SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_018124638.1 NCBI__GCF_000375485.1:WP_018124638.1 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
65% identity, 94% coverage: 10:392/406 of query aligns to 1:383/383 of 5ey5B

query
sites
5ey5B

G

G

F

R

F

F

G

G

E

K

Y

Y

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

M

P

P

I

A

L

L

N

E

T

E

L

L

A

E

E

E

A

A

F

Y

E

E

K

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Y

A

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K

N

N

D

D

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P

D

E

F

F

I

Q

E

A

E

E

L

L

H

E

Y

Y

Y

Y

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L

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R

N

D

Y

Y

S

V

G

G

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R

E

P

T

T

P

P

L

L

Y

Y

H

F

C

A

A

E

N

N

L

L

S

T

E

K

K

D

M

L

G

G

G

G

A

A

K

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

L

T

G

G

A

A

H
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H

K
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K

V

I

N

N

N

N

T

A

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

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R

M

M

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G

K

K

K

K

K

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

T

T

A

A

A

T

T

V

A

A

A

A

L

M

M

F

G

G

M

L

E

E

C

C

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Y

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M

G

G

A

A

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E

D

D

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I

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E

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R

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K

A

L

L

N

N

V

V

F

F

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R

M

M

Q

K

M

L

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L

G

G

A

A

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K

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P

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Q

S

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T

L

L

K

K

E

D

A

A

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I

D

N

E

E

A

A

L

M

D

R

A

D

W

W

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K

T

D

N

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E

N

D

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T

F

F

Y

Y

L

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G

G

S
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S

A

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V

V

G

G

P

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H

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P

Y

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P

F

M

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M

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F

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I

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G

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L

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P

D

D

C

A

C

I

I

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

I

M

G

G

I

I

F

F

S

H

G

P

F

F

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I

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D

D

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E

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G

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E

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A

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A

G

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G

G

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Y

T

G

G

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K

H

H

A

A

A

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C

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L

A

G

G

E

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P

G

G

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H

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G

F

A

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Y

M

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A

D

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G

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A

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G

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L

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D

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Y

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G

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P

E

E

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H

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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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T

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G

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K

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D

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Q

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G

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D

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R

binding pyridoxal-5'-phosphate: H81 (= H90), K82 (= K91), Q109 (= Q118), S185 (= S194), G227 (= G236), G229 (= G238), S230 (= S239), N231 (= N240), E345 (= E354), S371 (= S380), G372 (= G381)

5t6mB Structure of the tryptophan synthase b-subunit from pyroccus furiosus with b-methyltryptophan non-covalently bound (see paper)
63% identity, 93% coverage: 11:387/406 of query aligns to 2:378/386 of 5t6mB

query
sites
5t6mB

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

I

P

E

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H

H

K
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K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

R

F

M

M

G

G

K

K

K

T

K

R

I

L

I

I

A

A

E
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E

T
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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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

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T

D

I

I

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Y

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M

G

G

A

A

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E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

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V

I

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P

A

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E

N

S

S

G

G

Q

S

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R

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T

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L

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K

E

D

A

A

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I

D

N

E

E

A

A

L

L

D

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A

D

W

W

V

V

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S

S

A

V

V

V

G

G

P

P

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H

P

P

Y

Y

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P

F

T

M

I

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V

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D

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F

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I

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G

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E

A

A

R

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A

A

E

E

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G

K

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L

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P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

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K

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L

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G

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K

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L

A

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F

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H

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D

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S

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G

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L

D

D

Y
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Y

P

P

S

G

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V

G

G

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P

E

E

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H

A

A

H

Y

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L

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K

D

K

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R

R

A

A

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Y

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T

D

D

K

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K

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E

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L

L

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S

G

G

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R

G

G

D

D

K

K

D

D

V

L

active site: K82 (= K91), E104 (= E113), S371 (= S380)
binding (betaS)-beta-methyl-L-tryptophan: K82 (= K91), E104 (= E113), T105 (= T114), A107 (= A116), Q109 (= Q118), H110 (= H119), G298 (= G307), Y301 (= Y310)

1v8zA X-ray crystal structure of the tryptophan synthase b2 subunit from hyperthermophile, pyrococcus furiosus (see paper)
63% identity, 93% coverage: 11:387/406 of query aligns to 2:378/386 of 1v8zA

query
sites
1v8zA

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

I

P

E

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H
|
H

K
|
K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

R

F

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

V

T

D

I

I

H

Y

M

M

G

G

A

A

V

E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

V

V

V

I

P

P

A

V

E

N

S

S

G

G

Q

S

R

R

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

L

D

R

A

D

W

W

V

V

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S
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S

A

V

V

V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

T

M

I

V

V

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R

E

D

F

F

Q

Q

S

S

V

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V

I

G

G

R

R

E

E

A

A

R

K

K

A

Q

Q

V

I

L

L

K

E

A

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G
|
G

G
|
G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

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K

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L

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H

A

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A

A

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S

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C

N

L

A

G

G

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P

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G

G

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V

M

F

H

H

G

G

F

M

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Y

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F

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Q

D

D

E

E

A

E

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G

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A

K

E

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T

Y

H

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I

S

A

A

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G

G

L

L

D

D

Y

Y

P

P

S

G

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V

G

G

P

P

E

E

H

H

A

A

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Y

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L

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K

D

K

L

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R

A

A

E

E

Y

Y

V

V

H

T

A

V

S

T

D

D

K

E

E

E

A

A

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L

D

K

A

A

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F

F

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E

E

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L

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S

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T

E

E

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G

I

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P

A

A

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L

E
|
E

S

S

S

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H

A

A

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V

A

A

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Y

A

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A

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E

M

M

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R

D

D

Q

E

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I

I

I

I

I

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V

N

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S

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G

R

R

G

G

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D

K

K

D

D

V

L

active site: K82 (= K91), E104 (= E113), S371 (= S380)
binding pyridoxal-5'-phosphate: H81 (= H90), K82 (= K91), Q109 (= Q118), S185 (= S194), G227 (= G236), G228 (= G237), G229 (= G238), S230 (= S239), N231 (= N240), E345 (= E354), S371 (= S380), G372 (= G381)

