SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013835176.1 NCBI__GCF_000214825.1:WP_013835176.1 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)

5ey5B Lbcats
71% identity, 94% coverage: 19:401/407 of query aligns to 1:383/383 of 5ey5B

query
sites
5ey5B

G

G

H

R

F

F

G

G

P

K

Y

Y

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

M

A

P

P

A

L

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E

E

A

E

L

L

R

E

D

E

Q

A

Y

Y

A

E

A

R

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A

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K

D

N

D

D

P

P

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E

F

F

R

Q

A

A

E

E

L

L

L

E

N

Y

D

Y

Y

L

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R

N

D

Y

Y

I

V

G

G

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R

P

P

T

T

P

P

L

L

Y

Y

H

F

A

A

K

E

R

N

W

L

S

T

E

K

H

D

L

L

G

G

G

G

A

A

Q

K

I

I

Y

Y

L

L

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K

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R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

A

H
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H

K
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K

I

I

N

N

N

N

T

A

I

L

G

G

Q

Q

A

A

L

L

L

L

A

A

K

K

R

R

L

M

G

G

K

K

T

K

R

R

I

V

I

I

A

A

E

E

T

T

G

G

A

A

G

G

Q
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Q

H

H

G

G

V

V

A

A

S

T

A

A

T

T

V

V

A

A

A

A

R

M

L

F

G

G

L

L

E

E

C

C

V

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V

Y

Y

M

M

G

G

A

A

D

E

D

D

V

I

V

E

R

R

Q

Q

A

A

P

L

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

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K

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R

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P

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T

S

S

G

G

T

S

R

R

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

M

R

R

D

D

W

W

V

V

T

T

N

N

V

V

D

E

D

D

T

T

F

F

Y

Y

I

I

I

I

G

G

T
x
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

M

M

M

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R

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D

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F

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G

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E

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P

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D

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I

M

V

A

A

C

C

V

V

G
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G

G

G

G
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G

S
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S

N
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N

A

A

M

M

G

G

L

I

F

F

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H

A

P

F

F

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D

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E

A

A

G

A

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G

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T

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G

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H

A

A

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L

C

S

K

A

G

G

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P

G

G

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V

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L

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H

G

G

N

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T

Y

Y

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L

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E

E

A

D

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G

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Q

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A

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A

A

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D

Y

Y

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P

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P

E

E

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A

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Y

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L

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K

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D

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G

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A

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Y

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K

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Q

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V

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N

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R

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G

D

D

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D

M

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R

binding pyridoxal-5'-phosphate: H81 (= H99), K82 (= K100), Q109 (= Q127), S185 (≠ T203), G227 (= G245), G229 (= G247), S230 (= S248), N231 (= N249), E345 (= E363), S371 (= S389), G372 (= G390)

5t6mB Structure of the tryptophan synthase b-subunit from pyroccus furiosus with b-methyltryptophan non-covalently bound (see paper)
60% identity, 94% coverage: 21:404/407 of query aligns to 3:386/386 of 5t6mB

query
sites
5t6mB

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

I

A

E

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
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K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

L

L

L

A

A

K

K

R

F

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E
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E

T
|
T

G

G

A
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A

G

G

Q
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Q

H
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H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

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V

I

P

P

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V

E

N

S

S

G

G

T

S

R

R

T

T

L

L

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K

D

D

A

A

L

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T

S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

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R

D

D

F

F

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A

S

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G

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K

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E

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P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

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K

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A

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A

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A

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H

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G

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R

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G

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D

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Y

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P

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E

L

H

A

A

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Y

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K

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R

A

A

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Y

F

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T

D

D

D

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E

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A

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E

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N

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L

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S

G

G

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R

G

G

D

D

K

K

D

D

M

L

N

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T

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I

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A

L

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K

V

V

E

S

G

G

active site: K82 (= K100), E104 (= E122), S371 (= S389)
binding (betaS)-beta-methyl-L-tryptophan: K82 (= K100), E104 (= E122), T105 (= T123), A107 (= A125), Q109 (= Q127), H110 (= H128), G298 (= G316), Y301 (= Y319)

1v8zA X-ray crystal structure of the tryptophan synthase b2 subunit from hyperthermophile, pyrococcus furiosus (see paper)
60% identity, 94% coverage: 21:404/407 of query aligns to 3:386/386 of 1v8zA

query
sites
1v8zA

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

I

A

E

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

L

L

L

A

A

K

K

R

F

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E
|
E

T

T

G

G

A

A

G

G

Q
|
Q

H

H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

V

V

I

P

P

V

V

E

N

S

S

G

G

T

S

R

R

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

A

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

Q

A

Q

Q

M

I

L

L

D

E

Q

A

E

E

G

G

V

Q

L

L

P

P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G
|
G

G
|
G

G
|
G

S
|
S

N
|
N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

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S

K

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K

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E

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A

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H

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C

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K

A

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G

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F

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H

G

G

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Y

L

F

M

L

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Q

D

D

E

E

A

E

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G

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Q

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I

M

K

G

P

T

T

H

H

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S

I

I

S

A

A

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G

G

L

L

D

D

Y

Y

P

P

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V

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G

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P

E

E

L

H

A

A

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Y

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L

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K

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K

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R

A

A

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F

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F

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T

T

D

D

D

E

E

E

A

A

M

L

A

K

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A

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E

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G

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A

A

L

L

E
|
E

T

S

S

A

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H

A

A

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V

A

A

Y

Y

A

A

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K

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L

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L

M

P

S

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E

R

I

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I

I

I

I

V

N

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L

S
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S

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G

R

R

G

G

D

D

K

K

D

D

M

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N

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T

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I

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K

V

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G

G

active site: K82 (= K100), E104 (= E122), S371 (= S389)
binding pyridoxal-5'-phosphate: H81 (= H99), K82 (= K100), Q109 (= Q127), S185 (≠ T203), G227 (= G245), G228 (= G246), G229 (= G247), S230 (= S248), N231 (= N249), E345 (= E363), S371 (= S389), G372 (= G390)

5dw0A Trpb from pyrococcus furiosus with l-serine bound as the external aldimine (see paper)
60% identity, 94% coverage: 21:404/407 of query aligns to 3:386/388 of 5dw0A

query
sites
5dw0A

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

I

A

E

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

L

L

L

A

A

K

K

R

F

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

V

V

I

P

P

V

V

E

N

S

S

G

G

T

S

R

R

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

A

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

Q

A

Q

Q

M

I

L

L

D

E

Q

A

E

E

G

G

V

Q

L

L

P

P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

K

S

K

V

V

R

K

I

L

I

V

G

G

V

V

E

E

A

A

G

G

G

G

D

K

G

G

L

L

E

E

T

S

G

G

R

K

H

H

A

S

A

A

P

S

L

L

C

N

K

A

G

G

T

Q

P

V

G

G

V

V

L

F

H

H

G

G

N

M

R

L

T

S

Y

Y

L

F

M

L

Q

Q

D

D

E

E

A

E

G

G

Q

Q

I

I

M

K

G

P

T

T

H

H

S

S

I

I

S

A

A

P

G
|
G

L

L

D
|
D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

L

K

K

D

K

I

I

G

Q

R

R

A

A

E

E

F

Y

F

V

A

T

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

K

G

A

W

F

R

H

D

E

V

L

T

S

R

R

M

T

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E
|
E

T

S

S

A

H

H

A

A

L

V

A

A

Y

Y

A

A

I

M

K

K

L

L

A

A

P

K

T

E

L

M

P

S

K

R

T

D

Q

E

R

I

I

I

I

I

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

L

N

D

T

I

I

V

A

L

K

K

V

V

E

S

G

G

active site: K82 (= K100), E104 (= E122), S371 (= S389)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine: H81 (= H99), K82 (= K100), T105 (= T123), G106 (= G124), A107 (= A125), Q109 (= Q127), H110 (= H128), S185 (≠ T203), G227 (= G245), G229 (= G247), S230 (= S248), N231 (= N249), G298 (= G316), D300 (= D318), E345 (= E363), S371 (= S389)

