278), D298 (= D301), H325 (= H328), E345 (= E348)
binding (2r,3s,4r)-2,3,4-trihydroxy-5-(hydroxyamino)-5-oxopentanoic acid: D43 (= D46), K45 (= K48), K79 (= K82), F168 (= F171), K194 (= K197), E275 (= E278), H325 (= H328), E345 (= E348)
binding magnesium ion: D223 (= D226), E249 (= E252), E275 (= E278)

2pp3A Crystal structure of l-talarate/galactarate dehydratase mutant k197a liganded with mg and l-glucarate (see paper)
95% identity, 99% coverage: 4:398/398 of query aligns to 1:395/395 of 2pp3A

query
sites
2pp3A

S

S

A

A

N

N

S

S

E

D

S

A

V

V

T

T

Y

Y

A

A

K

K

A

A

S

A

G

N

V

T

K

R

T

T

A

A

E

E

T

T

G

G

D

D

R

R

I

I

E

E

H

W

V

V

K

K

L

L

S

S

L

L

A

A

F

F

L

L

P

P

L

L

A

A

T

T

P

P

V

V

S

S

D
|
D

A

A

K
|
K

V

V

L

L

T

T

G

G

R

R

Q

Q

K

K

P

P

L

L

T

T

E

E

V

V

A

A

I

I

A

A

E

E

I

I

R

R

S

S

R

R

D

D

G

G

F

F

E

E

G

G

V

V

G

G

F

F

S

S

Y

Y

S
|
S

K
|
K

R

R

A

A

G

G

Q

Q

G

G

I

I

Y

Y

A

A

H

H

A

A

K

K

E

E

I

I

A

A

D

D

N

N

L

L

G

G

E

E

D

D

P

P

N

N

D

D

I

I

D

D

K

K

I

I

Y

Y

T

T

K

K

L

L

W

W

A

A

G

G

A

A

S

S

V

V

G

G

R

R

S

S

G

G

M

M

A

A

V

V

Q

Q

A

A

I

I

S

S

P

P

L

I

D

D

I

I

A

A

L

L

W

W

D

D

M

M

K

K

A

A

K

K

R

R

A

A

G

G

L

L

P

P

L

L

A

A

K

K

L

L

G

G

S

A

H

H

R

R

D

D

S

S

V

V

Q

Q

C

C

Y

Y

N

N

T

T

S

S

G

G

F

F

L

L

H

H

T

T

P

P

L

L

D

D

Q

Q

V

V

L

L

K

K

N

N

V

V

A

V

I

I

S

S

R

R

E

E

N

N

G

G

I

I

G

G

I

I

K
|
K

L

L

K
x
A

V

V

G

G

Q

Q

P

P

N

N

T

C

A

A

E

E

D

D

I

I

R

R

L

L

T

T

A

A

V

V

R

R

E

E

V

A

L

L

G

G

D

D

D

E

F

F

P

P

L

L

M

M

V

V

D
|
D

A

A

N
|
N

Q

Q

W

W

D

D

R

R

E

E

T

T

A

A

I

I

R

R

M

M

G

G

R

R

K

K

M

M

E

E

P

Q

F

F

N

N

L

L

I

I

W

W

I

I

E
|
E

E

E

P

P

L

L

D

D

A

A

Y

Y

D

D

V

I

E

E

G

G

H

H

A

A

Q

Q

L

L

A

A

L

L

D

D

T

T

P

P

I

I

A

A

T

T

G
|
G

E
|
E

M

M

L

L

T

T

S

S

F

F

R

R

E

E

H

H

E

E

Q

Q

L

L

I

I

L

L

G

G

N

N

A

A

S

S

D

D

F

F

V

V

Q

Q

P

P

D
|
D

A

A

P

P

R

R

V

V

G

G

I

I

S

S

P

P

F

F

L

L

K

K

I

I

M

M

D

D

L

L

A

A

K

K

H

H

G

G

R

R

K

K

L

L

A

A

P

P

H
|
H

F

F

A

A

M

M

E

E

V

V

H

H

L

L

H

H

L

L

A

S

A

A

Y

Y

P

P

L

L

E

E

P

P

W

W

L

L

E
|
E

H

H

F
|
F

E

E

W

W

L

L

N

N

P

P

L

L

F

F

N

N

E

E

Q

Q

L

L

E

E

L

L

R

R

D

D

G

G

R

R

M

M

W

W

V

I

S

S

E

D

R

R

H

H

G

G

L

L

G

G

F

F

T

T

L

L

S

S

E

E

Q

Q

A

A

R

R

W

W

T

T

Q

Q

Q

L

S

T

C

C

E

E

F

F

G

G

K

K

R

R

P

P

active site: K45 (= K48), S78 (= S81), K192 (= K195), A194 (≠ K197), D223 (= D226), N225 (= N228), E249 (= E252), G274 (= G277), E275 (= E278), D298 (= D301), H325 (= H328), E345 (= E348)
binding l-glucaric acid: D43 (= D46), K79 (= K82), K192 (= K195), D223 (= D226), N225 (= N228), E275 (= E278), H325 (= H328), E345 (= E348), F347 (= F350)
binding magnesium ion: D223 (= D226), E249 (= E252), E275 (= E278)

3cb3A Crystal structure of l-talarate dehydratase from polaromonas sp. Js666 complexed with mg and l-glucarate
69% identity, 93% coverage: 26:397/398 of query aligns to 2:373/373 of 3cb3A