5dw0A Trpb from pyrococcus furiosus with l-serine bound as the external aldimine (see paper)
63% identity, 93% coverage: 11:387/406 of query aligns to 2:378/388 of 5dw0A

query
sites
5dw0A

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

I

P

E

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H
|
H

K
|
K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

R

F

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

V

T

D

I

I

H

Y

M

M

G

G

A

A

V

E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

V

V

V

I

P

P

A

V

E

N

S

S

G

G

Q

S

R

R

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

L

D

R

A

D

W

W

V

V

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S
|
S

A

V

V

V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

T

M

I

V

V

R

R

E

D

F

F

Q

Q

S

S

V

V

V

I

G

G

R

R

E

E

A

A

R

K

K

A

Q

Q

V

I

L

L

K

E

A

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

V

V

K

K

L

L

V

V

G

G

V

V

E

E

P

A

S

G

G

G

R

K

G

G

L

L

E

E

Y

S

G

G

E

K

H

H

A

S

A

A

S

S

I

L

C

N

L

A

G

G

E

Q

P

V

G

G

V

V

M

F

H

H

G

G

F

M

N

L

S

S

Y

Y

M

F

L

L

K

Q

D

D

E

E

A

E

G

G

E

Q

P

I

A

K

E

P

V

T

Y

H

S

S

I

I

S

A

A

P

G
|
G

L

L

D
|
D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

Y

L

L

K

K

D

K

L

I

G

Q

R

R

A

A

E

E

Y

Y

V

V

H

T

A

V

S

T

D

D

K

E

E

E

A

A

V

L

D

K

A

A

F

F

F

H

E

E

L

L

S

S

Q

R

M

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

H

Y

A

A

L

M

R

K

I

L

A

A

P

K

N

E

M

M

E

S

K

R

D

D

Q

E

I

I

I

I

I

I

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

active site: K82 (= K91), E104 (= E113), S371 (= S380)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine: H81 (= H90), K82 (= K91), T105 (= T114), G106 (= G115), A107 (= A116), Q109 (= Q118), H110 (= H119), S185 (= S194), G227 (= G236), G229 (= G238), S230 (= S239), N231 (= N240), G298 (= G307), D300 (= D309), E345 (= E354), S371 (= S380)

6am8B Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9 with trp bound as e(aex2) (see paper)
63% identity, 93% coverage: 11:387/406 of query aligns to 2:378/385 of 6am8B

query
sites
6am8B

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P
|
P

E

E

P

T

I

L

I

V

P

G

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

V

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H
|
H

K
|
K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

R

L

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

V

T

D

I

I

H

Y

M

M

G

G

A

A

V

E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

V

V

V

I

P

P

A

V

E

N

S

S

G

G

Q

S

R

R

T

T

L
|
L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L
|
L

D

R

A

D

W

W

V

V

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S
|
S

A

V

V
|
V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

T

M

I

V

V

R

R

E

D

F

F

Q

Q

S

S

V

V

V

I

G

G

R

R

E

E

A

A

R

K

K

A

Q

Q

V

I

L

L

K

E

A

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G
|
G

G
|
G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

V

V

K

K

L

L

V

V

G

G

V

V

E

E

P

A

S

G

G

G

R

K

G

G

L

L

E

E

Y

S

G

G

E

K

H

H

A

S

A

A

S

S

I

L

C

N

L

A

G

G

E

Q

P

V

G

G

V

V

M
x
S

H
|
H

G

G

F

M

N

L

S

S

Y

Y

M

F

L

L

K

Q

D

D

E

E

A

E

G

G

E

Q

P

I

A

K

E

P

V

S

Y

H

S

S

I

I

S

A

A

P

G
|
G

L

L

D

D

Y
|
Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

Y

L

L

K

K

D

K

L

I

G

Q

R

R

A

A

E

E

Y

Y

V

V

H

A

A

V

S

T

D

D

K

E

E

E

A

A

V

L

D

K

A

A

F

F

F

H

E

E

L

L

S

S

Q

R

M

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

H

Y

A

A

L

M

R

K

I

L

A

A

P

K

N

E

M

M

E

S

K

R

D

D

Q

E

I

I

I

I

I

I

V

V

N

N

L

L

S
|
S

G
|
G

R

R

G

G

D

D

K

K

D

D

V

L

active site: K82 (= K91), E104 (= E113), S371 (= S380)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane: H81 (= H90), K82 (= K91), E104 (= E113), T105 (= T114), G106 (= G115), A107 (= A116), Q109 (= Q118), H110 (= H119), L161 (= L170), S185 (= S194), V187 (= V196), G227 (= G236), G228 (= G237), G229 (= G238), S230 (= S239), N231 (= N240), G298 (= G307), Y301 (= Y310), E345 (= E354), S371 (= S380), G372 (= G381)
binding tryptophan: P12 (= P21), L169 (= L178), S274 (≠ M283), H275 (= H284)

5dw3A Tryptophan synthase beta-subunit from pyrococcus furiosus with product l-tryptophan non-covalently bound in the active site (see paper)
63% identity, 93% coverage: 11:387/406 of query aligns to 2:377/383 of 5dw3A

query
sites
5dw3A

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

I

P

E

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H

H

K
|
K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

R

F

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

V

T

D

I

I

H

Y

M

M

G

G

A

A

V

E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

V

V

V

I

P

P

A

V

E

N

S

S

G

G

Q

S

R

R

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

L

D

R

A

D

W

W

V

V

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S
|
S

A

V

V

V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

T

M

I

V

V

R

R

E

D

F

F

Q

Q

S

S

V

V

V

I

G

G

R

R

E

E

A

A

R

K

K

A

Q

Q

V

I

L

L

K

E

A

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G

G

G
|
G

G

G

S

S

N

N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

V

V

K

K

L

L

V

V

G

G

V

V

E

E

P

A

S

G

G

G

R

K

G

G

L

L

E

E

Y

S

G

G

E

K

H

H

A

S

A

A

S

S

I

L

C

N

L

A

G

G

E

Q

P

V

G

G

V

V

M

F

H

H

G

G

F

M

N

L

S

S

Y

Y

M

F

L

L

K

Q

D

D

E

E

A

-

G

G

E

Q

P

I

A

K

E

P

V

T

Y

H

S

S

I

I

S

A

A

P

G

G

L

L

D

D

Y
|
Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

Y

L

L

K

K

D

K

L

I

G

Q

R

R

A

A

E

E

Y

Y

V

V

H

T

A

V

S

T

D

D

K

E

E

E

A

A

V

L

D

K

A

A

F

F

F

H

E

E

L

L

S

S

Q

R

M

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

L

V

A

A

H

Y

A

A

L

M

R

K

I

L

A

A

P

K

N

E

M

M

E

S

K

R

D

D

Q

E

I

I

I

I

I

I

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

active site: K82 (= K91), E104 (= E113), S370 (= S380)
binding tryptophan: K82 (= K91), E104 (= E113), T105 (= T114), G106 (= G115), A107 (= A116), Q109 (= Q118), H110 (= H119), S185 (= S194), G228 (= G237), Y300 (= Y310)

7rnpA Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9_h275e with 4-cl-trp non-covalently bound (see paper)
62% identity, 93% coverage: 11:387/406 of query aligns to 2:378/384 of 7rnpA

query
sites
7rnpA

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

V

P

G

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

V

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H

H

K
|
K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

R

L

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

V

T

D

I

I

H

Y

M

M

G

G

A

A

V

E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

V

V

V

I

P

P

A

V

E

N

S

S

G

G

Q

S

R

R

T

T

L
|
L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

L

D

R

A

D

W

W

V

V

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S
|
S

A

V

V
|
V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

T

M

I

V

V

R

R

E

D

F

F

Q

Q

S

S

V

V

V

I

G

G

R

R

E

E

A

A

R

K

K

A

Q

Q

V

I

L

L

K

E

A

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G

G

G
|
G

G

G

S

S

N

N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

V

V

K

K

L

L

V

V

G

G

V

V

E

E

P

A

S

G

G

G

R

K

G

G

L

L

E

E

Y

S

G

G

E

K

H

H

A

S

A

A

S

S

I

L

C

N

L

A

G

G

E

Q

P

V

G

G

V

V

M

S

H

E

G

G

F

M

N

L

S

S

Y

Y

M

F

L

L

K

Q

D

D

E

E

A

E

G

G

E

Q

P

I

A

K

E

P

V

S

Y

H

S

S

I

I

S

A

A

P

G

G

L

L

D

D

Y
|
Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

Y

L

L

K

K

D

K

L

I

G

Q

R

R

A

A

E

E

Y

Y

V

V

H

A

A

V

S

T

D

D

K

E

E

E

A

A

V

L

D

K

A

A

F

F

F

H

E

E

L

L

S

S

Q

R

M

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

L

V

A

A

H

Y

A

A

L

M

R

K

I

L

A

A

P

K

N

E

M

M

E

S

K

R

D

D

Q

E

I

I

I

I

I

I

V

V

N

N

L

L

S

S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

binding 4-chloro-L-tryptophan: K82 (= K91), E104 (= E113), T105 (= T114), H110 (= H119), L161 (= L170), S185 (= S194), V187 (= V196), G228 (= G237), Y301 (= Y310)