5ocwB Structure of mycobacterium tuberculosis tryptophan synthase in space group f222 (see paper)
60% identity, 97% coverage: 12:405/407 of query aligns to 2:398/399 of 5ocwB

query
sites
5ocwB

S

S

Q

H

Y

D

P

P

D

D

S

S

Q

G

G

G

H

H

F

F

G

G

P

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F

Y

A

V

P

P

E

E

T

A

L

L

M

M

A

A

P

V

L

I

E

E

A

E

L

V

R

T

D

A

Q

A

Y

Y

A

Q

A

K

V

E

K

R

D

V

D

S

P

Q

V

D

F

F

R

L

A

D

E

D

L

L

L

D

N

R

D

L

Y

Q

Q

A

N

N

Y

Y

I

A

G

G

R

R

P

P

T

S

P

P

L

L

Y

Y

H

E

A

A

K

T

R

R

W

L

S

S

E

Q

H

H

L

A

G

G

G

S

A

A

Q

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

T

V

I

L

G

G

Q

Q

A

A

L

L

L

L

A

A

K

R

R

R

L

M

G

G

K

K

T

T

R

R

I

V

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

T

V

A

A

C

A

A

R

L

L

L

G

G

L

L

E

D

C

C

V

V

V

I

Y

Y

M

M

G

G

A

G

D

I

D

D

V

T

V

A

R

R

Q

Q

A

A

P

L

N

N

V

V

A

A

R

R

M

M

K

R

M

L

L

L

G

G

A

A

T

E

V

V

V

V

P

A

V

V

E

Q

S

T

G

G

T

S

R

K

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

F

R

R

D

D

W

W

V

V

T

A

N

N

V

A

D

D

D

N

T

T

F

Y

Y

Y

I

C

I

F

G

G

T
|
T

V

A

A

A

G

G

P

P

H

H

P

P

Y

F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

A

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

Q

V

Q

Q

M

I

L

Q

D

G

Q

Q

E

A

G

G

V

R

L

L

P

P

D

D

I

A

V

V

M

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

M

I

G

G

L

I

F

F

H

H

A

A

F

F

L

L

P

D

D

D

E

P

S

G

V

V

R

R

I

L

I

V

G

G

V

F

E

E

A

A

G

A

G

G

D

D

G

G

L

V

E

E

T

T

G

G

R

R

H

H

A

A

A

A

P

T

L

F

C

T

K

A

G

G

T

S

P

P

G

G

V

A

L

F

H

H

G

G

N

S

R

F

T

S

Y

Y

L

L

M

L

Q

Q

D

D

E

E

A

D

G

G

Q

Q

I

T

M

I

G

E

T

S

H

H

S

S

I

I

S

S

A

A

G
|
G

L

L

D

D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

W

L

L

K

K

D

E

I

A

G

G

R

R

A

V

E

D

F

Y

F

R

A

P

V

I

T

T

D

D

D

S

E

E

A

A

M

M

A

D

G

A

W

F

R

G

D

L

V

L

T

C

R

R

M

M

E

E

G

G

I

I

I

I

S

P

A

A

L

I

E
|
E

T

S

S

A

H

H

A

A

L

V

A

A

Y

G

A

A

I

L

K

K

L

L

A

G

P

V

T

E

L

L

P

G

K

R

T

G

Q

A

R

V

I

I

I

V

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

V

N

E

T

T

I

A

A

A

K

K

V

W

E

F

G

G

F

L

active site: K93 (= K100), E115 (= E122), S382 (= S389)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H92 (= H99), K93 (= K100), T116 (= T123), G117 (= G124), A118 (= A125), Q120 (= Q127), H121 (= H128), T196 (= T203), G238 (= G245), G240 (= G247), S241 (= S248), N242 (= N249), G309 (= G316), E356 (= E363), S382 (= S389)

6u6cB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk2-bound form (see paper)
60% identity, 97% coverage: 12:405/407 of query aligns to 7:403/405 of 6u6cB