query
sites
3cb3A

D

D

R

R

I

I

E

T

H

W

V

V

K

R

L

I

S

S

L

S

A

C

F

Y

L

L

P

P

L

L

A

A

T

T

P

P

V

I

S

S

D

D

A

A

K
|
K

V

V

L

L

T

T

G

G

R

R

Q

Q

K

K

P

P

L

M

T

T

E

E

V

I

A

A

I

I

I

L

I

F

A

A

E

E

I

I

R

E

S

T

R

A

D

G

G

G

F

H

E

Q

G

G

V

L

G

G

F

F

S

S

Y

Y

S
|
S

K

K

R

R

A

A

G

G

Q

P

G

G

I

Q

Y

F

A

A

H

H

A

A

K

R

E

E

I

I

A

A

D

P

N

A

L

L

L

I

G

G

E

E

D

D

P

P

N

S

D

D

I

I

D

A

K

K

I

L

Y

W

T

D

K

K

L

L

L

C

W

W

A

A

G

G

A

A

S

S

V

A

G

G

R

R

S

S

G

G

M

L

A

S

V

T

Q

Q

A

A

I

I

S

G

P

A

L

F

D

D

I

V

A

A

L

L

W

W

D

D

M

L

K

K

A

A

K

K

R

R

A

A

G

G

L

L

P

S

L

L

A

A

K

K

L

L

G

G

S

S

H

Y

R

R

D

D

S

S

V

V

Q

R

C

C

Y

Y

N

N

T
|
T

S

S

G

G

F

F

L

L

H

H

T

T

P

P

L

I

D

D

Q

Q

V

L

L

M

K

V

N

N

V

A

A

S

I

A

S

S

R

I

E

E

N

R

G

G

I

I

G

G

I

I

K
|
K

L

L

K
|
K

V

V

G

G

Q

Q

P

P

N

D

T

G

A

A

E

L

D

D

I

I

R

A

R

R

L

V

T

T

A

A

V

V

R

R

E

K

V

H

L

L

G

G

D

D

D

A

F

V

P

P

L

L

M

M

V

V

D
|
D

A

A

N
|
N

Q

Q

W

W

D

D

R

R

E

P

T

T

A

A

I

Q

R

R

M

M

G

C

R

R

K

I

M

F

E

E

P

P

F

F

N

N

L

L

I

V

W

W

I

I

E
|
E

E

E

P

P

L

L

D

D

A

A

Y

Y

D

D

V

H

E

E

G

G

H

H

A

A

Q

A

L

L

A
|
A

A

L

A

Q

L
x
F

D

D

T

T

P

P

I

I

A

A

T

T

G
|
G

E
|
E

M

M

L

L

T

T

S

S

F

A

R

A

E

E

H

H

E

G

Q

D

L

L

I

I

L

R

G

H

N

R

A

A

S

A

D

D

F

Y

V

L

Q
x
M

P

P

D
|
D

A

A

P

P

R

R

V

V

G

G

I

I

S

T

P

P

F

F

L

L

K

K

I

I

M

A

D

S

L

L

A

A

A

E

K

H

H

A

G

G

R

L

K

M

L

L

A

A

P

P

H
|
H

F
|
F

A
|
A

M

M

E

E

V

L

H

H

L

V

H

H

L

L

A

A

Y

Y

P

P

L

R

E

E

P

P

W

W

L

V

E
|
E

H

H

F

F

E

E

W

W

L

L

N

E

P

P

L

L

F

F

N

N

E

E

Q

R

L

I

E

E

L

I

R

R

D

D

G

G

R

R

M

M

W

L

V

V

S

P

E

T

R

R

H

P

G

G

L

L

G

G

F

L

T

T

L

L

S

S

E

G

Q

Q

A

V

R

K

R

A

W

W

T

T

Q

R

Q

E

S

E

C

A

E

Q

F

V

G

G

K

T

R

R

active site: K24 (= K48), S57 (= S81), T143 (= T167), K171 (= K195), K173 (= K197), D202 (= D226), N204 (= N228), E228 (= E252), G253 (= G277), E254 (= E278), M275 (≠ Q299), D277 (= D301), H304 (= H328), F305 (= F329), A306 (= A330), E324 (= E348)
binding l-glucaric acid: K171 (= K195), K173 (= K197), D202 (= D226), E254 (= E278), H304 (= H328)
binding magnesium ion: D202 (= D226), E228 (= E252), A243 (= A267), F246 (≠ L270), E254 (= E278)

2og9A Crystal structure of mandelate racemase/muconate lactonizing enzyme from polaromonas sp. Js666
66% identity, 94% coverage: 26:398/398 of query aligns to 3:363/363 of 2og9A

query
sites
2og9A

D

D

R

R

I

I

E

T

H

W

V

V

K

R

L

I

S

S

L

S

A

C

F

Y

L

L

P

P

L

L

A

A

T

T

P

P

V

I

S

-

D

-

A

-

K

-

V

-

L

-

T

-

G

-

R

-

Q

-

K

-

P

-

L

M

T

T

E

E

V

I

A

A

I

I

I

L

I

F

A

A

E

E

I

I

R

E

S

T

R

A

D

G

G

G

F

H

E

Q

G

G

V

L

G

G

F

F

S

S

Y

Y

S
|
S

K

K

R

R

A

A

G

G

Q

P

G

G

I

Q

Y

F

A

A

H

H

A

A

K

R

E

E

I

I

A

A

D

P

N

A

L

L

L

I

G

G

E

E

D

D

P

P

N

S

D

D

I

I

D

A

K

K

I

L

Y

W

T

D

K

K

L

L

L

C

W

W

A

A

G

G

A

A

S

S

V

A

G

G

R

R

S

S

G

G

M

L

A

S

V

T

Q

Q

A

A

I

I

S

G

P

A

L

F

D

D

I

V

A

A

L

L

W

W

D

D

M

L

K

K

A

A

K

K

R

R

A

A

G

G

L

L

P

S

L

L

A

A

K

K

L

L

G

G

S

S

H

Y

R

R

D

D

S

S

V

V

Q

R

C

C

Y

Y

N

N

T
|
T

S

S

G

G

F

F

L

L

H

H

T

T

P

P

L

I

D

D

Q

Q

V

L

L

M

K

V

N

N

V

A

A

S

I

A

S

S

R

I

E

E

N

R

G

G

I

I

G

G

I

I

K
|
K

L

L

K
|
K

V

V

G

G

Q

Q

P

P

N

D

T

G

A

A

E

L

D

D

I

I

R

A

R

R

L

V

T

T

A

A

V

V

R

R

E

K

V

H

L

L

G

G

D

D

D

A

F

V

P

P

L

L

M

M

V

V

D
|
D

A

A

N
|
N

Q

Q

W

W

D

D

R

R

E

P

T

T

A

A

I

Q

R

R

M

M

G

C

R

R

K

I

M

F

E

E

P

P

F

F

N

N

L

L

I

V

W

W

I

I

E
|
E

E

E

P

P

L

L

D

D

A

A

Y

Y

D

D

V

H

E

E

G

G

H

H

A

A

Q

A

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L

A
|
A

A

L

A

Q

L
x
F

D

D

T

T

P

P

I

I

A

A

T

T

G
|
G

E
|
E

M

M

L

L

T

T

S

S

F

A

R

A

E

E

H

H

E

G

Q

D

L

L

I

I

L

R

G

H

N

R

A

A

S

A

D

D

F

Y

V

L

Q
x
M

P

P

D
|
D

A

A

P

P

R

R

V

V

G

G

I

I

S

T

P

P

F

F

L

L

K

K

I

I

M

A

D

S

L

L

A

A

A

E

K

H

H

A

G

G

R

L

K

M

L

L

A

A

P

P

H
|
H

F
|
F

A
|
A

M

M

E

E

V

L

H

H

L

V

H

H

L

L

A

A

Y

Y

P

P

L

R

E

E

P

P

W

W

L

V

E
|
E

H

H

F

F

E

E

W

W

L

L

N

E

P

P

L

L

F

F

N

N

E

E

Q

R

L

I

E

E

L

I

R

R

D

D

G

G

R

R

M

M

W

L

V

V

S

P

E

T

R

R

H

P

G

G

L

L

G

G

F

L

T

T

L

L

S

S

E

G

Q

Q

A

V

R

K

R

A

W

W

T

T

Q

R

Q

E

S

E

C

A

E

Q

F

V

G

G

K

T

R

R

P

P

active site: S46 (= S81), T132 (= T167), K160 (= K195), K162 (= K197), D191 (= D226), N193 (= N228), E217 (= E252), G242 (= G277), E243 (= E278), M264 (≠ Q299), D266 (= D301), H293 (= H328), F294 (= F329), A295 (= A330), E313 (= E348)
binding calcium ion: A232 (= A267), F235 (≠ L270)

Q9RKF7 3,6-anhydro-alpha-L-galactonate cycloisomerase; AHGA cycloisomerase; EC 5.5.1.25 from Streptomyces coelicolor (strain ATCC BAA-471 / A3(2) / M145)
34% identity, 89% coverage: 28:380/398 of query aligns to 2:350/361 of Q9RKF7