5t6mA Structure of the tryptophan synthase b-subunit from pyroccus furiosus with b-methyltryptophan non-covalently bound (see paper)
63% identity, 93% coverage: 11:387/406 of query aligns to 2:376/383 of 5t6mA

query
sites
5t6mA

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

I

P

E

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H

H

K
|
K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

R

F

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

V

T

D

I

I

H

Y

M

M

G

G

A

A

V

E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

V

V

V

I

P

P

A

V

E

N

S

S

G

G

Q

S

R

R

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

L

D

R

A

D

W

W

V

V

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S

S

A

V

V

V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

T

M

I

V

V

R

R

E

D

F

F

Q

Q

S

S

V

V

V

I

G

G

R

R

E

E

A

A

R

K

K

A

Q

Q

V

I

L

L

K

E

A

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

V

V

K

K

L

L

V

V

G

G

V

V

E

E

P

A

S

G

G

G

R

K

G

G

L

L

E

E

Y

S

G

G

E

K

H

H

A

S

A

A

S

S

I

L

C

N

L

A

G

G

E

Q

P

V

G

G

V

V

M

F

H

H

G

G

F

M

N

L

S

S

Y

Y

M

F

L

L

K

Q

D

D

E

-

A

-

G

G

E

Q

P

I

A

K

E

P

V

T

Y

H

S

S

I

I

S

A

A

P

G

G

L

L

D

D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

Y

L

L

K

K

D

K

L

I

G

Q

R

R

A

A

E

E

Y

Y

V

V

H

T

A

V

S

T

D

D

K

E

E

E

A

A

V

L

D

K

A

A

F

F

F

H

E

E

L

L

S

S

Q

R

M

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

L

V

A

A

H

Y

A

A

L

M

R

K

I

L

A

A

P

K

N

E

M

M

E

S

K

R

D

D

Q

E

I

I

I

I

I

I

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

active site: K82 (= K91), E104 (= E113), S369 (= S380)
binding phosphate ion: K82 (= K91), T105 (= T114), G106 (= G115), A107 (= A116), Q109 (= Q118), H110 (= H119)

5ixjD Tryptophan synthase beta-subunit from pyrococcus furiosus with l- threonine non-covalently bound in the active site (see paper)
63% identity, 93% coverage: 11:387/406 of query aligns to 2:376/394 of 5ixjD

query
sites
5ixjD

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

I

P

E

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H

H

K
|
K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

R

F

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

V

T

D

I

I

H

Y

M

M

G

G

A

A

V

E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

V

V

V

I

P

P

A

V

E

N

S

S

G

G

Q

S

R

R

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

L

D

R

A

D

W

W

V

V

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S

S

A

V

V

V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

T

M

I

V

V

R

R

E

D

F

F

Q

Q

S

S

V

V

V

I

G

G

R

R

E

E

A

A

R

K

K

A

Q

Q

V

I

L

L

K

E

A

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

V

V

K

K

L

L

V

V

G

G

V

V

E

E

P

A

S

G

G

G

R

K

G

G

L

L

E

E

Y

S

G

G

E

K

H

H

A

S

A

A

S

S

I

L

C

N

L

A

G

G

E

Q

P

V

G

G

V

V

M

F

H

H

G

G

F

M

N

L

S

S

Y

Y

M

F

L

L

K

Q

D

D

E

-

A

-

G

G

E

Q

P

I

A

K

E

P

V

T

Y

H

S

S

I

I

S

A

A

P

G

G

L

L

D
|
D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

Y

L

L

K

K

D

K

L

I

G

Q

R

R

A

A

E

E

Y

Y

V

V

H

T

A

V

S

T

D

D

K

E

E

E

A

A

V

L

D

K

A

A

F

F

F

H

E

E

L

L

S

S

Q

R

M

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

L

V

A

A

H

Y

A

A

L

M

R

K

I

L

A

A

P

K

N

E

M

M

E

S

K

R

D

D

Q

E

I

I

I

I

I

I

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

active site: K82 (= K91), E104 (= E113), S369 (= S380)
binding threonine: T105 (= T114), G106 (= G115), Q109 (= Q118), H110 (= H119), D298 (= D309)

5vm5D Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9, with ser bound (see paper)
62% identity, 93% coverage: 11:387/406 of query aligns to 2:376/383 of 5vm5D

query
sites
5vm5D

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

V

P

G

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

V

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H
|
H

K
|
K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

R

L

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

V

T

D

I

I

H

Y

M

M

G

G

A

A

V

E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

V

V

V

I

P

P

A

V

E

N

S

S

G

G

Q

S

R

R

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

L

D

R

A

D

W

W

V

V

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S
|
S

A

V

V

V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

T

M

I

V

V

R

R

E

D

F

F

Q

Q

S

S

V

V

V

I

G

G

R

R

E

E

A

A

R

K

K

A

Q

Q

V

I

L

L

K

E

A

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

V

V

K

K

L

L

V

V

G

G

V

V

E

E

P

A

S

G

G

G

R

K

G

G

L

L

E

E

Y

S

G

G

E

K

H

H

A

S

A

A

S

S

I

L

C

N

L

A

G

G

E

Q

P

V

G

G

V

V

M

S

H

H

G

G

F

M

N

L

S

S

Y

Y

M

F

L

L

K

Q

D

D

E

G

A

Q

G

I

E

K

P

P

A

S

E

-

V

-

Y

H

S

S

I

I

S

A

A

P

G
|
G

L

L

D

D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

Y

L

L

K

K

D

K

L

I

G

Q

R

R

A

A

E

E

Y

Y

V

V

H

A

A

V

S

T

D

D

K

E

E

E

A

A

V

L

D

K

A

A

F

F

F

H

E

E

L

L

S

S

Q

R

M

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

H

Y

A

A

L

M

R

K

I

L

A

A

P

K

N

E

M

M

E

S

K

R

D

D

Q

E

I

I

I

I

I

I

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

active site: K82 (= K91), E104 (= E113), S369 (= S380)
binding 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid: H81 (= H90), K82 (= K91), T105 (= T114), G106 (= G115), A107 (= A116), Q109 (= Q118), H110 (= H119), S185 (= S194), G227 (= G236), G229 (= G238), S230 (= S239), N231 (= N240), G296 (= G307), E343 (= E354), S369 (= S380)