query
sites
6u6cB

S

S

Q

H

Y

D

P

P

D

D

S

S

Q

G

G

G

H

H

F

F

G

G

P

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F
x
Y

A

V

P

P

E

E

T

A

L

L

M

M

A

A

P

V

L

I

E

E

A

E

L

V

R

T

D

A

Q

A

Y

Y

A

Q

A

K

V

E

K

R

D

V

D

S

P

Q

V

D

F

F

R

L

A

D

E

D

L

L

L

D

N

R

D

L

Y

Q

Q

A

N

N

Y

Y

I

A

G

G

R

R

P

P

T

S

P

P

L

L

Y

Y

H

E

A

A

K

T

R

R

W

L

S

S

E

Q

H

H

L

A

G

G

G

S

A

A

Q

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

T

V

I

L

G

G

Q

Q

A

A

L

L

L

L

A

A

K

R

R

R

L

M

G

G

K

K

T

T

R

R

I

V

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

T

V

A

A

C

A

A

R

L

L

L

G

G

L

L

E

D

C

C

V

V

V

I

Y

Y

M

M

G

G

A

G

D

I

D

D

V

T

V

A

R

R

Q

Q

A

A

P

L

N

N

V

V

A

A

R

R

M

M

K

R

M

L

L

L

G

G

A

A

T

E

V

V

V

V

P

A

V

V

E

Q

S

T

G

G

T

S

R

K

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M
x
F

R

R

D

D

W
|
W

V

V

T

A

N

N

V

A

D

D

D

N

T

T

F

Y

Y
|
Y

I

C

I
x
F

G

G

T
|
T

V

A

A

A

G
|
G

P
|
P

H

H

P

P

Y

F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

A

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

Q

V

Q

Q

M

I

L

Q

D

G

Q

Q

E

A

G

G

V

R

L

L

P

P

D

D

I

A

V

V

M

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

M

I

G

G

L

I

F

F

H

H

A

A

F

F

L

L

P

D

D

D

E

P

S

G

V

V

R

R

I

L

I

V

G

G

V

F

E

E

A

A

G

A

G

G

D

D

G

G

L

V

E

E

T

T

G

G

R

R

H

H

A

A

A

A

P

T

L

F

C

T

K

A

G

G

T

S

P

P

G

G

V

A

L

F

H
|
H

G
|
G

N

S

R

F

T

S

Y

Y

L

L

M

L

Q

Q

D

D

E

E

A

D

G

G

Q

Q

I

T

M

I

G

E

T

S

H

H

S

S

I

I

S

S

A

A

G
|
G

L

L

D

D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

W

L

L

K

K

D

E

I

A

G

G

R

R

A

V

E

D

F

Y

F

R

A

P

V

I

T

T

D

D

D

S

E

E

A

A

M

M

A

D

G

A

W

F

R

G

D

L

V

L

T

C

R

R

M

M

E

E

G

G

I

I

I

I

S

P

A

A

L

I

E
|
E

T

S

S

A

H

H

A

A

L

V

A

A

Y

G

A

A

I

L

K

K

L

L

A

G

P

V

T

E

L

L

P

G

K

R

T

G

Q

A

R

V

I

I

I

V

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

V

N

E

T

T

I

A

A

A

K

K

V

W

E

F

G

G

F

L

active site: K98 (= K100), E120 (= E122), S387 (= S389)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H97 (= H99), K98 (= K100), T121 (= T123), G122 (= G124), A123 (= A125), Q125 (= Q127), H126 (= H128), T201 (= T203), G243 (= G245), G245 (= G247), S246 (= S248), N247 (= N249), G314 (= G316), E361 (= E363), S387 (= S389)
binding 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide: Y26 (≠ F28), F185 (≠ M187), W188 (= W190), Y197 (= Y199), F199 (≠ I201), G204 (= G206), P205 (= P207), H291 (= H293), G292 (= G294)

6usaB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk1-bound form (see paper)
60% identity, 97% coverage: 12:405/407 of query aligns to 6:402/404 of 6usaB

query
sites
6usaB

S

S

Q

H

Y

D

P

P

D

D

S

S

Q

G

G

G

H

H

F

F

G

G

P

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F

Y

A

V

P

P

E

E

T

A

L

L

M

M

A

A

P

V

L

I

E

E

A

E

L

V

R

T

D

A

Q

A

Y

Y

A

Q

A

K

V

E

K

R

D

V

D

S

P

Q

V

D

F

F

R

L

A

D

E

D

L

L

L

D

N

R

D

L

Y

Q

Q

A

N

N

Y

Y

I

A

G

G

R

R

P

P

T

S

P

P

L

L

Y

Y

H

E

A

A

K

T

R

R

W

L

S

S

E

Q

H

H

L

A

G

G

G

S

A

A

Q

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

T

V

I

L

G

G

Q

Q

A

A

L

L

L

L

A

A

K

R

R

R

L

M

G

G

K

K

T

T

R

R

I

V

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G
|
G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

T

V

A

A

C

A

A

R

L

L

L

G

G

L

L

E

D

C

C

V

V

V

I

Y

Y

M

M

G

G

A

G

D

I

D

D

V

T

V

A

R

R

Q

Q

A

A

P

L

N

N

V

V

A

A

R

R

M

M

K

R

M

L

L

L

G

G

A

A

T

E

V

V

V

V

P

A

V

V

E

Q

S

T

G

G

T

S

R

K

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M
x
F

R

R

D

D

W
|
W

V

V

T

A

N

N

V

A

D

D

D

N

T

T

F

Y

Y
|
Y

I

C

I
x
F

G

G

T
|
T

V

A

A

A

G
|
G

P
|
P

H

H

P

P

Y
x
F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

A

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

Q

V

Q

Q

M

I

L

Q

D

G

Q

Q

E

A

G

G

V

R

L

L

P

P

D

D

I

A

V

V

M

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

M

I

G

G

L

I

F

F

H

H

A

A

F

F

L

L

P

D

D

D

E

P

S

G

V

V

R

R

I

L

I

V

G

G

V

F

E

E

A

A

G

A

G

G

D

D

G

G

L

V

E

E

T

T

G

G

R

R

H

H

A

A

A

A

P

T

L

F

C

T

K

A

G

G

T

S

P

P

G

G

V

A

L

F

H
|
H

G
|
G

N

S

R

F

T

S

Y

Y

L

L

M

L

Q

Q

D

D

E

E

A

D

G

G

Q

Q

I

T

M

I

G

E

T

S

H

H

S

S

I

I

S

S

A

A

G
|
G

L

L

D

D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

W

L

L

K

K

D

E

I

A

G

G

R

R

A

V

E

D

F

Y

F

R

A

P

V

I

T

T

D

D

D

S

E

E

A

A

M

M

A

D

G

A

W

F

R

G

D

L

V

L

T

C

R

R

M

M

E

E

G

G

I

I

I

I

S

P

A

A

L

I

E
|
E

T

S

S

A

H

H

A

A

L

V

A

A

Y

G

A

A

I

L

K

K

L

L

A

G

P

V

T

E

L

L

P

G

K

R

T

G

Q

A

R

V

I

I

I

V

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

V

N

E

T

T

I

A

A

A

K

K

V

W

E

F

G

G

F

L

active site: K97 (= K100), E119 (= E122), S386 (= S389)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H96 (= H99), K97 (= K100), T120 (= T123), G121 (= G124), A122 (= A125), G123 (= G126), Q124 (= Q127), H125 (= H128), T200 (= T203), G242 (= G245), G244 (= G247), S245 (= S248), N246 (= N249), G313 (= G316), E360 (= E363), S386 (= S389)
binding (3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol: F184 (≠ M187), W187 (= W190), Y196 (= Y199), F198 (≠ I201), G203 (= G206), P204 (= P207), F207 (≠ Y210), H290 (= H293), G291 (= G294)

6dweB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and brd0059-bound form
60% identity, 97% coverage: 12:405/407 of query aligns to 6:402/404 of 6dweB

query
sites
6dweB

S

S

Q

H

Y

D

P

P

D

D

S

S

Q

G

G

G

H

H

F

F

G

G

P

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F

Y

A

V

P

P

E

E

T

A

L

L

M

M

A

A

P

V

L

I

E

E

A

E

L

V

R

T

D

A

Q

A

Y

Y

A

Q

A

K

V

E

K

R

D

V

D

S

P

Q

V

D

F

F

R

L

A

D

E

D

L

L

L

D

N

R

D

L

Y

Q

Q

A

N

N

Y

Y

I

A

G

G

R

R

P

P

T

S

P

P

L

L

Y

Y

H

E

A

A

K

T

R

R

W

L

S

S

E

Q

H

H

L

A

G

G

G

S

A

A

Q

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

T

V

I

L

G

G

Q

Q

A

A

L

L

L

L

A

A

K

R

R

R

L

M

G

G

K

K

T

T

R

R

I

V

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G
|
G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