query
sites
Q9RKF7

I

I

E

E

H

R

V

V

K

R

L

T

S

D

L

L

A

Y

F

R

L

I

P

P

L

L

A

P

T

T

P

R

V

L

S

T

D

D

A

S

K

T

V

-

L

-

T

-

G

-

R

-

Q

H

K

G

P

A

L

M

T

M

E

D

V

F

A

E

I

L

I

I

I

T

A

V

E

R

I

I

R

E

S

D

R

S

D

D

G

G

F

A

E

T

G

G

V

L

G

G

F

Y

S

T

Y

Y

S

T

K

V

R

N

A

H

G

G

Q

A

G

A

I

V

Y

A

A

T

H

M

A

V

-

D

K

K

E

D

I

L

A

R

D

G

N

C

L

L

G

G

E

A

D

D

P

A

N

E

D

Q

I

I

D

E

K

K

I

I

Y

W

T

Q

K

S

L

M

L

W

W

W

A

R

G

L

A

H

S

Y

V

A

G

G

R

R

S

G

G

G

M

H

A

A

V

T

Q

S

A

A

I

I

S

S

P

A

L

V

D

D

I

I

A

A

L

L

W

W

D

D

M

L

K

K

A

G

K

I

R

R

A

A

G

R

L

T

P

P

L

L

A

W

K

K

L

L

L

F

G

G

S

G

H

Y

R

D

D

P

S

V

V

V

Q

P

C

V

Y

Y

N

-

T

-

S

A

G

G

F

I

-

D

L

L

H

E

T

L

P

P

L

V

D

A

Q

D

V

L

L

K

K

T

N

Q

V

A

A

D

I

R

S

F

R

L

E

A

N

G

G

G

I

F

G

R

G

A

I

I

K

K

L

M

K

K

V

V

G

G

Q

R

P

P

N

D

T

L

A

K

E

E

D

D

I

V

R

D

R

R

L

V

T

S

A

A

V

L

R

R

E

E

V

H

L

L

G

G

D

D

D

S

F

F

P

P

L

L

M

M

V

V

D
|
D

A

A

N

N

Q

M

Q

K

W

W

D

T

R

V

E

D

T

G

A

A

I

I

R

R

M

A

G

A

R

R

K

A

M

L

E

A

P

P

F

F

N

D

L

L

I

H

W

W

I

I

E
|
E

E

E

P

P

L

T

D

I

A

P

Y

D

D

D

V

L

E

V

G

G

H

N

A

A

Q

R

L

I

A

V

A

R

A

E

L

S

D

G

T

H

P

T

I

I

A

A

T

G

G

G

E
|
E

M

N

L

L

T

H

S

T

F

L

R

Y

E

D

H

F

E

H

Q

N

L

A

I

V

L

R

G

A

N

G

A

S

S

L

D

T

F

L

V

P

Q

E

P

P

D

D

A

V

P

S

R

N

V

I

G

G

I

Y

S

T

P

T

F

F

L

R

K

K

I

V

M

A

D

A

L

L

A

A

A

E

K

A

H

N

G

N

R

M

K

L

L

L

A

T

P

S

H

H

F

G

A

V

M

H

E

D

V

L

H

T

L

V

H

H

L

A

A

L

A

A

A

S

Y

V

P

P

L

H

E

R

P

T

W

Y

L

M

E

E

-

A

H

H

F

G

E

F

W

G

L

L

N

H

P

A

L

Y

F

M

N

A

E

E

Q

P

L

M

E

A

L

V

R

T

D

D

G

G

R

C

M

V

W

S

V

A

S

P

E

D

R

R

H

P

G

G

L

H

G

G

F

V

T

V

L

L

D195 (= D226) binding
E221 (= E252) binding
E247 (= E278) binding

4h19A Crystal structure of an enolase (mandelate racemase subgroup, target efi-502087) from agrobacterium tumefaciens, with bound mg and d- ribonohydroxamate, ordered loop
34% identity, 91% coverage: 27:387/398 of query aligns to 2:367/372 of 4h19A

query
sites
4h19A

R

K

I

I

E

T

H

A

V

V

K

E

L

P

S

F

L

I

A

L

F

H

L

L

P

P

L

L

A

T

T

S

P

-

V

-

S

-

D

-

A

-

K

E

V

S

L
x
I

T

S

G
x
D

R

S

Q

T

K
x
H

P

S

L

I

T

T

E

H

V

W

A

G

I

V

I

G

A

A

E

K

I

I

R

T

S

T

R

S

D

D

G

G

F

I

E

E

G

G

V

Y

G

G

F

F

S

T

Y

-

S

-

K

-

R

-

A

-

G

-

Q

-

G

G

I
x
T

Y
x
H

A

A

H

H

-

L

-

P

-

S

-

D

-

R

-

L

-

I

A

T

K

S

E

C

I

I

A

S

D

D

N

C

-

Y

-

A

-

P

-

L

L

L

G

G

E

E

D

D

P

A

N

S

D

D

I

H

D

S

K

R

I

L

Y

W

T

T

K

K

L

L

L

A

-

R

-

Y

-

P

-

S

-

L

-

Q

W

W

A

-

G

-

A

-

S

-

V

V

G

G

R

R

S

A

G

G

M

I

A

T

V

H

Q

L

A

A

I

L

S

A

P

A

L

V

D

D

I

V

A

A

L

L

W

W

D

D

M

I

K

K

A

A

K

K

R

K

A

A

G

G

L

V

P

P

L

L

A

W

K

H

L

Y

L

L

G

G

S

G

H

A

R

R

D

T

S

A

-

G

V

V

Q

E

C

A

Y

Y

N

N

T
|
T

S

D

G

I

G

G

F

W

L

L

H

S

T

F

P

T

L

L

D

E

Q

D

V

L

L

L

K

A

N

G

V

S

A

A

I

R

S

A

-

V

R

E

E

E

N

D

G

G

I

F

G

T

G

R

I

L

K
|
K

L

I

K
|
K

V

V

G

G

Q

H

P

D

N

D

T

P

A

N

E

I

D

D

I

I

R

A

R

R

L

L

T

T

A

A

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active site: I20 (≠ L50), T51 (≠ I89), T143 (= T167), K172 (= K195), K174 (= K197), D203 (= D226), N205 (= N228), E229 (= E252), G254 (= G277), E255 (= E278), Q276 (= Q299), D278 (= D301), H305 (= H328), A306 (≠ F329), G307 (≠ A330), E327 (= E348)
binding (2R,3R,4R)-N,2,3,4,5-pentakis(oxidanyl)pentanamide: D22 (≠ G52), H25 (≠ K55), H52 (≠ Y90), K172 (= K195), K174 (= K197), D203 (= D226), N205 (= N228), E229 (= E252), E255 (= E278), H305 (= H328), E327 (= E348)
binding calcium ion: D268 (≠ L291), H298 (= H321)
binding magnesium ion: D203 (= D226), E229 (= E252), E255 (= E278)

3ck5A Crystal structure of a racemase from streptomyces coelicolor a3(2) with bound magnesium
34% identity, 89% coverage: 28:380/398 of query aligns to 2:347/357 of 3ck5A

query
sites
3ck5A

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active site: T19 (≠ S45), T50 (≠ S81), G137 (= G169), K164 (= K195), K166 (= K197), D195 (= D226), N197 (= N228), I220 (= I251), E221 (= E252), I243 (= I274), G246 (= G277), E247 (= E278), E268 (≠ Q299), D270 (= D301), H297 (= H328), G298 (≠ F329), V299 (≠ A330), Y315 (≠ W346), E317 (= E348)
binding magnesium ion: D195 (= D226), E221 (= E252), E247 (= E278)

5xd8B Crystal structure analysis of 3,6-anhydro-l-galactonate cycloisomerase (see paper)
35% identity, 81% coverage: 28:348/398 of query aligns to 5:319/367 of 5xd8B

query
sites
5xd8B

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active site: S22 (= S45), T53 (≠ S81), G140 (= G169), K167 (= K195), K169 (= K197), D198 (= D226), N200 (= N228), E224 (= E252), G249 (= G277), E250 (= E278), Q271 (= Q299), D273 (= D301), H300 (= H328), G301 (≠ F329), M302 (≠ A330), W317 (= W346), E319 (= E348)
binding magnesium ion: D198 (= D226), E224 (= E252), E250 (= E278)

Sites not aligning to the query:

active site: 324

3ugvF Crystal structure of an enolase from alpha pretobacterium bal199 (efi target efi-501650) with bound mg
31% identity, 84% coverage: 50:382/398 of query aligns to 20:355/364 of 3ugvF

query
sites
3ugvF

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E

E

active site: V20 (≠ L50), P51 (≠ S81), P54 (≠ A84), A95 (≠ S125), S137 (≠ T167), K168 (= K195), R170 (≠ K197), D199 (= D226), N201 (= N228), E225 (= E252), G250 (= G277), E251 (= E278), N252 (≠ M279), M272 (≠ Q299), D274 (= D301), A293 (≠ K320), H301 (= H328), L302 (≠ F329), Y303 (≠ A330), E321 (= E348)
binding magnesium ion: D199 (= D226), E225 (= E252), R240 (≠ A267), L243 (= L270), E251 (= E278)

