SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011735213.1 NCBI__GCF_000015045.1:WP_011735213.1 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
74% identity, 96% coverage: 8:389/397 of query aligns to 1:382/383 of 5ey5B

query
sites
5ey5B

G

G

H

R

F

F

G

G

E

K

F

Y

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

M

P

P

A

A

L

L

L

E

E

E

L

L

E

E

Q

E

A

A

Y

Y

K

E

H

R

Y

A

R

K

R

N

D

D

R

P

E

E

F

F

R

Q

E

A

E

E

F

L

E

E

Y

Y

Y

Y

L

L

R

R

Q

D

Y

Y

V

V

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

F

A

A

E

E

K

N

L

L

T

T

E

K

K

D

L

L

G

G

G

G

A

A

R

K

I

I

Y

Y

L

L

K

K

R

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

V

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

M

M

G

G

K

K

Q

K

R

R

V

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

T

T

V

V

A

A

A

A

L

M

F

F

G

G

M

L

Q

E

C

C

E

V

V

V

F

Y

M

M

G

G

E

A

E

E

D

D

T

I

R

E

R

R

Q

Q

A

A

L

L

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

K

V

V

T

R

P

P

V

V

T

T

A

S

G

G

T

S

A

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

M

R

R

N

D

W

W

V

V

T

T

T

N

I

V

K

E

D

D

T

T

F

F

Y

Y

V

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

I

M

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

E

E

E

V

A

K

R

Q

Q

Q

Q

H

I

R

L

R

E

V

K

E

E

G

G

K

R

L

L

P

P

D

D

C

A

L

I

V

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
|
N

A

A

M

M

G

G

L

I

F

F

Y

H

P

P

F

F

L

I

K

D

D

D

K

E

D

S

V

V

R

R

L

L

V

I

G

G

V

V

E

E

A

A

A

A

G

G

Y

K

G

G

I

I

D

E

S

T

G

G

Q

K

H

H

A

A

A

A

T

T

L

L

C

S

A

A

G

G

S

R

P

P

G

G

I

V

L

L

H

H

G

G

N

A

K

M

T

T

Y

Y

L

L

L

L

Q

Q

D

D

E

E

H

D

G

G

Q

Q

I

I

S

I

P

E

A

A

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

H

H

S

A

W

Y

L

L

K

K

D

D

C

T

G

G

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R

A

A

E

E

Y

Y

A

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S

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T

D

D

E

D

E

E

A

A

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A

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L

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R

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T

E

E

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G

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I

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I

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P

A

A

L

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E
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E

S

S

S

S

H

H

A

A

I

V

A

A

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Y

L

A

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K

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L

A

A

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K

D

D

A

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I

I

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V

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C

N

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G

R

R

G

G

D

D

K

K

D

D

I

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H

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T

T

V

V

A

A

binding pyridoxal-5'-phosphate: H81 (= H88), K82 (= K89), Q109 (= Q116), S185 (≠ T192), G227 (= G234), G229 (= G236), S230 (= S237), N231 (= N238), E345 (= E352), S371 (= S378), G372 (= G379)

5dw0A Trpb from pyrococcus furiosus with l-serine bound as the external aldimine (see paper)
65% identity, 97% coverage: 10:393/397 of query aligns to 3:386/388 of 5dw0A

query
sites
5dw0A

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

I

P

E

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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
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H

K
|
K

V

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

M

M

G

G

K

K

Q

T

R

R

V

L

I

I

A

A

E
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E

T
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T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

N

D

W

W

V

V

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

V

A

A

C

C

V

V

G
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G

G

G

G
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G

S
|
S

N
|
N

A

A

M

M

G

G

L

I

F

F

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L

F

H

H

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

E

H

E

G

G

Q

Q

I

I

S

K

P

P

A

T

H

H

S

S

I

I

S

A

A

P

G
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G

L

L

D
|
D

Y

Y

P

P

G

G

V

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

T

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

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E

L

L

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S

R

R

E

T

E

E

G

G

I

I

M

I

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P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