T

V

A

A

C

A

A

R

L

L

L

G

G

L

L

E

D

C

C

V

V

V

I

Y

Y

M

M

G

G

A

G

D

I

D

D

V

T

V

A

R

R

Q

Q

A

A

P

L

N

N

V

V

A

A

R

R

M

M

K

R

M

L

L

L

G

G

A

A

T

E

V

V

V

V

P

A

V

V

E

Q

S

T

G

G

T

S

R

K

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M
x
F

R

R

D

D

W

W

V

V

T

A

N

N

V

A

D

D

D

N

T

T

F

Y

Y
|
Y

I

C

I
x
F

G

G

T
|
T

V

A

A

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

A

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

Q

V

Q

Q

M

I

L

Q

D

G

Q

Q

E

A

G

G

V

R

L

L

P

P

D

D

I

A

V

V

M

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

M

I

G

G

L

I

F

F

H

H

A

A

F

F

L

L

P

D

D

D

E

P

S

G

V

V

R

R

I

L

I

V

G

G

V

F

E

E

A

A

G

A

G

G

D

D

G

G

L

V

E

E

T

T

G

G

R

R

H

H

A

A

A

A

P

T

L

F

C

T

K

A

G

G

T

S

P

P

G

G

V

A

L

F

H
|
H

G

G

N

S

R

F

T

S

Y

Y

L

L

M

L

Q

Q

D

D

E

E

A

D

G

G

Q

Q

I

T

M

I

G

E

T

S

H

H

S

S

I

I

S

S

A

A

G
|
G

L

L

D

D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

W

L

L

K

K

D

E

I

A

G

G

R

R

A

V

E

D

F

Y

F

R

A

P

V

I

T

T

D

D

D

S

E

E

A

A

M

M

A

D

G

A

W

F

R

G

D

L

V

L

T

C

R

R

M

M

E

E

G

G

I

I

I

I

S

P

A

A

L

I

E
|
E

T

S

S

A

H

H

A

A

L

V

A

A

Y

G

A

A

I

L

K

K

L

L

A

G

P

V

T

E

L

L

P

G

K

R

T

G

Q

A

R

V

I

I

I

V

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

V

N

E

T

T

I

A

A

A

K

K

V

W

E

F

G

G

F

L

active site: K97 (= K100), E119 (= E122), S386 (= S389)
binding (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: F184 (≠ M187), Y196 (= Y199), F198 (≠ I201), P204 (= P207), F207 (≠ Y210), H290 (= H293)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H96 (= H99), K97 (= K100), T120 (= T123), G121 (= G124), A122 (= A125), G123 (= G126), Q124 (= Q127), H125 (= H128), T200 (= T203), G242 (= G245), G244 (= G247), S245 (= S248), N246 (= N249), G313 (= G316), E360 (= E363), S386 (= S389)

5tciH Crystal structure of tryptophan synthase from m. Tuberculosis - brd4592-bound form (see paper)
60% identity, 97% coverage: 12:405/407 of query aligns to 7:403/406 of 5tciH

query
sites
5tciH

S

S

Q

H

Y

D

P

P

D

D

S

S

Q

G

G

G

H

H

F

F

G

G

P

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F

Y

A

V

P
|
P

E

E

T

A

L
|
L

M

M

A

A

P

V

L

I

E

E

A

E

L

V

R

T

D

A

Q

A

Y

Y

A

Q

A

K

V

E

K

R

D

V

D

S

P

Q

V

D

F

F

R

L

A

D

E

D

L

L

L

D

N

R

D

L

Y

Q

Q

A

N

N

Y

Y

I

A

G

G

R

R

P

P

T

S

P

P

L

L

Y

Y

H

E

A

A

K

T

R

R

W

L

S

S

E

Q

H

H

L

A

G

G

G

S

A

A

Q

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H

H

K
|
K

I

I

N

N

N

N

T

V

I

L

G

G

Q

Q

A

A

L

L

L

L

A

A

K

R

R

R

L

M

G

G

K

K

T

T

R

R

I

V

I

I

A

A

E
|
E

T

T

G

G

A

A

G

G

Q

Q

H

H

G

G

V

V

A

A

S

T

A

A

T

T

V

A

A

C

A

A

R

L

L

L

G

G

L

L

E

D

C

C

V

V

V

I

Y

Y

M

M

G

G

A

G

D

I

D

D

V

T

V

A

R

R

Q

Q

A

A

P

L

N

N

V

V

A

A

R

R

M

M

K

R

M

L

L

L

G

G

A

A

T

E

V

V

V

V

P

A

V

V

E

Q

S

T

G

G

T

S

R

K

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

F

R

R

D

D

W

W

V

V

T

A

N

N

V

A

D

D

D

N

T

T

F

Y

Y
|
Y

I

C

I
x
F

G

G

T

T

V

A

A

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

A

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

Q

V

Q

Q

M

I

L

Q

D

G

Q

Q

E

A

G

G

V

R

L

L

P

P

D

D

I

A

V

V

M

V

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

M

I

G

G

L

I

F

F

H

H

A

A

F

F

L

L

P

D

D

D

E

P

S

G

V

V

R

R

I

L

I

V

G

G

V

F

E

E

A

A

G

A

G

G

D

D

G

G

L

V

E

E

T

T

G

G

R

R

H

H

A

A

A

A

P

T

L

F

C

T

K

A

G

G

T

S

P

P

G

G

V

A

L

F

H
|
H

G

G

N

S

R

F

T

S

Y

Y

L

L

M

L

Q

Q

D

D

E

E

A

D

G

G

Q

Q

I

T

M

I

G

E

T

S

H

H

S

S

I

I

S

S

A

A

G

G

L

L

D

D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

W

L

L

K

K

D

E

I

A

G

G

R

R

A

V

E

D

F

Y

F

R

A

P

V

I

T

T

D

D

D

S

E

E

A

A

M

M

A

D

G

A

W

F

R

G

D

L

V

L

T

C

R

R

M

M

E

E

G

G

I

I

I

I

S

P

A

A

L

I

E

E

T

S

S

A

H

H

A

A

L

V

A

A

Y

G

A

A

I

L

K

K

L

L

A

G

P

V

T

E

L

L

P

G

K

R

T

G

Q

A

R

V

I

I

I

V

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

V

N

E

T

T

I

A

A

A

K

K

V

W

E

F

G

G

F

L

active site: K98 (= K100), E120 (= E122), S387 (= S389)
binding (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile: P28 (= P30), L31 (= L33), Y197 (= Y199), F199 (≠ I201), P205 (= P207), F208 (≠ Y210), H291 (= H293)

6uapB Crystal structure of tryptophan synthase from m. Tuberculosis - open form with brd6309 bound
60% identity, 97% coverage: 12:405/407 of query aligns to 6:402/405 of 6uapB