3sjnA Crystal structure of enolase spea_3858 (target efi-500646) from shewanella pealeana with magnesium bound
34% identity, 71% coverage: 100:383/398 of query aligns to 71:365/373 of 3sjnA

query
sites
3sjnA

L

L

L

I

G

G

E

E

D

N

P

A

N

L

D

E

I

I

D

E

K

R

I

L

Y

W

T

N

K

K

L

M

L

Y

W

W

A

G

G

S

A

N

S

Y

V

M

G

G

R

R

S

R

G

G

M

A

A

G

V

I

Q

H

A

A

I

I

S

S

P

A

L

I

D

D

I

I

A

A

L

L

W

W

D

D

M

I

K

A

A

G

K

Q

R

F

A

Y

G

G

L

V

P

P

L

V

A

H

K

T

L

L

G

G

-

G

S

K

H

Y

R

R

D

D

S

K

V

I

Q

R

C

C

Y

Y

N

G

T
|
T

S

-

G

-

F

-

L

-

H

F

T

I

P

P

L

A

D

D

Q

K

V

P

L

E

K

D

N

N

V

V

A

A

I

I

S

V

-

Q

-

G

-

L

R

K

E

D

N

Q

G

G

I

F

G

S

I

I

K
|
K

L

F

K
x
G

V

G

G

G

-

V

-
x
M

-

G

-

D

Q

D

P

P

N

D

T

T

A

-

E

-

D

D

I

Y

R

A

R

I

L

V

T

K

A

A

V

V

R

R

E

E

V

A

L

A

G

G

D

P

D

E

F

M

P

E

L

V

M

Q

V

I

D
|
D

A

L

N
x
A

Q

S

Q

K

W

W

D

H

R

T

E

C

T

G

-

H

A

S

I

A

R

M

M

M

G

A

R

K

K

R

M

L

E

E

P

E

F

F

N

N

L

L

I

N

W

W

I

I

E
|
E

E

E

P

P

L

V

D

L

A

A

Y

D

D

S

V

L

E

I

G

S

H

Y

A

E

Q

K

L

L

A

S

A

R

A

Q

L

V

D

S

T

Q

P

K

I
|
I

A

A

T

G

G
|
G

E
|
E

M
x
S

L

L

T

T

S

T

F

R

R

Y

E

E

H

F

E

Q

Q

E

L

F

I

I

L

T

G

K

N

S

A

N

S

A

D

D

F

I

V

V

Q
|
Q

P

P

D
|
D

A

I

P

T

R

R

V

C

G

G

I

I

S

T

P

E

F

M

L

K

K

K

I

I

M

Y

D

D

L

I

A

A

A

Q

K

M

H

N

G

G

R

T

K

Q

L

L

A

I

P

P

H
|
H

-
x
G

-
x
F

-

S

-

T

-

G

F

I

A

L

M

L

E

H

V

A

H

S

L

V

H

H

L

F

A

L

A

A

Y

C

P

E

L

Q

E

G

P

T

W

L

L
x
M

E
|
E

H

F

F

S

E
x
Q

W

S

L
x
S

N

S

P

P

L

L

F

F

N

T

-

S

-

L

-

V

-

K

E

N

Q

Q

L

L

E

Q

L

F

R

D

D

N

G

G

R

F

M

V

W

A

V

V

S

S

E

D

R

A

H

P

G

G

L

L

G

G

F

I

T

E

L

L

S

D

E

E

Q

E

active site: T139 (= T167), K165 (= K195), G167 (≠ K197), M171 (vs. gap), D198 (= D226), A200 (≠ N228), E225 (= E252), I247 (= I274), G250 (= G277), E251 (= E278), S252 (≠ M279), Q272 (= Q299), D274 (= D301), H301 (= H328), G302 (vs. gap), F303 (vs. gap), M325 (≠ L347), E326 (= E348), Q329 (≠ E351), S331 (≠ L353)
binding magnesium ion: D198 (= D226), E225 (= E252), E251 (= E278)

Sites not aligning to the query:

active site: 46, 49

4hpnA Crystal structure of a proposed galactarolactone cycloisomerase from agrobacterium tumefaciens, target efi-500704, with bound ca, ordered loops (see paper)
31% identity, 90% coverage: 27:384/398 of query aligns to 2:369/378 of 4hpnA

query
sites
4hpnA

R

K

I

I

E

T

H

A

V

V

K

R

L

T

S

H

L

L

A

L

F

E

L

H

P

R

L

L

A

D

T

T

P

P

V
x
F

S

E

D

S

A

A

K

S

V

M

L

R

T

F

G

D

R

R

Q

R

K

-

P

-

L

-

T

-

E

-

V

-

A

A

I

H

I

V

I

L

A

V

E

E

I

I

R

E

S

C

R

D

D

D

G

G

F

T

E

V

G

G

V

W

G

G

F

E

S

C

Y

L

S
x
G

-

P

K

A

R
|
R

A

P

G

N

G

A

Q

A

G

V

I

V

Y

Q

A

A

H

Y

A

S

K

G

E

W

I

-

A

-

D

-

N

-

L

L

L

I

G

G

E

Q

D

D

P

P

N

R

D

Q

I

T

D

E

K

K

I

I

Y

W

T

A

K

V

L

L

L

Y

W

N

A

A

G

L

A

R

S

D

V

Q

G

G

R

Q

S

R

G

G

M

L

A

S

V

L

Q

T

A

A

I

L

S

S

P

G

L

I

D

D

I

I

A

A

L

L

W

W

D

D

M

I

K

K

A

G

K

K

R

H

A

Y

G

G

L

A

P

S

L

I

A

S

K

M

L

L

G

G

S

G

H

R

-

W

R

R

D

E

S

S

V

V

Q

R

C

A

Y

Y

N

A

T
|
T

S

-

G

G

G

S

F

F

L

K

H

R

T

D

P

N

L

V

D

D

Q

R

V

V

L

S

K

D

N

N

-

A

-

S

-

E

V

M

A

A

I

E

S

R

R

R

E

A

N

E

G

G

I

F

G

H

G

A

I

C

K
|
K

L

I

K
|
K

V

I

G

G

Q

F

P

-

N

G

T

V

A

E

E

E

D

D

I

L

R

R

R

V

L

I

T

A

A

A

V

V

R

R

E

E

V

A

L

I

G

G

D

P

D

D

F

M

P

R

L

L

M

M

V

I

D
|
D

A

A

N
|
N

Q

H

Q

G

W

Y

D

T

R

V

E

T

T

E

A

A

I

I

R

T

M

L

G

G

R
x
D

K

R

M

A

E

A

P

G

F

F

N

G

L

I

I

D

W

W

I

F

E
|
E

E

E

P

P

L

V

D

V

A

P

Y

E

D

Q

V

L

E

D

G

A

H

Y

A

A

Q

R

L

V

A

R

A

A

A
x
G

L

Q

D

P

T

I

P

P

I

V

A

A

T

G

G
|
G

E
|
E

M
x
T

L

W

T

H

S

G

F

R

R

Y

E

G

H

M

E

W

Q

Q

L

A

I

L

L

S

G

A

N

G

A

A

S

V

D

D

F

I

V

L

Q
|
Q

P

P

D
|
D

A

L

P

C

R

G

V

C

G

G

I

F

S

S

P

E

F

I

L

Q

K

K

I

I

M

A

D

T

L

L

A

A

A

T

K

L

H

H

G

G

R

V

K

R

L

I

A

V

P

P

H
|
H

-
x
V

-
x
W

-

G

-

T

-

G

F

V

A

Q

M

I

E

A

V

A

H

A

L

L

H

Q

L

F

A

M

A

A

Y

M

-

T

-

P

-

D

-

P

-

V

-
x
R

-

V

-

N

P

P

L

I

E

E

P

P

W

I

L

M

E
|
E

H
x
F

F

D

E

R

W

T

L
x
H

N

N

P

P

-

F

-

R

-

Q

-

A

L

V

F

L

N

R

E

E

Q

P

L

L

E

E

L

A

R

V

D

N

G

G

R

V

M

V

W

T

V

I

S

P

E

D

R

G

H

P

G

G

L

L

G

G

F

I

T

E

L

I

S

N

E

R

Q

D

A

A

active site: F19 (≠ V44), G50 (≠ S81), R53 (= R83), T134 (= T167), K164 (= K195), K166 (= K197), D194 (= D226), N196 (= N228), E220 (= E252), G245 (= G277), E246 (= E278), T247 (≠ M279), Q267 (= Q299), D269 (= D301), H296 (= H328), V297 (vs. gap), W298 (vs. gap), R320 (vs. gap), E329 (= E348), F330 (≠ H349), H334 (≠ L353)
binding calcium ion: D194 (= D226), D209 (≠ R241), E220 (= E252), G237 (≠ A269), E246 (= E278)