6cutA Engineered holo trpb from pyrococcus furiosus, pftrpb7e6 with (2s,3s)- isopropylserine bound as the external aldimine (see paper)
62% identity, 93% coverage: 11:387/406 of query aligns to 2:378/385 of 6cutA

query
sites
6cutA

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

V

P

G

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H
|
H

K
|
K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

P

L

L

A

A

K

K

R

L

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

V

T

D

I

I

H

Y

M

M

G

G

A

A

V

E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

V

V

V

I

P

P

A

V

E

N

S

S

G

G

Q

S

R

R

T

T

L

A

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

L

D

R

A

D

W

W

V

E

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S
|
S

A

V

V

V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

T

M

I

V

V

R

R

E

D

F

F

Q

Q

S

S

V

V

V

I

G

G

R

R

E

E

A

A

R

K

K

A

Q

Q

V

I

L

L

K

E

A

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

V

V

K

K

L

L

V

V

G

G

V

V

E

E

P

A

S

G

G

G

R

K

G

G

L

L

E

E

Y

S

G

G

E

K

H

H

A

S

A

A

S

S

I

L

C

N

L

A

G

G

E

Q

P

V

G

G

V

V

M

L

H

H

G

G

F

M

N

L

S

S

Y

Y

M

F

L

L

K

Q

D

D

E

E

A

E

G

G

E

Q

P

I

A

K

E

P

V

S

Y

H

S

S

I

I

S

A

A

P

G
|
G

L

L

D

D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

Y

L

L

K

K

D

K

L

I

G

Q

R

R

A

A

E

E

Y

Y

V

V

H

T

A

V

S

T

D

D

K

E

E

E

A

A

V

L

D

K

A

A

F

F

F

H

E

E

L

L

S

S

Q

R

M

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

H

Y

A

A

L

M

R

K

I

L

A

A

P

K

N

E

M

M

E

S

K

R

D

D

Q

E

I

I

I

I

I

I

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

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 (= H90), K82 (= K91), T105 (= T114), G106 (= G115), A107 (= A116), Q109 (= Q118), H110 (= H119), S185 (= S194), G227 (= G236), G229 (= G238), S230 (= S239), N231 (= N240), G298 (= G307), E345 (= E354), S371 (= S380)

6cuzA Engineered trpb from pyrococcus furiosus, pftrpb7e6 with (2s,3r)- ethylserine bound as the amino-acrylate (see paper)
62% identity, 93% coverage: 11:387/406 of query aligns to 2:378/383 of 6cuzA

query
sites
6cuzA

F

W

F

F

G

G

E

E

Y

F

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

T

I

L

I

V

P

G

I

P

L

L

N

K

T

E

L

L

A

E

E

K

A

A

F

Y

E

K

K

R

Y

F

R

K

N

D

D

D

P

E

D

E

F

F

I

N

E

R

E

Q

L

L

H

N

Y

Y

Y

Y

L

L

S

K

N

T

Y

W

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

Y

C

A

A

K

N

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

K

K

I

I

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

L

G

G

G

A

A

H
|
H

K
|
K

V

T

N

N

N

N

T

A

I

I

G

G

Q

Q

I

A

L

P

L

L

A

A

K

K

R

L

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

M

T

A

A

G

A

A

L

L

M

L

G

G

M

M

E

K

C

V

T

D

I

I

H

Y

M

M

G

G

A

A

V

E

D

D

V

V

E

E

R

R

Q

Q

K

K

L

M

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

N

V

V

V

I

P

P

A

V

E

N

S

S

G

G

Q

S

R

R

T

T

L

A

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

L

D

R

A

D

W

W

V

E

K

A

D

T

A

F

E

E

N

Y

T

T

F

H

Y

Y

L

L

L

I

G

G

S
|
S

A

V

V

V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

T

M

I

V

V

R

R

E

D

F

F

Q

Q

S

S

V

V

V

I

G

G

R

R

E

E

A

A

R

K

K

A

Q

Q

V

I

L

L

K

E

A

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

C

I

I

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

I

I

F

F

S

Y

G

P

F

F

V

V

E

N

D

D

E

K

G

K

V

V

K

K

L

L

V

V

G

G

V

V

E

E

P

A

S

G

G

G

R

K

G

G

L

L

E

E

Y

S

G

G

E

K

H

H

A

S

A

A

S

S

I

L

C

N

L

A

G

G

E

Q

P

V

G

G

V

V

M

L

H

H

G

G

F

M

N

L

S

S

Y

Y

M

F

L

L

K

Q

D

D

E

E

A

E

G

G

E

Q

P

I

A

K

E

P

V

S

Y

H

S

S

I

I

S

A

A

P

G
|
G

L

L

D

D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

Y

L

L

K

K

D

K

L

I

G

Q

R

R

A

A

E

E

Y

Y

V

V

H

T

A

V

S

T

D

D

K

E

E

E

A

A

V

L

D

K

A

A

F

F

F

H

E

E

L

L

S

S

Q

R

M

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

H

Y

A

A

L

M

R

K

I

L

A

A

P

K

N

E

M

M

E

S

K

R

D

D

Q

E

I

I

I

I

I

I

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

binding (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid: H81 (= H90), K82 (= K91), T105 (= T114), G106 (= G115), A107 (= A116), Q109 (= Q118), H110 (= H119), S185 (= S194), G227 (= G236), G229 (= G238), S230 (= S239), N231 (= N240), G298 (= G307), E345 (= E354), S371 (= S380)

6usaB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk1-bound form (see paper)
54% identity, 95% coverage: 2:387/406 of query aligns to 5:393/404 of 6usaB