query
sites
6uapB

S

S

Q

H

Y

D

P

P

D

D

S

S

Q

G

G

G

H

H

F

F

G

G

P

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F

Y

A

V

P

P

E

E

T

A

L

L

M

M

A

A

P

V

L

I

E

E

A

E

L

V

R

T

D

A

Q

A

Y

Y

A

Q

A

K

V

E

K

R

D

V

D

S

P

Q

V

D

F

F

R

L

A

D

E

D

L

L

L

D

N

R

D

L

Y

Q

Q

A

N

N

Y

Y

I

A

G

G

R

R

P

P

T

S

P

P

L

L

Y

Y

H

E

A

A

K

T

R

R

W

L

S

S

E

Q

H

H

L

A

G

G

G

S

A

A

Q

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H

H

K
|
K

I

I

N

N

N

N

T

V

I

L

G

G

Q

Q

A

A

L

L

L

L

A

A

K

R

R

R

L

M

G

G

K

K

T

T

R

R

I

V

I

I

A

A

E
|
E

T

T

G

G

A

A

G

G

Q

Q

H

H

G

G

V

V

A

A

S

T

A

A

T

T

V

A

A

C

A

A

R

L

L

L

G

G

L

L

E

D

C

C

V

V

V

I

Y

Y

M

M

G

G

A

G

D

I

D

D

V

T

V

A

R

R

Q

Q

A

A

P

L

N

N

V

V

A

A

R

R

M

M

K

R

M

L

L

L

G

G

A

A

T

E

V

V

V

V

P

A

V

V

E

Q

S

T

G

G

T

S

R

K

T

T

L

L

K

K

D

D

A

A

L
x
I

N
|
N

E

E

A

A

M
x
F

R

R

D

D

W

W

V

V

T

A

N

N

V

A

D

D

D

N

T

T

F

Y

Y
|
Y

I

C

I
x
F

G

G

T

T

V

A

A

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

A

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

Q

V

Q

Q

M

I

L

Q

D

G

Q

Q

E

A

G

G

V

R

L

L

P

P

D

D

I

A

V

V

M

V

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

M

I

G

G

L

I

F

F

H

H

A

A

F

F

L

L

P

D

D

D

E

P

S

G

V

V

R

R

I

L

I

V

G

G

V

F

E

E

A

A

G

A

G

G

D

D

G

G

L

V

E

E

T

T

G

G

R

R

H

H

A

A

A

A

P

T

L

F

C

T

K

A

G

G

T

S

P

P

G

G

V

A

L

F

H
|
H

G

G

N

S

R

F

T

S

Y

Y

L

L

M

L

Q

Q

D

D

E

E

A

D

G

G

Q

Q

I

T

M

I

G

E

T

S

H

H

S

S

I

I

S

S

A

A

G

G

L

L

D

D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

W

L

L

K

K

D

E

I

A

G

G

R

R

A

V

E

D

F

Y

F

R

A

P

V

I

T

T

D

D

D

S

E

E

A

A

M

M

A

D

G

A

W

F

R

G

D

L

V

L

T

C

R

R

M

M

E

E

G

G

I

I

I

I

S

P

A

A

L

I

E

E

T

S

S

A

H

H

A

A

L

V

A

A

Y

G

A

A

I

L

K

K

L

L

A

G

P

V

T

E

L

L

P

G

K

R

T

G

Q

A

R

V

I

I

I

V

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

V

N

E

T

T

I

A

A

A

K

K

V

W

E

F

G

G

F

L

active site: K97 (= K100), E119 (= E122), S386 (= S389)
binding (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: I180 (≠ L183), N181 (= N184), F184 (≠ M187), Y196 (= Y199), F198 (≠ I201), P204 (= P207), F207 (≠ Y210), H290 (= H293)

6am8B Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9 with trp bound as e(aex2) (see paper)
60% identity, 94% coverage: 21:401/407 of query aligns to 3:383/385 of 6am8B

query
sites
6am8B

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P
|
P

E

E

T

T

L

L

M

V

A

G

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

V

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

L

L

L

A

A

K

K

R

L

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

V

V

I

P

P

V

V

E

N

S

S

G

G

T

S

R

R

T

T

L
|
L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M
x
L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

V

V

A
x
V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

A

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

Q

A

Q

Q

M

I

L

L

D

E

Q

A

E

E

G

G

V

Q

L

L

P

P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G
|
G

G
|
G

G
|
G

S
|
S

N
|
N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

K

S

K

V

V

R

K

I

L

I

V

G

G

V

V

E

E

A

A

G

G

G

G

D

K

G

G

L

L

E

E

T

S

G

G

R

K

H

H

A

S

A

A

P

S

L

L

C

N

K

A

G

G

T

Q

P

V

G

G

V

V

L
x
S

H
|
H

G

G

N

M

R

L

T

S

Y

Y

L

F

M

L

Q

Q

D

D

E

E

A

E

G

G

Q

Q

I

I

M

K

G

P

T

S

H

H

S

S

I

I

S

A

A

P

G
|
G

L

L

D

D

Y
|
Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

L

K

K

D

K

I

I

G

Q

R

R

A

A

E

E

F

Y

F

V

A

A

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

K

G

A

W

F

R

H

D

E

V

L

T

S

R

R

M

T

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E
|
E

T

S

S

A

H

H

A

A

L

V

A

A

Y

Y

A

A

I

M

K

K

L

L

A

A

P

K

T

E

L

M

P

S

K

R

T

D

Q

E

R

I

I

I

I

I

I

V

N

N

L

L

S
|
S

G
|
G

R

R

G

G

D

D

K

K

D

D

M

L

N

D

T

I

I

V

A

L

K

K

active site: K82 (= K100), E104 (= E122), S371 (= S389)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane: H81 (= H99), K82 (= K100), E104 (= E122), T105 (= T123), G106 (= G124), A107 (= A125), Q109 (= Q127), H110 (= H128), L161 (= L179), S185 (≠ T203), V187 (≠ A205), G227 (= G245), G228 (= G246), G229 (= G247), S230 (= S248), N231 (= N249), G298 (= G316), Y301 (= Y319), E345 (= E363), S371 (= S389), G372 (= G390)
binding tryptophan: P12 (= P30), L169 (≠ M187), S274 (≠ L292), H275 (= H293)

5dw3A Tryptophan synthase beta-subunit from pyrococcus furiosus with product l-tryptophan non-covalently bound in the active site (see paper)
60% identity, 94% coverage: 21:402/407 of query aligns to 3:383/383 of 5dw3A

query
sites
5dw3A

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

I

A

E

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

L

L

L

A

A

K

K

R

F

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

V

V

I

P

P

V

V

E

N

S

S

G

G

T

S

R

R

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

A

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

Q

A

Q

Q

M

I

L

L

D

E

Q

A

E

E

G

G

V

Q

L

L

P

P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G

G

G
|
G

G

G

S

S

N

N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

K

S

K

V

V

R

K

I

L

I

V

G

G

V

V

E

E

A

A

G

G

G

G

D

K

G

G

L

L

E

E

T

S

G

G

R

K

H

H

A

S

A

A

P

S

L

L

C

N

K

A

G

G

T

Q

P

V

G

G

V

V

L

F

H

H

G

G

N

M

R

L

T

S

Y

Y

L

F

M

L

Q

Q

D

D

E

E

A

-

G

G

Q

Q

I

I

M

K

G

P

T

T

H

H

S

S

I

I

S

A

A

P

G

G

L

L

D

D

Y
|
Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

L

K

K

D

K

I

I

G

Q

R

R

A

A

E

E

F

Y

F

V

A

T

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

K

G

A

W

F

R

H

D

E

V

L

T

S

R

R

M

T

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E

E

T

S

S

A

H

H

A

A

L

V

A

A

Y

Y

A

A

I

M

K

K

L

L

A

A

P

K

T

E

L

M

P

S

K

R

T

D

Q

E

R

I

I

I

I

I

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

L

N

D

T

I

I

V

A

L

K

K

V

V

active site: K82 (= K100), E104 (= E122), S370 (= S389)
binding tryptophan: K82 (= K100), E104 (= E122), T105 (= T123), G106 (= G124), A107 (= A125), Q109 (= Q127), H110 (= H128), S185 (≠ T203), G228 (= G246), Y300 (= Y319)