3ozmD Crystal structure of enolase superfamily member from bordetella bronchiseptica complexed with mg, m-xylarate and l-lyxarate
33% identity, 86% coverage: 40:380/398 of query aligns to 12:364/381 of 3ozmD

query
sites
3ozmD

L

L

A

S

T

T

P

P

V

I

S

P

D

E

-

R

A
x
M

K

R

V

V

L

E

T

S

G

G

R

A

Q

G

K

L

P

K

L

L

T

N

E

R

V

-

A

Q

I

M

I

I

I

L

A

V

E

E

I

V

R

R

S

T

R

D

D

E

G

G

F

V

E

T

G

G

V

V

G

G

F

S

S

P

Y

S

S
x
G

K

P

R

Y

A
x
D

G

L

G

A

Q

V

G

L

I

K

Y

R

A

A

H

I

A

E

K

D

E

V

I

I

A

G

D

P

N

Q

L

L

L

I

G

G

E

E

D

D

P

P

N

A

D

N

I

I

D

N

K

Y

I

L

Y

W

T

H

K

K

L

V

L

F

W

H

A

G

G

E

A

V

S

S

-

R

-

N

V

L

G

G

R

H

S

R

G

S

M

V

A

G

V

I

Q

A

A

A

I

M

S

S

P

G

L

V

D

D

I

I

A

A

L

L

W

W

D

D

M

L

K

K

A

G

K

R

R

A

A

M

G

N

L

Q

P

P

L

I

A

Y

K

Q

L

L

G

G

S

G

-

K

-

F

H

H

R

T

D

R

S

G

V

V

Q

R

C

A

Y

Y

N

A

T
x
S

S

S

G

I

G

Y

F

W

L

D

H

L

T

T

P

P

L

-

D

D

Q

Q

V

A

L

A

K

D

N

E

V

L

A

A

I

G

S

W

R

V

E

E

N

Q

G

G

I

F

G

T

G

A

I

A

K
|
K

L

L

K
|
K

V

V

G

G

Q

R

P

A

N

-

T

P

A

R

E

K

D

D

I

A

R

A

R

N

L

L

T

R

A

A

V

M

R

R

E

Q

V

R

L

V

G

G

D

A

D

D

F

V

P

E

L

I

M

L

V

V

D
|
D

A

A

N
|
N

Q

Q

Q

S

W

L

D

G

R

R

E

H

T

D

A

A

I

L

R

A

M

M

G

L

R

R

K

I

M

L

E

D

P

E

F

A

N

G

L

C

I

Y

W

W

I

F

E
|
E

E

E

P

P

L

L

D

S

A

I

Y

D

D

D

V

I

E

E

G

G

H

H

A

-

Q

R

L

I

A

L

A

R

A

A

L

Q

D

G

T

T

P

P

-

V

-

R

I

I

A

A

T

T

G
|
G

E
|
E

M
x
N

L

L

T

Y

S

T

F

R

R

N

E

A

H

F

E

N

Q

D

L

Y

I

I

L

R

G

N

N

D

A

A

S

I

D

D

F

V

V

L

Q
|
Q

P

A

D
|
D

A

A

P

S

R

R

V

A

G

G

I

I

S

T

P

E

F

A

L

L

K

A

I

I

M

S

D

A

L

S

A

A

K

S

H

A

G

H

R

L

K

A

L

W

A

N

P

P

H
|
H

-
x
T

-
x
F

-

N

-

D

-

I

F

I

A

T

M

V

E

A

V

A

H

N

L

L

H

H

L

L

A

V

A

A

Y

S

P

P

L

H

E

P

P

A

W

M

L

F

E
|
E

-

W

-

D

-
x
I

-

T

H
|
H

F

N

E

D

W

L

L

M

N

T

P

R

L

L

F

A

N

S

E

Y

Q

D

L

L

E

K

L

L

R

E

D

N

G

G

R

L

M

V

W

Q

V

P

S

P

E

Q

R

G

H

P

G

G

L

L

G

G

F

F

T

E

L

I

active site: M20 (≠ A47), G53 (≠ S81), D56 (≠ A84), S143 (≠ T167), K170 (= K195), K172 (= K197), D200 (= D226), N202 (= N228), E226 (= E252), G252 (= G277), E253 (= E278), N254 (≠ M279), Q274 (= Q299), D276 (= D301), H303 (= H328), T304 (vs. gap), F305 (vs. gap), E328 (= E348), I331 (vs. gap), H333 (= H349)
binding L-arabinaric acid: K172 (= K197), D200 (= D226), N202 (= N228), E253 (= E278), H303 (= H328), F305 (vs. gap), E328 (= E348)
binding magnesium ion: D200 (= D226), E226 (= E252), E253 (= E278)

3ozmA Crystal structure of enolase superfamily member from bordetella bronchiseptica complexed with mg, m-xylarate and l-lyxarate
33% identity, 86% coverage: 40:380/398 of query aligns to 12:364/386 of 3ozmA