query
sites
6usaB

T

T

T

S

T

H

T

D

C

P

D

D

A

S

R

G

G

G

F

H

F

F

G

G

E

G

-

P

-

S

-

G

Y

W

G

G

G

G

Q

R

Y

Y

V

V

P

P

E

E

P

A

I

L

I

M

P

A

I

V

L

I

N

E

T

E

L

V

A

T

E

A

A

A

F

Y

E

Q

K

K

Y

E

R

R

N

V

D

S

P

Q

D

D

F

F

I

L

E

D

E

D

L

L

H

D

Y

R

Y

L

L

Q

S

A

N

N

Y

Y

S

A

G

G

R

R

E

P

T

S

P

P

L

L

Y

Y

H

E

C

A

A

T

N

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

K

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

L

T

G

G

A

S

H
|
H

K
|
K

V

I

N

N

N

N

T

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

K

R

R

R

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

T

T

A

A

C

A

A

L

L

M

L

G

G

M

L

E

D

C

C

T

V

I

I

H

Y

M

M

G

G

A

G

V

I

D

D

V

T

E

A

R

R

Q

Q

K

A

L

L

N

N

V

V

F

A

R

R

M

M

Q

R

M

L

L

L

G

G

A

A

N

E

V

V

V

V

P

A

A

V

E

Q

S

T

G

G

Q

S

R

K

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L
x
F

D

R

A

D

W
|
W

V

V

K

A

D

N

A

A

E

D

N

N

T

T

F

Y

Y
|
Y

L

C

L
x
F

G

G

S
x
T

A

A

V

A

G
|
G

P
|
P

H

H

P

P

Y
x
F

P

P

F

T

M

M

V

V

R

R

E

D

F

F

Q

Q

S

R

V

I

V

I

G

G

R

M

E

E

A

A

R

R

K

V

Q

Q

V

I

L

Q

K

G

A

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

C

V

I

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

I

G

G

I

I

F

F

S

H

G

A

F

F

V

L

E

D

D

D

E

P

G

G

V

V

K

R

L

L

V

V

G

G

V

F

E

E

P

A

S

A

G

G

R

D

G

G

L

V

E

E

Y

T

G

G

E

R

H

H

A

A

A

A

S

T

I

F

C

T

L

A

G

G

E

S

P

P

G

G

V

A

M

F

H
|
H

G
|
G

F

S

N

F

S

S

Y

Y

M

L

L

L

K

Q

D

D

E

E

A

D

G

G

E

Q

P

T

A

I

E

E

V

S

Y

H

S

S

I

I

S

S

A

A

G
|
G

L

L

D

D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

W

L

L

K

K

D

E

L

A

G

G

R

R

A

V

E

D

Y

Y

V

R

H

P

A

I

S

T

D

D

K

S

E

E

A

A

V

M

D

D

A

A

F

F

F

G

E

L

L

L

S

C

Q

R

M

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

H

G

A

A

L

L

R

K

I

L

A

G

P

V

N

E

M

L

E

G

K

R

D

G

Q

A

I

V

I

I

I

V

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

active site: K97 (= K91), E119 (= E113), S386 (= S380)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H96 (= H90), K97 (= K91), T120 (= T114), G121 (= G115), A122 (= A116), G123 (= G117), Q124 (= Q118), H125 (= H119), T200 (≠ S194), G242 (= G236), G244 (= G238), S245 (= S239), N246 (= N240), G313 (= G307), E360 (= E354), S386 (= S380)
binding (3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol: F184 (≠ L178), W187 (= W181), Y196 (= Y190), F198 (≠ L192), G203 (= G197), P204 (= P198), F207 (≠ Y201), H290 (= H284), G291 (= G285)

6dweB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and brd0059-bound form
54% identity, 95% coverage: 2:387/406 of query aligns to 5:393/404 of 6dweB

query
sites
6dweB

T

T

T

S

T

H

T

D

C

P

D

D

A

S

R

G

G

G

F

H

F

F

G

G

E

G

-

P

-

S

-

G

Y

W

G

G

G

G

Q

R

Y

Y

V

V

P

P

E

E

P

A

I

L

I

M

P

A

I

V

L

I

N

E

T

E

L

V

A

T

E

A

A

A

F

Y

E

Q

K

K

Y

E

R

R

N

V

D

S

P

Q

D

D

F

F

I

L

E

D

E

D

L

L

H

D

Y

R

Y

L

L

Q

S

A

N

N

Y

Y

S

A

G

G

R

R

E

P

T

S

P

P

L

L

Y

Y

H

E

C

A

A

T

N

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

K

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

L

T

G

G

A

S

H
|
H

K
|
K

V

I

N

N

N

N

T

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

K

R

R

R

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

T

T

A

A

C

A

A

L

L

M

L

G

G

M

L

E

D

C

C

T

V

I

I

H

Y

M

M

G

G

A

G

V

I

D

D

V

T

E

A

R

R

Q

Q

K

A

L

L

N

N

V

V

F

A

R

R

M

M

Q

R

M

L

L

L

G

G

A

A

N

E

V

V

V

V

P

A

A

V

E

Q

S

T

G

G

Q

S

R

K

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L
x
F

D

R

A

D

W

W

V

V

K

A

D

N

A

A

E

D

N

N

T

T

F

Y

Y
|
Y

L

C

L
x
F

G

G

S
x
T

A

A

V

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

F

T

M

M

V

V

R

R

E

D

F

F

Q

Q

S

R

V

I

V

I

G

G

R

M

E

E

A

A

R

R

K

V

Q

Q

V

I

L

Q

K

G

A

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

C

V

I

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

I

G

G

I

I

F

F

S

H

G

A

F

F

V

L

E

D

D

D

E

P

G

G

V

V

K

R

L

L

V

V

G

G

V

F

E

E

P

A

S

A

G

G

R

D

G

G

L

V

E

E

Y

T

G

G

E

R

H

H

A

A

A

A

S

T

I

F

C

T

L

A

G

G

E

S

P

P

G

G

V

A

M

F

H
|
H

G

G

F

S

N

F

S

S

Y

Y

M

L

L

L

K

Q

D

D

E

E

A

D

G

G

E

Q

P

T

A

I

E

E

V

S

Y

H

S

S

I

I

S

S

A

A

G
|
G

L

L

D

D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

W

L

L

K

K

D

E

L

A

G

G

R

R

A

V

E

D

Y

Y

V

R

H

P

A

I

S

T

D

D

K

S

E

E

A

A

V

M

D

D

A

A

F

F

F

G

E

L

L

L

S

C

Q

R

M

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

H

G

A

A

L

L

R

K

I

L

A

G

P

V

N

E

M

L

E

G

K

R

D

G

Q

A

I

V

I

I

I

V

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

active site: K97 (= K91), E119 (= E113), S386 (= S380)
binding (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: F184 (≠ L178), Y196 (= Y190), F198 (≠ L192), P204 (= P198), F207 (≠ Y201), H290 (= H284)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H96 (= H90), K97 (= K91), T120 (= T114), G121 (= G115), A122 (= A116), G123 (= G117), Q124 (= Q118), H125 (= H119), T200 (≠ S194), G242 (= G236), G244 (= G238), S245 (= S239), N246 (= N240), G313 (= G307), E360 (= E354), S386 (= S380)

5ocwB Structure of mycobacterium tuberculosis tryptophan synthase in space group f222 (see paper)
54% identity, 95% coverage: 2:387/406 of query aligns to 1:389/399 of 5ocwB