5ixjD Tryptophan synthase beta-subunit from pyrococcus furiosus with l- threonine non-covalently bound in the active site (see paper)
60% identity, 94% coverage: 21:404/407 of query aligns to 3:384/394 of 5ixjD

query
sites
5ixjD

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

I

A

E

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

L

L

L

A

A

K

K

R

F

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A

A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

V

V

I

P

P

V

V

E

N

S

S

G

G

T

S

R

R

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T

S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

A

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

Q

A

Q

Q

M

I

L

L

D

E

Q

A

E

E

G

G

V

Q

L

L

P

P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

K

S

K

V

V

R

K

I

L

I

V

G

G

V

V

E

E

A

A

G

G

G

G

D

K

G

G

L

L

E

E

T

S

G

G

R

K

H

H

A

S

A

A

P

S

L

L

C

N

K

A

G

G

T

Q

P

V

G

G

V

V

L

F

H

H

G

G

N

M

R

L

T

S

Y

Y

L

F

M

L

Q

Q

D

D

E

-

A

-

G

G

Q

Q

I

I

M

K

G

P

T

T

H

H

S

S

I

I

S

A

A

P

G

G

L

L

D
|
D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

L

K

K

D

K

I

I

G

Q

R

R

A

A

E

E

F

Y

F

V

A

T

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

K

G

A

W

F

R

H

D

E

V

L

T

S

R

R

M

T

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E

E

T

S

S

A

H

H

A

A

L

V

A

A

Y

Y

A

A

I

M

K

K

L

L

A

A

P

K

T

E

L

M

P

S

K

R

T

D

Q

E

R

I

I

I

I

I

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

L

N

D

T

I

I

V

A

L

K

K

V

V

E

S

G

G

active site: K82 (= K100), E104 (= E122), S369 (= S389)
binding threonine: T105 (= T123), G106 (= G124), Q109 (= Q127), H110 (= H128), D298 (= D318)

7rnpA Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9_h275e with 4-cl-trp non-covalently bound (see paper)
60% identity, 94% coverage: 21:401/407 of query aligns to 3:383/384 of 7rnpA

query
sites
7rnpA

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

V

A

G

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

V

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

L

L

L

A

A

K

K

R

L

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G

G

A

A

G

G

Q

Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

V

V

I

P

P

V

V

E

N

S

S

G

G

T

S

R

R

T

T

L
|
L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

V

V

A
x
V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

A

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

Q

A

Q

Q

M

I

L

L

D

E

Q

A

E

E

G

G

V

Q

L

L

P

P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G

G

G
|
G

G

G

S

S

N

N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

K

S

K

V

V

R

K

I

L

I

V

G

G

V

V

E

E

A

A

G

G

G

G

D

K

G

G

L

L

E

E

T

S

G

G

R

K

H

H

A

S

A

A

P

S

L

L

C

N

K

A

G

G

T

Q

P

V

G

G

V

V

L

S

H

E

G

G

N

M

R

L

T

S

Y

Y

L

F

M

L

Q

Q

D

D

E

E

A

E

G

G

Q

Q

I

I

M

K

G

P

T

S

H

H

S

S

I

I

S

A

A

P

G

G

L

L

D

D

Y
|
Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

L

K

K

D

K

I

I

G

Q

R

R

A

A

E

E

F

Y

F

V

A

A

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

K

G

A

W

F

R

H

D

E

V

L

T

S

R

R

M

T

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E

E

T

S

S

A

H

H

A

A

L

V

A

A

Y

Y

A

A

I

M

K

K

L

L

A

A

P

K

T

E

L

M

P

S

K

R

T

D

Q

E

R

I

I

I

I

I

I

V

N

N

L

L

S

S

G

G

R

R

G

G

D

D

K

K

D

D

M

L

N

D

T

I

I

V

A

L

K

K

binding 4-chloro-L-tryptophan: K82 (= K100), E104 (= E122), T105 (= T123), H110 (= H128), L161 (= L179), S185 (≠ T203), V187 (≠ A205), G228 (= G246), Y301 (= Y319)

5t6mA Structure of the tryptophan synthase b-subunit from pyroccus furiosus with b-methyltryptophan non-covalently bound (see paper)
60% identity, 94% coverage: 21:402/407 of query aligns to 3:382/383 of 5t6mA

query
sites
5t6mA

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

I

A

E

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

L

L

L

A

A

K

K

R

F

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

V

V

I

P

P

V

V

E

N

S

S

G

G

T

S

R

R

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T

S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

A

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

Q

A

Q

Q

M

I

L

L

D

E

Q

A

E

E

G

G

V

Q

L

L

P

P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

K

S

K

V

V

R

K

I

L

I

V

G

G

V

V

E

E

A

A

G

G

G

G

D

K

G

G

L

L

E

E

T

S

G

G

R

K

H

H

A

S

A

A

P

S

L

L

C

N

K

A

G

G

T

Q

P

V

G

G

V

V

L

F

H

H

G

G

N

M

R

L

T

S

Y

Y

L

F

M

L

Q

Q

D

D

E

-

A

-

G

G

Q

Q

I

I

M

K

G

P

T

T

H

H

S

S

I

I

S

A

A

P

G

G

L

L

D

D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

L

K

K

D

K

I

I

G

Q

R

R

A

A

E

E

F

Y

F

V

A

T

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

K

G

A

W

F

R

H

D

E

V

L

T

S

R

R

M

T

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E

E

T

S

S

A

H

H

A

A

L

V

A

A

Y

Y

A

A

I

M

K

K

L

L

A

A

P

K

T

E

L

M

P

S

K

R

T

D

Q

E

R

I

I

I

I

I

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

L

N

D

T

I

I

V

A

L

K

K

V

V

active site: K82 (= K100), E104 (= E122), S369 (= S389)
binding phosphate ion: K82 (= K100), T105 (= T123), G106 (= G124), A107 (= A125), Q109 (= Q127), H110 (= H128)

6cutA Engineered holo trpb from pyrococcus furiosus, pftrpb7e6 with (2s,3s)- isopropylserine bound as the external aldimine (see paper)
59% identity, 94% coverage: 21:401/407 of query aligns to 3:383/385 of 6cutA

query
sites
6cutA

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

V

A

G

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

P

L

L

A

A

K

K

R

L

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E

E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

V

V

I

P

P

V

V

E

N

S

S

G

G

T

S

R

R

T

T

L

A

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

E

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

A

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

Q

A

Q

Q

M

I

L

L

D

E

Q

A

E

E

G

G

V

Q

L

L

P

P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

K

S

K

V

V

R

K

I

L

I

V

G

G

V

V

E

E

A

A

G

G

G

G

D

K

G

G

L

L

E

E

T

S

G

G

R

K

H

H

A

S

A

A

P

S

L

L

C

N

K

A

G

G

T

Q

P

V

G

G

V

V

L

L

H

H

G

G

N

M

R

L

T

S

Y

Y

L

F

M

L

Q

Q

D

D

E

E

A

E

G

G

Q

Q

I

I

M

K

G

P

T

S

H

H

S

S

I

I

S

A

A

P

G
|
G

L

L

D

D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

L

K

K

D

K

I

I

G

Q

R

R

A

A

E

E

F

Y

F

V

A

T

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

K

G

A

W

F

R

H

D

E

V

L

T

S

R

R

M

T

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E
|
E

T

S

S

A

H

H

A

A

L

V

A

A

Y

Y

A

A

I

M

K

K

L

L

A

A

P

K

T

E

L

M

P

S

K

R

T

D

Q

E

R

I

I

I

I

I

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

L

N

D

T

I

I

V

A

L

K

K

binding (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name): H81 (= H99), K82 (= K100), T105 (= T123), G106 (= G124), A107 (= A125), Q109 (= Q127), H110 (= H128), S185 (≠ T203), G227 (= G245), G229 (= G247), S230 (= S248), N231 (= N249), G298 (= G316), E345 (= E363), S371 (= S389)