query
sites
3ozmA

L

L

A

S

T

T

P

P

V

I

S

P

D

E

-

R

A
x
M

K

R

V

V

L

E

T
x
S

G

G

R

A

Q

G

K

L

P
x
K

L

L

T

N

E

R

V

-

A

Q

I

M

I

I

I

L

A

V

E

E

I

V

R

R

S

T

R

D

D

E

G

G

F

V

E

T

G

G

V

V

G

G

F

S

S

P

Y

S

S
x
G

K

P

R

Y

A
x
D

G

L

G

A

Q

V

G

L

I

K

Y

R

A

A

H

I

A

E

K

D

E

V

I

I

A

G

D

P

N

Q

L

L

L

I

G

G

E

E

D

D

P

P

N

A

D

N

I

I

D

N

K

Y

I

L

Y

W

T

H

K

K

L

V

L

F

W

H

A

G

G

E

A

V

S

S

-

R

-

N

V

L

G

G

R

H

S

R

G

S

M

V

A

G

V

I

Q

A

A

A

I

M

S

S

P

G

L

V

D

D

I

I

A

A

L

L

W

W

D

D

M

L

K

K

A

G

K

R

R

A

A

M

G

N

L

Q

P

P

L

I

A

Y

K

Q

L

L

G

G

S

G

-

K

-

F

H

H

R

T

D

R

S

G

V

V

Q

R

C

A

Y

Y

N

A

T
x
S

S

S

G

I

G
x
Y

F

W

L

D

H

L

T

T

P

P

L

-

D

D

Q

Q

V

A

L

A

K

D

N

E

V

L

A

A

I

G

S

W

R

V

E

E

N

Q

G

G

I

F

G

T

G

A

I

A

K
|
K

L

L

K
|
K

V

V

G

G

Q

R

P

A

N

-

T

P

A

R

E

K

D

D

I

A

R

A

R

N

L

L

T

R

A

A

V

M

R

R

E

Q

V

R

L

V

G

G

D

A

D

D

F

V

P

E

L

I

M

L

V

V

D
|
D

A

A

N
|
N

Q

Q

Q

S

W

L

D

G

R

R

E

H

T

D

A

A

I

L

R

A

M

M

G

L

R

R

K

I

M

L

E

D

P

E

F

A

N

G

L

C

I

Y

W

W

I

F

E
|
E

E

E

P

P

L

L

D

S

A

I

Y

D

D

D

V

I

E

E

G

G

H

H

A

-

Q

R

L

I

A

L

A

R

A

A

L

Q

D

G

T

T

P

P

-

V

-

R

I

I

A

A

T

T

G
|
G

E
|
E

M
x
N

L

L

T

Y

S

T

F

R

R

N

E

A

H

F

E

N

Q

D

L

Y

I

I

L

R

G

N

N

D

A

A

S

I

D

D

F

V

V

L

Q
|
Q

P

A

D
|
D

A

A

P

S

R

R

V

A

G

G

I

I

S

T

P

E

F

A

L

L

K

A

I

I

M

S

D

A

L

S

A

A

K

S

H

A

G

H

R

L

K

A

L

W

A

N

P

P

H
|
H

-
x
T

-
x
F

-

N

-

D

-

I

F

I

A

T

M

V

E

A

V

A

H

N

L

L

H

H

L

L

A

V

A

A

Y

S

P

P

L

H

E

P

P

A

W

M

L

F

E
|
E

-

W

-

D

-
x
I

-

T

H
|
H

F

N

E

D

W

L

L

M

N

T

P

R

L

L

F

A

N

S

E

Y

Q

D

L

L

E

K

L

L

R

E

D

N

G

G

R

L

M

V

W

Q

V

P

S

P

E

Q

R

G

H

P

G

G

L

L

G

G

F

F

T

E

L

I

active site: M20 (≠ A47), G53 (≠ S81), D56 (≠ A84), S143 (≠ T167), K170 (= K195), K172 (= K197), D200 (= D226), N202 (= N228), E226 (= E252), G252 (= G277), E253 (= E278), N254 (≠ M279), Q274 (= Q299), D276 (= D301), H303 (= H328), T304 (vs. gap), F305 (vs. gap), E328 (= E348), I331 (vs. gap), H333 (= H349)
binding D-xylaric acid: S24 (≠ T51), K29 (≠ P56), Y146 (≠ G170), K170 (= K195), K172 (= K197), D200 (= D226), N202 (= N228), E253 (= E278), H303 (= H328), F305 (vs. gap), E328 (= E348)
binding magnesium ion: D200 (= D226), E226 (= E252), E253 (= E278)

3op2A Crystal structure of putative mandelate racemase from bordetella bronchiseptica rb50 complexed with 2-oxoglutarate/phosphate
34% identity, 86% coverage: 40:380/398 of query aligns to 12:359/375 of 3op2A

query
sites
3op2A

L

L

A

S

T

T

P

P

V

I

S

P

D

E

-

R

A
x
M

K

R

V

V

L

E

T

S

G

G

R

A

Q

G

K

L

P

K

L

L

T

N

E

R

V

-

A

Q

I

M

I

I

I

L

A

V

E

E

I

V

R

R

S

T

R

D

D

E

G

G

F

V

E

T

G

G

V

V

G

G

F

S

S

P

Y

S

S
x
G

K

P

R

Y

A
x
D

G

L

G

A

Q

V

G

L

I

K

Y

R

A

A

H

I

A

E

K

D

E

V

I

I

A

G

D

P

N

Q

L

L

L

I

G

G

E

E

D

D

P

P

N

A

D

N

I

I

D

N

K

Y

I

L

Y

W

T

H

K

K

L

V

L

F

W

-

A

-

G

H

A

G

S

E

V

V

G

S

R

R

S

S

G

-

M

V

A

G

V

I

Q

A

A

A

I

M

S

S

P

G

L

V

D

D

I

I

A

A

L

L

W

W

D

D

M

L

K

K

A

G

K

R

R

A

A

M

G

N

L

Q

P

P

L

I

A

Y

K

Q

L

L

G

G

S

G

-

K

-

F

H

H

R

T

D

R

S

G

V

V

Q

R

C

A

Y

Y

N

A

T
x
S

S

S

G

I

G

Y

F

W

L

D

H

L

T

T

P

P

L

-

D

D

Q

Q

V

A

L

A

K

D

N

E

V

L

A

A

I

G

S

W

R

V

E

E

N

Q

G

G

I

F

G

T

G

A

I

A

K
|
K

L

L

K
|
K

V

V

G

G

Q

R

P

A

N

-

T

P

A

R

E

K

D

D

I

A

R

A

R

N

L

L

T

R

A

A

V

M

R

R

E

Q

V

R

L

V

G

G

D

A

D

D

F

V

P

E

L

I

M

L

V

V

D
|
D

A

A

N
|
N

Q

Q

Q

S

W

L

D

G

R

R

E

H

T

D

A

A

I

L

R

A

M

M

G

L

R

R

K

I

M

L

E

D

P

E

F

A

N

G

L

C

I

Y

W

W

I

F

E
|
E

E

E

P

P

L

L

D

S

A

I

Y

D

D

D

V

I

E

E

G

G

H

H

A

-

Q

R

L

I

A

L

A

R

A

A

L

Q

D

G

T

T

P

P

-

V

-

R

I

I

A

A

T

T

G
|
G

E
|
E

M
x
N

L

L

T

Y

S

T

F

R

R

N

E

A

H

F

E

N

Q

D

L

Y

I

I

L

R

G

N

N

D

A

A

S

I

D

D

F

V

V

L

Q
|
Q

P

A

D
|
D

A

A

P

S

R

R

V

A

G

G

I

I

S

T

P

E

F

A

L

L

K

A

I

I

M

S

D

A

L

S

A

A

K

S

H

A

G

H

R

L

K

A

L

W

A

N

P

P

H
|
H

-
x
T

-
x
F

-

N

-

D

-

I

F

I

A

T

M

V

E

A

V

A

H

N

L

L

H

H

L

L

A

V

A

A

Y

S

P

P

L

H

E

P

P

A

W

M

L

F

E
|
E

-

W

-

D

-
x
I

-

T

H
|
H

F

N

E

D

W

L

L

M

N

T

P

R

L

L

F

A

N

S

E

Y

Q

D

L

L

E

K

L

L

R

E

D

N

G

G

R

L

M

V

W

Q

V

P

S

P

E

Q

R

G

H

P

G

G

L

L

G

G

F

F

T

E

L

I

active site: M20 (≠ A47), G53 (≠ S81), D56 (≠ A84), S138 (≠ T167), K165 (= K195), K167 (= K197), D195 (= D226), N197 (= N228), E221 (= E252), G247 (= G277), E248 (= E278), N249 (≠ M279), Q269 (= Q299), D271 (= D301), H298 (= H328), T299 (vs. gap), F300 (vs. gap), E323 (= E348), I326 (vs. gap), H328 (= H349)
binding 2-oxoglutaric acid: K165 (= K195), K167 (= K197), D195 (= D226), E248 (= E278), H298 (= H328), E323 (= E348)
binding magnesium ion: D195 (= D226), E221 (= E252), E248 (= E278)

4kemA Crystal structure of a tartrate dehydratase from azospirillum, target efi-502395, with bound mg and a putative acrylate ion, ordered active site
33% identity, 71% coverage: 98:378/398 of query aligns to 76:373/390 of 4kemA