query
sites
5ocwB

T

T

T

S

T

H

T

D

C

P

D

D

A

S

R

G

G

G

F

H

F

F

G

G

E

G

-

P

-

S

-

G

Y

W

G

G

G

G

Q

R

Y

Y

V

V

P

P

E

E

P

A

I

L

I

M

P

A

I

V

L

I

N

E

T

E

L

V

A

T

E

A

A

A

F

Y

E

Q

K

K

Y

E

R

R

N

V

D

S

P

Q

D

D

F

F

I

L

E

D

E

D

L

L

H

D

Y

R

Y

L

L

Q

S

A

N

N

Y

Y

S

A

G

G

R

R

E

P

T

S

P

P

L

L

Y

Y

H

E

C

A

A

T

N

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

K

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

L

T

G

G

A

S

H
|
H

K
|
K

V

I

N

N

N

N

T

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

K

R

R

R

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

T

T

A

A

C

A

A

L

L

M

L

G

G

M

L

E

D

C

C

T

V

I

I

H

Y

M

M

G

G

A

G

V

I

D

D

V

T

E

A

R

R

Q

Q

K

A

L

L

N

N

V

V

F

A

R

R

M

M

Q

R

M

L

L

L

G

G

A

A

N

E

V

V

V

V

P

A

A

V

E

Q

S

T

G

G

Q

S

R

K

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

F

D

R

A

D

W

W

V

V

K

A

D

N

A

A

E

D

N

N

T

T

F

Y

Y

Y

L

C

L

F

G

G

S
x
T

A

A

V

A

G

G

P

P

H

H

P

P

Y

F

P

P

F

T

M

M

V

V

R

R

E

D

F

F

Q

Q

S

R

V

I

V

I

G

G

R

M

E

E

A

A

R

R

K

V

Q

Q

V

I

L

Q

K

G

A

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

C

V

I

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

I

G

G

I

I

F

F

S

H

G

A

F

F

V

L

E

D

D

D

E

P

G

G

V

V

K

R

L

L

V

V

G

G

V

F

E

E

P

A

S

A

G

G

R

D

G

G

L

V

E

E

Y

T

G

G

E

R

H

H

A

A

A

A

S

T

I

F

C

T

L

A

G

G

E

S

P

P

G

G

V

A

M

F

H

H

G

G

F

S

N

F

S

S

Y

Y

M

L

L

L

K

Q

D

D

E

E

A

D

G

G

E

Q

P

T

A

I

E

E

V

S

Y

H

S

S

I

I

S

S

A

A

G
|
G

L

L

D

D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

W

L

L

K

K

D

E

L

A

G

G

R

R

A

V

E

D

Y

Y

V

R

H

P

A

I

S

T

D

D

K

S

E

E

A

A

V

M

D

D

A

A

F

F

F

G

E

L

L

L

S

C

Q

R

M

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

H

G

A

A

L

L

R

K

I

L

A

G

P

V

N

E

M

L

E

G

K

R

D

G

Q

A

I

V

I

I

I

V

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

active site: K93 (= K91), E115 (= E113), S382 (= S380)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H92 (= H90), K93 (= K91), T116 (= T114), G117 (= G115), A118 (= A116), Q120 (= Q118), H121 (= H119), T196 (≠ S194), G238 (= G236), G240 (= G238), S241 (= S239), N242 (= N240), G309 (= G307), E356 (= E354), S382 (= S380)

6uapB Crystal structure of tryptophan synthase from m. Tuberculosis - open form with brd6309 bound
54% identity, 95% coverage: 2:387/406 of query aligns to 5:393/405 of 6uapB

query
sites
6uapB

T

T

T

S

T

H

T

D

C

P

D

D

A

S

R

G

G

G

F

H

F

F

G

G

E

G

-

P

-

S

-

G

Y

W

G

G

G

G

Q

R

Y

Y

V

V

P

P

E

E

P

A

I

L

I

M

P

A

I

V

L

I

N

E

T

E

L

V

A

T

E

A

A

A

F

Y

E

Q

K

K

Y

E

R

R

N

V

D

S

P

Q

D

D

F

F

I

L

E

D

E

D

L

L

H

D

Y

R

Y

L

L

Q

S

A

N

N

Y

Y

S

A

G

G

R

R

E

P

T

S

P

P

L

L

Y

Y

H

E

C

A

A

T

N

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

K

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

L

T

G

G

A

S

H

H

K
|
K

V

I

N

N

N

N

T

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

K

R

R

R

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

T

T

A

A

C

A

A

L

L

M

L

G

G

M

L

E

D

C

C

T

V

I

I

H

Y

M

M

G

G

A

G

V

I

D

D

V

T

E

A

R

R

Q

Q

K

A

L

L

N

N

V

V

F

A

R

R

M

M

Q

R

M

L

L

L

G

G

A

A

N

E

V

V

V

V

P

A

A

V

E

Q

S

T

G

G

Q

S

R

K

T

T

L

L

K

K

E

D

A

A

V
x
I

D
x
N

E

E

A

A

L
x
F

D

R

A

D

W

W

V

V

K

A

D

N

A

A

E

D

N

N

T

T

F

Y

Y
|
Y

L

C

L
x
F

G

G

S

T

A

A

V

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

F

T

M

M

V

V

R

R

E

D

F

F

Q

Q

S

R

V

I

V

I

G

G

R

M

E

E

A

A

R

R

K

V

Q

Q

V

I

L

Q

K

G

A

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

C

V

I

V

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

I

G

G

I

I

F

F

S

H

G

A

F

F

V

L

E

D

D

D

E

P

G

G

V

V

K

R

L

L

V

V

G

G

V

F

E

E

P

A

S

A

G

G

R

D

G

G

L

V

E

E

Y

T

G

G

E

R

H

H

A

A

A

A

S

T

I

F

C

T

L

A

G

G

E

S

P

P

G

G

V

A

M

F

H
|
H

G

G

F

S

N

F

S

S

Y

Y

M

L

L

L

K

Q

D

D

E

E

A

D

G

G

E

Q

P

T

A

I

E

E

V

S

Y

H

S

S

I

I

S

S

A

A

G

G

L

L

D

D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

W

L

L

K

K

D

E

L

A

G

G

R

R

A

V

E

D

Y

Y

V

R

H

P

A

I

S

T

D

D

K

S

E

E

A

A

V

M

D

D

A

A

F

F

F

G

E

L

L

L

S

C

Q

R

M

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E

E

S

S

S

A

H

H

A

A

L

V

A

A

H

G

A

A

L

L

R

K

I

L

A

G

P

V

N

E

M

L

E

G

K

R

D

G

Q

A

I

V

I

I

I

V

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

active site: K97 (= K91), E119 (= E113), S386 (= S380)
binding (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: I180 (≠ V174), N181 (≠ D175), F184 (≠ L178), Y196 (= Y190), F198 (≠ L192), P204 (= P198), F207 (≠ Y201), H290 (= H284)

6u6cB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk2-bound form (see paper)
54% identity, 95% coverage: 2:387/406 of query aligns to 6:394/405 of 6u6cB