5vm5D Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9, with ser bound (see paper)
60% identity, 94% coverage: 21:401/407 of query aligns to 3:381/383 of 5vm5D

query
sites
5vm5D

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

V

A

G

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

V

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

L

L

L

A

A

K

K

R

L

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

V

V

I

P

P

V

V

E

N

S

S

G

G

T

S

R

R

T

T

L

L

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

A

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

Q

A

Q

Q

M

I

L

L

D

E

Q

A

E

E

G

G

V

Q

L

L

P

P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

K

S

K

V

V

R

K

I

L

I

V

G

G

V

V

E

E

A

A

G

G

G

G

D

K

G

G

L

L

E

E

T

S

G

G

R

K

H

H

A

S

A

A

P

S

L

L

C

N

K

A

G

G

T

Q

P

V

G

G

V

V

L

S

H

H

G

G

N

M

R

L

T

S

Y

Y

L

F

M

L

Q

Q

D

D

E

-

A

-

G

G

Q

Q

I

I

M

K

G

P

T

S

H

H

S

S

I

I

S

A

A

P

G
|
G

L

L

D

D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

L

K

K

D

K

I

I

G

Q

R

R

A

A

E

E

F

Y

F

V

A

A

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

K

G

A

W

F

R

H

D

E

V

L

T

S

R

R

M

T

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E
|
E

T

S

S

A

H

H

A

A

L

V

A

A

Y

Y

A

A

I

M

K

K

L

L

A

A

P

K

T

E

L

M

P

S

K

R

T

D

Q

E

R

I

I

I

I

I

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

L

N

D

T

I

I

V

A

L

K

K

active site: K82 (= K100), E104 (= E122), S369 (= S389)
binding 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid: H81 (= H99), K82 (= K100), T105 (= T123), G106 (= G124), A107 (= A125), Q109 (= Q127), H110 (= H128), S185 (≠ T203), G227 (= G245), G229 (= G247), S230 (= S248), N231 (= N249), G296 (= G316), E343 (= E363), S369 (= S389)

6cuzA Engineered trpb from pyrococcus furiosus, pftrpb7e6 with (2s,3r)- ethylserine bound as the amino-acrylate (see paper)
59% identity, 94% coverage: 21:401/407 of query aligns to 3:383/383 of 6cuzA

query
sites
6cuzA

F

F

G

G

P

E

Y

F

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

T

L

L

M

V

A

G

P

P

L

L

E

K

A

E

L

L

R

E

D

K

Q

A

Y

Y

A

K

A

R

V

F

K

K

D

D

D

D

P

E

V

E

F

F

R

N

A

R

E

Q

L

L

L

N

N

Y

D

Y

Y

L

Q

K

N

T

Y

W

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

Y

A

A

K

K

R

R

W

L

S

T

E

E

H

K

L

I

G

G

G

G

A

A

Q

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

I

I

G

G

Q

Q

A

A

L

P

L

L

A

A

K

K

R

L

L

M

G

G

K

K

T

T

R

R

I

L

I

I

A

A

E

E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

M

V

A

A

G

A

A

R

L

L

L

G

G

L

M

E

K

C

V

V

D

V

I

Y

Y

M

M

G

G

A

A

D

E

D

D

V

V

V

E

R

R

Q

Q

A

K

P

M

N

N

V

V

A

F

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

N

V

V

V

I

P

P

V

V

E

N

S

S

G

G

T

S

R

R

T

T

L

A

K

K

D

D

A

A

L

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

E

T

A

N

T

V

F

D

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

A

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

Q

A

Q

Q

M

I

L

L

D

E

Q

A

E

E

G

G

V

Q

L

L

P

P

D

D

I

V

V

I

M

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

M

M

G

G

L

I

F

F

H

Y

A

P

F

F

L

V

P

N

D

D

E

K

S

K

V

V

R

K

I

L

I

V

G

G

V

V

E

E

A

A

G

G

G

G

D

K

G

G

L

L

E

E

T

S

G

G

R

K

H

H

A

S

A

A

P

S

L

L

C

N

K

A

G

G

T

Q

P

V

G

G

V

V

L

L

H

H

G

G

N

M

R

L

T

S

Y

Y

L

F

M

L

Q

Q

D

D

E

E

A

E

G

G

Q

Q

I

I

M

K

G

P

T

S

H

H

S

S

I

I

S

A

A

P

G
|
G

L

L

D

D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

L

K

K

D

K

I

I

G

Q

R

R

A

A

E

E

F

Y

F

V

A

T

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

K

G

A

W

F

R

H

D

E

V

L

T

S

R

R

M

T

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E
|
E

T

S

S

A

H

H

A

A

L

V

A

A

Y

Y

A

A

I

M

K

K

L

L

A

A

P

K

T

E

L

M

P

S

K

R

T

D

Q

E

R

I

I

I

I

I

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

L

N

D

T

I

I

V

A

L

K

K

binding (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid: H81 (= H99), K82 (= K100), T105 (= T123), G106 (= G124), A107 (= A125), Q109 (= Q127), H110 (= H128), S185 (≠ T203), G227 (= G245), G229 (= G247), S230 (= S248), N231 (= N249), G298 (= G316), E345 (= E363), S371 (= S389)

8vhhA Engineered holo tryptophan synthase (tm9d8 ) Derived from t. Maritima trpb (see paper)
58% identity, 94% coverage: 18:399/407 of query aligns to 1:377/389 of 8vhhA