query
sites
4kemA

D

D

N

S

L

L

G

D

E

E

D

T

P

G

N

E

D

N

I

L

D

D

-

P

-

F

K

R

I

I

Y

W

T

T

K

R

L

L

L

M

W

-

A

T

G

N

A

E

S

K

V

P

G

G

R

G

S

H

G

G

M

E

A

R

V

S

Q

V

A

A

I

V

S

G

P

T

L

I

D

D

I

M

A

A

L

V

W

W

D

D

M

A

K

V

A

A

K

K

R

I

A

A

G

G

L

V

P

P

L

L

A

Y

K

R

L

L

-

A

-

D

-

R

-

F

-

R

-

G

G

G

S

V

H

A

R

D

D

D

S

G

V

V

Q

W

C

V

Y

Y

N

-

T

A

S
x
A

G

G

F

Y

L

Y

H

Y

T

P

P

G

L

K

D

D

-

V

Q

K

V

A

L

L

K

Q

N

D

V

E

A

M

I

R

S

S

-

Y

R

R

E

D

N

R

G

G

I

Y

G

R

G

V

I

V

K
|
K

L

M

K
|
K

V

I

G

G

Q

G

P

A

N

P

T

L

A

A

E

E

D

D

I

L

R

R

L

I

T

D

A

A

V

V

R

L

E

E

V

V

L

V

G

G

D

S

D

G

F

D

P

N

L

L

M

C

V
|
V

D
|
D

A
|
A

N
|
N

Q

G

Q

R

W

F

D

D

R

I

E

D

T

T

A

A

I

I

R

A

M

Y

G

G

R

E

K

A

M

L

E

K

P

P

F

Y

N

G

L

L

I

F

W

W

I

Y

E
|
E

E

E

P

A

L

G

D

D

A

P

Y

L

D

D

V

Y

E

A

G

L

H

Q

A

A

Q

E

L

L

A

A

A

K

A

H

L

Y

D

D

T

R

P

P

I

M

A

A

T

T

G
|
G

E
|
E

M

N

L

L

T

F

S

S

F

H

R

Q

E

D

H

A

E

R

Q

N

L

L

I

I

L

R

G

H

N

G

A

G

-

M

-

R

-

P

-
x
D

S

R

D

D

F

W

V

L

Q
|
Q

P

F

D
|
D

A

C

P

A

R

L

V

S

G

Y

G

G

I

L

S

V

P

E

F

Y

L

L

K

R

I

T

M

L

D

D

L

M

A

L

A

K

K

E

H

N

G

G

-

W

-

S

R
|
R

K

R

L

V

A

V

P

P

H
|
H

F

G

A

G

M

H

E

Q

V

M

H

S

L

L

H

N

L

I

A

A

A

G

Y

L

P

H

L

L

E

G

P

G

W

N

L
x
E

E

S

H

Y

F

P

E

D

W

V

L

F

N
x
K

P

P

L

F

-

C

-

G

F

F

N

A

E

D

Q

G

L

I

E

A

L

V

R

E

D

D

G

G

R

R

M

V

W

R

V

L

S

P

E

D

R

L

H

P

G

G

L

V

G

G

F

F

active site: A152 (≠ S168), K181 (= K195), K183 (= K197), V211 (= V225), D212 (= D226), A213 (= A227), N214 (= N228), E238 (= E252), G263 (= G277), E264 (= E278), D284 (vs. gap), Q289 (= Q299), D291 (= D301), R316 (= R323), H321 (= H328), E340 (≠ L347), K347 (≠ N354)
binding magnesium ion: D212 (= D226), E238 (= E252), E264 (= E278)

Sites not aligning to the query:

active site: 53

P11444 Mandelate racemase; MR; EC 5.1.2.2 from Pseudomonas putida (Arthrobacter siderocapsulatus) (see 3 papers)
30% identity, 66% coverage: 123:383/398 of query aligns to 95:352/359 of P11444

query
sites
P11444

G

G

R

Y

S

T

G

G

M

L

A

I

V

R

Q

M

A

A

I

A

S

A

P

G

L

I

D

D

I

M

A

A

L

A

W

W

D

D

M

A

K

L

A

G

K

K

R

V

A

H

G

E

L

T

P

P

L

L

A

V

K

K

L

L

G

G

S

A

H

N

R

A

D

R

S

P

V

V

Q

Q

C

A

Y

Y

N

D

T

S

S

-

G

-

F

-

L

-

H

H

T

S

P

-

L

L

D

D

Q

G

V

V

-

K

-

L

-

A

L

T

K

E

N

R

V

A

A

V

I

T

S

A

R

A

E

E

N

L

G

G

I

F

G

R

G

A

I

V

K

K

L

T

K
|
K

V

I

G

G

Q

Y

P

P

N

A

T

L

A

D

E

Q

D

D

I

L

R

A

R

V

L

V

T

R

A

S

V

I

R

R

E

Q

V

A

L

V

G

G

D

D

F

F

P

G

L

I

M

M

V

V

D
|
D

A

Y

N

N

Q

Q

Q

S

W

L

D

D

R

V

E

P

T

A

A

A

I

I

R

K

M

R

G

S

R

Q

K

A

M

L

E

Q

P

Q

F

E

N

G

L

V

I

T

W

W

I

I

E
|
E

E

E

P

P

L

T

D

L

A

Q

Y

H

D

D

V

Y

E

E

G

G

H

H

A

Q

Q

R

L

I

A

Q

A

S

A

K

L

L

D

N

T

V

P

P

I

V

A

Q

T

M

G

G

E
|
E

M

N

L

W

T

L

S

G

F

P

R

E

E

E

H

M

E

F

Q

K

L

A

I

L

L

S

G

I

N

G

A

A

S

C

D

R

F

L

V

A

Q

M

P

P

D

D

A

A

P

M

R

K

V

I

G

G

I

V

S

T

P

G

F

W

L

I

K

R

I

A

M

S

D

A

L

L

A

A

A

Q

K

Q

H

F

G

G

R

I

K

P

L

M

A

S

P

S

H
|
H

F

L

A

F

M

Q

E

E

V

I

H

S

L

A

H

H

L

L

A

L

A

A

Y

T

P

P

L

T

E

A

P

H

W

W

L

L

E
|
E

H

R

F

L

E

D

W

L

L

A

N

G

P

S

L

V

F

I

N

E

E

P

Q

T

L

L

E

T

L

F

R

E

D

G

G

G

R

N

M

A

W

V

V

I

S

P

E

D

R

L

H

P

G

G

L

V

G

G

F

I

T

I

L

W

S

R

E

E

Q

K

K166 (= K197) mutation K->A,M,Q: Loss of activity.
D195 (= D226) binding
E221 (= E252) binding
E247 (= E278) binding
H297 (= H328) mutation to N: Loss of activity.
E317 (= E348) binding ; mutation to Q: Reduces activity 10000-fold.

7mqxE P. Putida mandelate racemase forms an oxobenzoxaborole adduct with 2- formylphenylboronic acid (see paper)
30% identity, 66% coverage: 123:383/398 of query aligns to 94:351/358 of 7mqxE

query
sites
7mqxE

G

G

R

Y

S

T

G

G

M

L

A

I

V

R

Q

M

A

A

I

A

S

A

P

G

L

I

D

D

I

M

A

A

L

A

W

W

D

D

M

A

K

L

A

G

K

K

R

V

A

H

G

E

L

T

P

P

L

L

A

V

K

K

L

L

G

G

S

A

H

N

R

A

D

R

S

P

V

V

Q

Q

C

A

Y

Y

N

D

T

S

S

-

G

-

F

-

L

-

H

H

T

S

P

-

L

L

D

D

Q

G

V

V

-

K

-

L

-

A

L

T

K

E

N

R

V

A

A

V

I

T

S

A

R

A

E

E

N

L

G

G

I

F

G

R

G

A

I

V

K

K

L

T

K
|
K

V

I

G

G

Q

Y

P

P

N

A

T

L

A

D

E

Q

D

D

I

L

R

A

R

V

L

V

T

R

A

S

V

I

R

R

E

Q

V

A

L

V

G

G

D

D

F

F

P

G

L

I

M

M

V

V

D
|
D

A

Y

N
|
N

Q

Q

Q

S

W

L

D

D

R

V

E

P

T

A

A

A

I

I

R

K

M

R

G

S

R

Q

K

A

M

L

E

Q

P

Q

F

E

N

G

L

V

I

T

W

W

I

I

E
|
E

E

E

P

P

L

T

D

L

A

Q

Y

H

D

D

V

Y

E

E

G

G

H

H

A

Q

Q

R

L

I

A

Q

A

S

A

K

L

L

D

N

T

V

P

P

I

V

A

Q

T

M

G

G

E
|
E

M

N

L

W

T

L

S

G

F

P

R

E

E

E

H

M

E

F

Q

K

L

A

I

L

L

S

G

I

N

G

A

A

S

C

D

R

F

L

V

A

Q

M

P

P

D

D

A

A

P

M

R

K

V

I

G

G

I

V

S

T

P

G

F

W

L

I

K

R

I

A

M

S

D

A

L

L

A

A

A

Q

K

Q

H

F

G

G

R

I

K

P

L

M

A

S

P

S

H
|
H

F

L

A

F

M

Q

E

E

V

I

H

S

L

A

H

H

L

L

A

L

A

A

Y

T

P

P

L

T

E

A

P

H

W

W

L

L

E
|
E

H

R

F

L

E

D

W

L

L

A

N

G

P

S

L

V

F

I

N

E

E

P

Q

T

L

L

E

T

L

F

R

E

D

G

G

G

R

N

M

A

W

V

V

I

S

P

E

D

R

L

H

P

G

G

L

V

G

G

F

I

T

I

L

W

S

R

E

E

Q

K

binding magnesium ion: D194 (= D226), E220 (= E252), E246 (= E278)
binding (3S)-2,1-benzoxaborole-1,3(3H)-diol: K165 (= K197), D194 (= D226), N196 (= N228), E246 (= E278), H296 (= H328), E316 (= E348)