query
sites
6u6cB

T

T

T

S

T

H

T

D

C

P

D

D

A

S

R

G

G

G

F

H

F

F

G

G

E

G

-

P

-

S

-

G

Y

W

G

G

G

G

Q

R

Y
|
Y

V

V

P

P

E

E

P

A

I

L

I

M

P

A

I

V

L

I

N

E

T

E

L

V

A

T

E

A

A

A

F

Y

E

Q

K

K

Y

E

R

R

N

V

D

S

P

Q

D

D

F

F

I

L

E

D

E

D

L

L

H

D

Y

R

Y

L

L

Q

S

A

N

N

Y

Y

S

A

G

G

R

R

E

P

T

S

P

P

L

L

Y

Y

H

E

C

A

A

T

N

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

K

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

L

T

G

G

A

S

H
|
H

K
|
K

V

I

N

N

N

N

T

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

K

R

R

R

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

T

T

A

A

C

A

A

L

L

M

L

G

G

M

L

E

D

C

C

T

V

I

I

H

Y

M

M

G

G

A

G

V

I

D

D

V

T

E

A

R

R

Q

Q

K

A

L

L

N

N

V

V

F

A

R

R

M

M

Q

R

M

L

L

L

G

G

A

A

N

E

V

V

V

V

P

A

A

V

E

Q

S

T

G

G

Q

S

R

K

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L
x
F

D

R

A

D

W
|
W

V

V

K

A

D

N

A

A

E

D

N

N

T

T

F

Y

Y
|
Y

L

C

L
x
F

G

G

S
x
T

A

A

V

A

G
|
G

P
|
P

H

H

P

P

Y

F

P

P

F

T

M

M

V

V

R

R

E

D

F

F

Q

Q

S

R

V

I

V

I

G

G

R

M

E

E

A

A

R

R

K

V

Q

Q

V

I

L

Q

K

G

A

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

C

V

I

V

A

A

C

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

I

G

G

I

I

F

F

S

H

G

A

F

F

V

L

E

D

D

D

E

P

G

G

V

V

K

R

L

L

V

V

G

G

V

F

E

E

P

A

S

A

G

G

R

D

G

G

L

V

E

E

Y

T

G

G

E

R

H

H

A

A

A

A

S

T

I

F

C

T

L

A

G

G

E

S

P

P

G

G

V

A

M

F

H
|
H

G
|
G

F

S

N

F

S

S

Y

Y

M

L

L

L

K

Q

D

D

E

E

A

D

G

G

E

Q

P

T

A

I

E

E

V

S

Y

H

S

S

I

I

S

S

A

A

G
|
G

L

L

D

D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

W

L

L

K

K

D

E

L

A

G

G

R

R

A

V

E

D

Y

Y

V

R

H

P

A

I

S

T

D

D

K

S

E

E

A

A

V

M

D

D

A

A

F

F

F

G

E

L

L

L

S

C

Q

R

M

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

H

G

A

A

L

L

R

K

I

L

A

G

P

V

N

E

M

L

E

G

K

R

D

G

Q

A

I

V

I

I

I

V

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

active site: K98 (= K91), E120 (= E113), S387 (= S380)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H97 (= H90), K98 (= K91), T121 (= T114), G122 (= G115), A123 (= A116), Q125 (= Q118), H126 (= H119), T201 (≠ S194), G243 (= G236), G245 (= G238), S246 (= S239), N247 (= N240), G314 (= G307), E361 (= E354), S387 (= S380)
binding 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide: Y26 (= Y19), F185 (≠ L178), W188 (= W181), Y197 (= Y190), F199 (≠ L192), G204 (= G197), P205 (= P198), H291 (= H284), G292 (= G285)

5tciH Crystal structure of tryptophan synthase from m. Tuberculosis - brd4592-bound form (see paper)
54% identity, 95% coverage: 2:387/406 of query aligns to 6:394/406 of 5tciH

query
sites
5tciH

T

T

T

S

T

H

T

D

C

P

D

D

A

S

R

G

G

G

F

H

F

F

G

G

E

G

-

P

-

S

-

G

Y

W

G

G

G

G

Q

R

Y

Y

V

V

P
|
P

E

E

P

A

I
x
L

I

M

P

A

I

V

L

I

N

E

T

E

L

V

A

T

E

A

A

A

F

Y

E

Q

K

K

Y

E

R

R

N

V

D

S

P

Q

D

D

F

F

I

L

E

D

E

D

L

L

H

D

Y

R

Y

L

L

Q

S

A

N

N

Y

Y

S

A

G

G

R

R

E

P

T

S

P

P

L

L

Y

Y

H

E

C

A

A

T

N

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

K

R

I

I

Y

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

L

T

G

G

A

S

H

H

K
|
K

V

I

N

N

N

N

T

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

K

R

R

R

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

T

T

A

A

C

A

A

L

L

M

L

G

G

M

L

E

D

C

C

T

V

I

I

H

Y

M

M

G

G

A

G

V

I

D

D

V

T

E

A

R

R

Q

Q

K

A

L

L

N

N

V

V

F

A

R

R

M

M

Q

R

M

L

L

L

G

G

A

A

N

E

V

V

V

V

P

A

A

V

E

Q

S

T

G

G

Q

S

R

K

T

T

L

L

K

K

E

D

A

A

V

I

D

N

E

E

A

A

L

F

D

R

A

D

W

W

V

V

K

A

D

N

A

A

E

D

N

N

T

T

F

Y

Y
|
Y

L

C

L
x
F

G

G

S

T

A

A

V

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

F

T

M

M

V

V

R

R

E

D

F

F

Q

Q

S

R

V

I

V

I

G

G

R

M

E

E

A

A

R

R

K

V

Q

Q

V

I

L

Q

K

G

A

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

C

V

I

V

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

I

G

G

I

I

F

F

S

H

G

A

F

F

V

L

E

D

D

D

E

P

G

G

V

V

K

R

L

L

V

V

G

G

V

F

E

E

P

A

S

A

G

G

R

D

G

G

L

V

E

E

Y

T

G

G

E

R

H

H

A

A

A

A

S

T

I

F

C

T

L

A

G

G

E

S

P

P

G

G

V

A

M

F

H
|
H

G

G

F

S

N

F

S

S

Y

Y

M

L

L

L

K

Q

D

D

E

E

A

D

G

G

E

Q

P

T

A

I

E

E

V

S

Y

H

S

S

I

I

S

S

A

A

G

G

L

L

D

D

Y

Y

P

P

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

W

L

L

K

K

D

E

L

A

G

G

R

R

A

V

E

D

Y

Y

V

R

H

P

A

I

S

T

D

D

K

S

E

E

A

A

V

M

D

D

A

A

F

F

F

G

E

L

L

L

S

C

Q

R

M

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E

E

S

S

S

A

H

H

A

A

L

V

A

A

H

G

A

A

L

L

R

K

I

L

A

G

P

V

N

E

M

L

E

G

K

R

D

G

Q

A

I

V

I

I

I

V

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

active site: K98 (= K91), E120 (= E113), S387 (= S380)
binding (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile: P28 (= P21), L31 (≠ I24), Y197 (= Y190), F199 (≠ L192), P205 (= P198), F208 (≠ Y201), H291 (= H284)

8vhhA Engineered holo tryptophan synthase (tm9d8 ) Derived from t. Maritima trpb (see paper)
58% identity, 94% coverage: 9:390/406 of query aligns to 1:377/389 of 8vhhA