query
sites
8vhhA

Q

K

G

G

H

Y

F

F

G

G

P

P

Y

Y

G

G

G

G

I

Q

F

Y

A

V

P

P

E

E

T

I

L

L

M

M

A

G

P

A

L

L

E

E

A

E

L

L

R

E

D

A

Q

A

Y

Y

A

E

A

G

V

I

K

M

D

K

D

D

P

E

V

S

F

F

R

W

A

K

E

E

L

F

L

N

N

D

D

L

Y

L

Q

R

N

D

Y

Y

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

F

A

A

K

R

R

R

W

L

S

S

E

E

H

K

L

Y

G

G

G

-

A

A

Q

R

I

V

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

L

H

H

T

T

G

G

A

A

H
|
H

K
|
K

I

I

N

N

N

N

T

A

I

I

G

G

Q

Q

A

V

L

L

L

L

A

A

K

K

R

L

L

M

G

G

K

K

T

T

R

R

I

I

I

I

A

A

E

E

T

T

G

G

A

A

G

G

Q
|
Q

H

H

G

G

V

V

A

A

S

T

A

A

T

T

V

A

A

A

A

A

R

L

L

F

G

G

L

M

E

E

C

C

V

V

V

I

Y

Y

M

M

G

G

A

E

D

E

D

D

V

T

V

I

R

R

Q

Q

A

K

P

L

N

N

V

V

A

E

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

K

V

V

V

V

P

P

V

V

E

K

S

S

G

G

T

S

R

R

T

T

L

L

K

K

D

D

A

A

L

I

N

D

E

E

A

A

M

L

R

R

D

D

W

W

V

I

T

T

N

N

V

L

D

Q

D

T

T

T

F

Y

Y

Y

I

V

I

F

G

G

T
x
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

I

M

I

V

V

R

R

D

N

F

F

Q

Q

A

K

I

V

I

I

G

G

Q

E

E

E

A

T

R

K

Q

K

Q

Q

M

I

L

P

D

E

Q

K

E

E

G

G

V

R

L

L

P

P

D

D

I

Y

V

I

M

V

A

A

C

C

V

V

G

S

G
|
G

G
|
G

S
|
S

N
|
N

A

A

M

A

G

G

L

I

F

F

H

Y

A

P

F

F

L

I

P

-

D

D

E

S

S

G

V

V

R

K

I

L

I

I

G

G

V

V

E

E

A

A

G

G

G

G

D

E

G

G

L

L

E

E

T

T

G

G

R

K

H

H

A

A

A

A

P

S

L

L

C

L

K

K

G

G

T

K

P

I

G

G

V

Y

L

L

H

H

G

G

N

S

R

K

T

T

Y

F

L

V

M

L

Q

Q

D

D

E

D

A

W

G

G

Q

Q

I

V

M

Q

G

V

T

S

H

H

S

S

I

V

S

S

A

A

G
|
G

L

L

D

D

Y

Y

P

S

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

W

K

R

D

E

I

T

G

G

R

K

A

V

E

L

F

Y

F

D

A

A

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

D

G

A

W

F

R

I

D

E

V

L

T

S

R

R

M

L

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E
|
E

T

S

S

S

H

H

A

A

L

L

A

A

Y

Y

A

L

I

K

K

K

L

I

A

N

P

-

T

-

L

-

P

I

K

K

T

G

Q

K

R

V

I

V

I

V

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

L

N

E

T

S

I

V

binding pyridoxal-5'-phosphate: H81 (= H99), K82 (= K100), Q109 (= Q127), S185 (≠ T203), G228 (= G246), G229 (= G247), S230 (= S248), N231 (= N249), G297 (= G316), E344 (= E363), S367 (= S389)

8eh1A Engineered tyrosine synthase (tmtyrs1) derived from t. Maritima trpb with ser bound as the amino-acrylate intermediate and complexed with 4-hydroxyquinoline (see paper)
58% identity, 94% coverage: 19:399/407 of query aligns to 1:376/383 of 8eh1A

query
sites
8eh1A

G

G

H

N

F

F

G

G

P

P

Y

Y

G

G

G

G

I

Q

F

N

A

V

P

P

E

E

T

I

L

L

M

M

A

G

P

A

L

L

E

E

A

E

L

L

R

E

D

A

Q

A

Y

Y

A

E

A

G

V

I

K

M

D

K

D

D

P

E

V

S

F

F

R

W

A

K

E

E

L

Y

L

N

N

D

D

L

Y

L

Q

R

N

D

Y

Y

I

A

G

G

R

R

P

P

T

T

P

P

L

L

Y

Y

H

F

A

A

K

R

R

R

W

L

S

S

E

E

H

K

L

Y

G

G

G

-

A

A

Q

R

I

V

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

L

H

H

T

T

G

G

A

A

H
|
H

K
|
K

I

I

N

N

N

N

T

A

I

I

G

G

Q

Q

A

V

L

L

L

L

A

A

K

K

R

L

L

M

G

G

K

K

T

T

R

R

I

I

I

T

A

A

E
x
G

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

S

T

A

A

T

T

V

A

A

A

A

A

R

L

L

F

G

G

L

M

E

E

C

C

V

V

V

I

Y

Y

M

M

G

G

A

E

D

E

D

D

V

T

V

I

R

R

Q

Q

A

K

P

L

N

N

V

V

A

E

R

R

M

M

K

K

M

L

L

L

G

G

A

A

T

K

V

V

V

V

P

P

V

V

E

K

S

S

G

G

T

S

R

R

T

T

L
|
L

K

K

D

D

A

A

L
x
I

N

D

E

E

A

A

M

L

R

R

D

D

W

W

V

I

T

T

N

N

V

L

D

Q

D

T

T

T

F

Y

Y

Y

I

V

I

P

G
|
G

T
x
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

I

M

I

V

V

R

R

D

N

F

F

Q

Q

A

K

I

V

I

I

G

G

Q

E

E

E

A

T

R

K

Q

K

Q

Q

M

I

L

P

D

E

Q

K

E

E

G

G

V

R

L

L

P

P

D

D

I

Y

V

I

M

V

A

A

C

C

V

V

G

S

G

G

G
|
G

S
|
S

N
|
N

A

A

M

A

G

G

L

I

F

F

H

Y

A

P

F

F

L

I

P

-

D

D

E

S

S

G

V

V

R

K

I

L

I

I

G

G

V

V

E

E

A

A

G

G

G

G

D

E

G

G

L

L

E

E

T

T

G

G

R

K

H

H

A

A

A

A

P

S

L

L

C

L

K

K

G

G

T

K

P

I

G

G

V

Y

L

L

H

H

G

G

N

S

R

K

T

T

Y

F

L

V

M

L

Q

Q

D

D

E

D

A

W

G

G

Q

Q

I

V

M

Q

G

A

T

S

H

H

S

S

I

V

S

S

A

A

G
|
G

L

L

D

D

Y
|
Y

P

P

G

G

V

V

G

G

P

P

E

E

L

H

A

A

W

Y

L

W

K

R

D

E

I

T

G

G

R

K

A

V

E

L

F

Y

F

D

A

A

V

V

T

T

D

D

D

E

E

E

A

A

M

L

A

D

G

A

W

F

R

I

D

E

V

L

T

S

R

R

M

L

E

E

G

G

I

I

I

I

S

P

A

A

L

L

E
|
E

T

S

S

S

H

H

A

A

L

L

A

A

Y

Y

A

L

I

K

K

K

L

I

A

N

P

-

T

-

L

-

P

I

K

K

T

G

Q

K

R

V

I

V

I

V

I

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

M

L

N

E

T

S

I

V

binding 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid: H80 (= H99), K81 (= K100), T104 (= T123), G105 (= G124), A106 (= A125), Q108 (= Q127), H109 (= H128), S184 (≠ T203), G228 (= G247), S229 (= S248), N230 (= N249), G296 (= G316), E343 (= E363), S366 (= S389)
binding quinolin-4-ol: G103 (≠ E122), L160 (= L179), I164 (≠ L183), G183 (= G202), S184 (≠ T203), Y299 (= Y319)

Query Sequence

>WP_013835176.1 NCBI__GCF_000214825.1:WP_013835176.1
MSKSSEQQIDFSQYPDSQGHFGPYGGIFAPETLMAPLEALRDQYAAVKDDPVFRAELLND
YQNYIGRPTPLYHAKRWSEHLGGAQIYLKREDLNHTGAHKINNTIGQALLAKRLGKTRII
AETGAGQHGVASATVAARLGLECVVYMGADDVVRQAPNVARMKMLGATVVPVESGTRTLK
DALNEAMRDWVTNVDDTFYIIGTVAGPHPYPMMVRDFQAIIGQEARQQMLDQEGVLPDIV
MACVGGGSNAMGLFHAFLPDESVRIIGVEAGGDGLETGRHAAPLCKGTPGVLHGNRTYLM
QDEAGQIMGTHSISAGLDYPGVGPELAWLKDIGRAEFFAVTDDEAMAGWRDVTRMEGIIS
ALETSHALAYAIKLAPTLPKTQRIIINLSGRGDKDMNTIAKVEGFEF

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