Sites not aligning to the query:

binding (3S)-2,1-benzoxaborole-1,3(3H)-diol: 21

6vimA P. Putida mandelate racemase co-crystallized with phenylboronic acid (see paper)
30% identity, 66% coverage: 123:383/398 of query aligns to 93:350/357 of 6vimA

query
sites
6vimA

G

G

R

Y

S

T

G

G

M

L

A

I

V

R

Q

M

A

A

I

A

S

A

P

G

L

I

D

D

I

M

A

A

L

A

W

W

D

D

M

A

K

L

A

G

K

K

R

V

A

H

G

E

L

T

P

P

L

L

A

V

K

K

L

L

G

G

S

A

H

N

R

A

D

R

S

P

V

V

Q

Q

C

A

Y

Y

N

D

T
x
S

S

H

G

S

G

-

F

-

L

-

H

-

T

-

P

-

L

L

D

D

Q

G

V

V

-

K

-

L

-

A

L

T

K

E

N

R

V

A

A

V

I

T

S

A

R

A

E

E

N

L

G

G

I

F

G

R

G

A

I

V

K
|
K

L

T

K
|
K

V

I

G

G

Q

Y

P

P

N

A

T

L

A

D

E

Q

D

D

I

L

R

A

R

V

L

V

T

R

A

S

V

I

R

R

E

Q

V

A

L

V

G

G

D

D

F

F

P

G

L

I

M

M

V

V

D
|
D

A

Y

N
|
N

Q

Q

Q

S

W

L

D

D

R

V

E

P

T

A

A

A

I

I

R

K

M

R

G

S

R

Q

K

A

M

L

E

Q

P

Q

F

E

N

G

L

V

I

T

W

W

I

I

E
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E

E

E

P

P

L

T

D

L

A

Q

Y

H

D

D

V

Y

E

E

G

G

H

H

A

Q

Q

R

L

I

A

Q

A

S

A

K

L

L

D

N

T

V

P

P

I

V

A

Q

T

M

G
|
G

E
|
E

M

N

L

W

T

L

S

G

F

P

R

E

E

E

H

M

E

F

Q

K

L

A

I

L

L

S

G

I

N

G

A

A

S

C

D

R

F

L

V

A

Q

M

P

P

D
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D

A

A

P

M

R

K

V

I

G

G

I

V

S

T

P

G

F

W

L

I

K

R

I

A

M

S

D

A

L

L

A

A

A

Q

K

Q

H

F

G

G

R

I

K

P

L

M

A

S

P

S

H
|
H

F
x
L

A
x
F

M

Q

E

E

V

I

H

S

L

A

H

H

L

L

A

L

A

A

Y

T

P

P

L

T

E

A

P

H

W

W

L

L

E
|
E

H

R

F
x
L

E

D

W

L

L

A

N

G

P

S

L

V

F

I

N

E

E

P

Q

T

L

L

E

T

L

F

R

E

D

G

G

G

R

N

M

A

W

V

V

I

S

P

E

D

R

L

H

P

G

G

L

V

G

G

F

I

T

I

L

W

S

R

E

E

Q

K

active site: S137 (≠ T167), K162 (= K195), K164 (= K197), D193 (= D226), N195 (= N228), E219 (= E252), G244 (= G277), E245 (= E278), D268 (= D301), H295 (= H328), L296 (≠ F329), F297 (≠ A330), E315 (= E348)
binding magnesium ion: D193 (= D226), E219 (= E252), E245 (= E278)
binding phenyl boronic acid: K162 (= K195), K164 (= K197), D193 (= D226), E245 (= E278), H295 (= H328), L296 (≠ F329), E315 (= E348), L317 (≠ F350)

Sites not aligning to the query:

active site: 20
binding phenyl boronic acid: 20

4x2pA P. Putida mandelate racemase in complex with 3-hydroxypyruvate (see paper)
30% identity, 66% coverage: 123:383/398 of query aligns to 93:350/357 of 4x2pA

query
sites
4x2pA

G

G

R

Y

S

T

G

G

M

L

A

I

V

R

Q

M

A

A

I

A

S

A

P

G

L

I

D

D

I

M

A

A

L

A

W

W

D

D

M

A

K

L

A

G

K

K

R

V

A

H

G

E

L

T

P

P

L

L

A

V

K

K

L

L

G

G

S

A

H

N

R

A

D

R

S

P

V

V

Q

Q

C

A

Y

Y

N

D

T
x
S

S

H

G

S

G

-

F

-

L

-

H

-

T

-

P

-

L

L

D

D

Q

G

V

V

-

K

-

L

-

A

L

T

K

E

N

R

V

A

A

V

I

T

S

A

R

A

E

E

N

L

G

G

I

F

G

R

G

A

I

V

K
|
K

L

T

K
|
K

V

I

G

G

Q

Y

P

P

N

A

T

L

A

D

E

Q

D

D

I

L

R

A

R

V

L

V

T

R

A

S

V

I

R

R

E

Q

V

A

L

V

G

G

D

D

F

F

P

G

L

I

M

M

V

V

D
|
D

A

Y

N
|
N

Q

Q

Q

S

W

L

D

D

R

V

E

P

T

A

A

A

I

I

R

K

M

R

G

S

R

Q

K

A

M

L

E

Q

P

Q

F

E

N

G

L

V

I

T

W

W

I

I

E
|
E

E

E

P

P

L

T

D

L

A

Q

Y

H

D

D

V

Y

E

E

G

G

H

H

A

Q

Q

R

L

I

A

Q

A

S

A

K

L

L

D

N

T

V

P

P

I

V

A

Q

T

M

G
|
G

E
|
E

M

N

L

W

T

L

S

G

F

P

R

E

E

E

H

M

E

F

Q

K

L

A

I

L

L

S

G

I

N

G

A

A

S

C

D

R

F

L

V

A

Q

M

P

P

D
|
D

A

A

P

M

R

K

V

I

G

G

I

V

S

T

P

G

F

W

L

I

K

R

I

A

M

S

D

A

L

L

A

A

A

Q

K

Q

H

F

G

G

R

I

K

P

L
x
M

A

S

P

S

H
|
H

F
x
L

A
x
F

M

Q

E

E

V

I

H

S

L

A

H

H

L

L

A

L

A

A

Y

T

P

P

L

T

E
x
A

P

H

W

W

L

L

E
|
E

H

R

F

L

E

D

W

L

L

A

N

G

P

S

L

V

F

I

N

E

E

P

Q

T

L

L

E

T

L

F

R

E

D

G

G

G

R

N

M

A

W

V

V

I

S

P

E

D

R

L

H

P

G

G

L

V

G

G

F

I

T

I

L

W

S

R

E

E

Q

K

active site: S137 (≠ T167), K162 (= K195), K164 (= K197), D193 (= D226), N195 (= N228), E219 (= E252), G244 (= G277), E245 (= E278), D268 (= D301), M292 (≠ L325), H295 (= H328), L296 (≠ F329), F297 (≠ A330), A311 (≠ E344), E315 (= E348)
binding 3-hydroxypyruvic acid: K162 (= K195), K164 (= K197), D193 (= D226), H295 (= H328), E315 (= E348)
binding magnesium ion: D193 (= D226), E219 (= E252), E245 (= E278)

Sites not aligning to the query:

active site: 20

Query Sequence

>BWI76_RS13570 FitnessBrowser__Koxy:BWI76_RS13570
MTSSANSESVTYAKASGVKTAAETGDRIEHVKLSLAFLPLATPVSDAKVLTGRQKPLTEV
AIIIAEIRSRDGFEGVGFSYSKRAGGQGIYAHAKEIADNLLGEDPNDIDKIYTKLLWAGA
SVGRSGMAVQAISPLDIALWDMKAKRAGLPLAKLLGSHRDSVQCYNTSGGFLHTPLDQVL
KNVAISRENGIGGIKLKVGQPNTAEDIRRLTAVREVLGDDFPLMVDANQQWDRETAIRMG
RKMEPFNLIWIEEPLDAYDVEGHAQLAAALDTPIATGEMLTSFREHEQLILGNASDFVQP
DAPRVGGISPFLKIMDLAAKHGRKLAPHFAMEVHLHLAAAYPLEPWLEHFEWLNPLFNEQ
LELRDGRMWVSERHGLGFTLSEQARRWTQQSCEFGKRP

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