query
sites
8vhhA

R

K

G

G

F

Y

F

F

G

G

E

P

Y

Y

G

G

G

G

Q

Q

Y

Y

V

V

P

P

E

E

P

I

I

L

I

M

P

G

I

A

L

L

N

E

T

E

L

L

A

E

E

A

A

A

F

Y

E

E

K

G

Y

I

R

M

N

K

D

D

P

E

D

S

F

F

I

W

E

K

E

E

L

F

H

N

Y

D

Y

L

L

L

S

R

N

D

Y

Y

S

A

G

G

R

R

E

P

T

T

P

P

L

L

Y

Y

H

F

C

A

A

R

N

R

L

L

S

S

E

E

K

K

M

Y

G

G

G

-

A

A

K

R

I

V

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

L

H

H

L

T

G

G

A

A

H
|
H

K
|
K

V

I

N

N

N

N

T

A

I

I

G

G

Q

Q

I

V

L

L

L

L

A

A

K

K

R

L

M

M

G

G

K

K

K

T

K

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

T

T

A

A

A

T

T

A

A

A

A

A

L

L

M

F

G

G

M

M

E

E

C

C

T

V

I

I

H

Y

M

M

G

G

A

E

V

E

D

D

V

T

E

I

R

R

Q

Q

K

K

L

L

N

N

V

V

F

E

R

R

M

M

Q

K

M

L

L

L

G

G

A

A

N

K

V

V

V

V

P

P

A

V

E

K

S

S

G

G

Q

S

R

R

T

T

L

L

K

K

E

D

A

A

V

I

D

D

E

E

A

A

L

L

D

R

A

D

W

W

V

I

K

T

D

N

A

L

E

Q

N

T

T

T

F

Y

Y

Y

L

V

L

F

G

G

S
|
S

A

V

V

V

G

G

P

P

H

H

P

P

Y

Y

P

P

F

I

M

I

V

V

R

R

E

N

F

F

Q

Q

S

K

V

V

V

I

G

G

R

E

E

E

A

T

R

K

K

K

Q

Q

V

I

L

P

K

E

A

K

E

E

G

G

K

R

L

L

P

P

D

D

C

Y

C

I

I

V

A

A

C

C

V

V

G

S

G
|
G

G
|
G

S
|
S

N
|
N

A

A

I

A

G

G

I

I

F

F

S

Y

G

P

F

F

V

I

E

-

D

D

E

S

G

G

V

V

K

K

L

L

V

I

G

G

V

V

E

E

P

A

S

G

G

G

R

E

G

G

L

L

E

E

Y

T

G

G

E

K

H

H

A

A

A

A

S

S

I

L

C

L

L

K

G

G

E

K

P

I

G

G

V

Y

M

L

H

H

G

G

F

S

N

K

S

T

Y

F

M

V

L

L

K

Q

D

D

E

D

A

W

G

G

E

Q

P

V

A

Q

E

V

V

S

Y

H

S

S

I

V

S

S

A

A

G
|
G

L

L

D

D

Y

Y

P

S

S

G

V

V

G

G

P

P

E

E

H

H

A

A

H

Y

L

W

K

R

D

E

L

T

G

G

R

K

A

V

E

L

Y

Y

V

D

H

A

A

V

S

T

D

D

K

E

E

E

A

A

V

L

D

D

A

A

F

F

F

I

E

E

L

L

S

S

Q

R

M

L

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

S

H

H

A

A

L

L

A

A

H

Y

A

L

L

K

R

K

I

I

A

-

P

-

N

N

M

I

E

-

K

K

D

G

Q

K

I

V

I

V

I

V

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

A

E

Q

S

I

V

binding pyridoxal-5'-phosphate: H81 (= H90), K82 (= K91), Q109 (= Q118), S185 (= S194), G228 (= G237), G229 (= G238), S230 (= S239), N231 (= N240), G297 (= G307), E344 (= E354), S367 (= S380)

5kzmB Crystal structure of tryptophan synthase alpha-beta chain complex from francisella tularensis (see paper)
55% identity, 95% coverage: 11:396/406 of query aligns to 7:392/395 of 5kzmB

query
sites
5kzmB

F

Y

F

F

G

G

E

E

Y

Y

G

G

G

G

Q

Q

Y

F

V

V

P

P

E

Q

P

I

I

L

I

V

P

P

I

A

L

L

N

D

T

Q

L

L

A

E

E

Q

A

E

F

F

E

I

K

K

Y

A

R

Q

N

A

D

D

P

E

D

S

F

F

I

K

E

Q

E

E

L

F

H

K

Y

E

Y

L

L

L

S

Q

N

E

Y

Y

S

A

G

G

R

R

E

P

T

T

P

A

L

L

Y

T

H

K

C

T

A

R

N

N

L

I

S

V

E

-

K

K

M

N

G

T

G

R

A

T

K

K

I

L

Y

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

L

H

H

L

G

G

G

A

A

H

H

K
|
K

V

T

N

N

N

Q

T

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

K

K

R

R

M

M

G

G

K

K

K

K

K

E

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

T

T

A

A

A

L

T

A

A

C

A

A

L

L

M

L

G

D

M

L

E

K

C

C

T

R

I

V

H

Y

M

M

G

G

A

A

V

K

D

D

V

V

E

E

R

R

Q

Q

K

S

L

P

N

N

V

V

F

F

R

R

M

M

Q

K

M

L

L

M

G

G

A

A

N

E

V

V

V

I

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P

A

V

E

H

S

S

G

G

Q

S

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A

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T

L

L

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K

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A

A

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C

D

N

E

E

A

A

L

L

D

R

A

D

W

W

V

S

K

A

D

N

A

Y

E

S

N

K

T

A

F

H

Y

Y

L

L

L

L

G

G

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A

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A

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G

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P

H

H

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P

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L

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P

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D

C

A

C

V

I

I

A

A

C

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

I

G

G

I

M

F

F

S

A

G

D

F

F

V

I

E

D

D

E

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N

V

V

K

K

L

L

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G

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V

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P

P

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K

G

G

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I

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Y

T

G

G

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E

H

H

A

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A

A

S

P

I

L

C

K

L

H

G

G

E

K

P

T

G

G

V

I

M

F

H

F

G

G

F

M

N

K

S

A

Y

P

M

L

L

M

K

Q

D

N

E

S

A

D

G

G

E

Q

P

I

A

E

E
|
E

V
x
S

Y

Y

S

S

I

I

S

S

A

A

G

G

L

L

D
|
D

Y

F

P

P

S

S

V

V

G

G

P

P

E

Q

H

H

A

A

H

H

L

L

K

L

D

A

L

I

G

G

R

R

A

A

E

K

Y

Y

V

A

H

S

A

A

S

T

D

D

K

D

E

E

A

A

V

L

D

D

A

A

F

F

F

K

E

L

L

L

S

C

Q

K

M

K

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

S

H

H

A

A

L

L

A

A

H

H

A

A

L

L

R

K

I

L

A

A

-

Y

-

E

-

D

P

P

N

N

M

-

E

-

K

K

D

E

Q

Q

I

L

I

L

I

V

V

V

N

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

I

A

F

Q

T

I

V

E

H

R

D

M

I

V

L

S

K

E

E

active site: K86 (= K91), E108 (= E113), S376 (= S380)
binding calcium ion: E295 (= E300), S296 (≠ V301), D304 (= D309)

Query Sequence

>WP_018124638.1 NCBI__GCF_000375485.1:WP_018124638.1
MTTTTCDARGFFGEYGGQYVPEPIIPILNTLAEAFEKYRNDPDFIEELHYYLSNYSGRET
PLYHCANLSEKMGGAKIYLKREDLNHLGAHKVNNTIGQILLAKRMGKKKIIAETGAGQHG
VATAATAALMGMECTIHMGAVDVERQKLNVFRMQMLGANVVPAESGQRTLKEAVDEALDA
WVKDAENTFYLLGSAVGPHPYPFMVREFQSVVGREARKQVLKAEGKLPDCCIACVGGGSN
AIGIFSGFVEDEGVKLVGVEPSGRGLEYGEHAASICLGEPGVMHGFNSYMLKDEAGEPAE
VYSISAGLDYPSVGPEHAHLKDLGRAEYVHASDKEAVDAFFELSQMEGIIPALESSHALA
HALRIAPNMEKDQIIIVNLSGRGDKDVAQIERMVSEGCFELPHLRK

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