K

K

L

L

A

A

P

K

T

E

M

M

P

S

K

R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

A

L

E

K

A

V

M

S

G

G

active site: K82 (= K89), E104 (= E111), S371 (= S378)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine: H81 (= H88), K82 (= K89), T105 (= T112), G106 (= G113), A107 (= A114), Q109 (= Q116), H110 (= H117), S185 (≠ T192), G227 (= G234), G229 (= G236), S230 (= S237), N231 (= N238), G298 (= G305), D300 (= D307), E345 (= E352), S371 (= S378)

5t6mB Structure of the tryptophan synthase b-subunit from pyroccus furiosus with b-methyltryptophan non-covalently bound (see paper)
65% identity, 97% coverage: 10:393/397 of query aligns to 3:386/386 of 5t6mB

query
sites
5t6mB

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

I

P

E

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

N

D

W

W

V

V

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

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

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L

F

H

H

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

E

H

E

G

G

Q

Q

I

I

S

K

P

P

A

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

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

T

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

L

E

L

L

T

S

R

R

E

T

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

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K

L

L

A

A

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E

M

M

P

S

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R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

A

L

E

K

A

V

M

S

G

G

active site: K82 (= K89), E104 (= E111), S371 (= S378)
binding (betaS)-beta-methyl-L-tryptophan: K82 (= K89), E104 (= E111), T105 (= T112), A107 (= A114), Q109 (= Q116), H110 (= H117), G298 (= G305), Y301 (= Y308)

1v8zA X-ray crystal structure of the tryptophan synthase b2 subunit from hyperthermophile, pyrococcus furiosus (see paper)
65% identity, 97% coverage: 10:393/397 of query aligns to 3:386/386 of 1v8zA

query
sites
1v8zA

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

I

P

E

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

N

D

W

W

V

V

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

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

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L

F

H

H

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

E

H

E

G

G

Q

Q

I

I

S

K

P

P

A

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

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

T

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

L

E

L

L

T

S

R

R

E

T

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

K

K

L

L

A

A

P

K

T

E

M

M

P

S

K

R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S
|
S

G
|
G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

A

L

E

K

A

V

M

S

G

G

active site: K82 (= K89), E104 (= E111), S371 (= S378)
binding pyridoxal-5'-phosphate: H81 (= H88), K82 (= K89), Q109 (= Q116), S185 (≠ T192), G227 (= G234), G228 (= G235), G229 (= G236), S230 (= S237), N231 (= N238), E345 (= E352), S371 (= S378), G372 (= G379)

6am8B Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9 with trp bound as e(aex2) (see paper)
65% identity, 96% coverage: 10:391/397 of query aligns to 3:384/385 of 6am8B

query
sites
6am8B

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P
|
P

E

E

T

T

L

L

M

V

P

G

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L
|
L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M
x
L

R

R

N

D

W

W

V

V

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

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

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L
x
S

H
|
H

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

E

H

E

G

G

Q

Q

I

I

S

K

P

P

A

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

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

A

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

L

E

L

L

T

S

R

R

E

T

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

K

K

L

L

A

A

P

K

T

E

M

M

P

S

K

R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S
|
S

G
|
G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

A

L

E

K

A

A

active site: K82 (= K89), E104 (= E111), S371 (= S378)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane: H81 (= H88), K82 (= K89), E104 (= E111), T105 (= T112), G106 (= G113), A107 (= A114), Q109 (= Q116), H110 (= H117), L161 (= L168), S185 (≠ T192), V187 (≠ A194), G227 (= G234), G228 (= G235), G229 (= G236), S230 (= S237), N231 (= N238), G298 (= G305), Y301 (= Y308), E345 (= E352), S371 (= S378), G372 (= G379)
binding tryptophan: P12 (= P19), L169 (≠ M176), S274 (≠ L281), H275 (= H282)

7rnpA Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9_h275e with 4-cl-trp non-covalently bound (see paper)
65% identity, 96% coverage: 10:391/397 of query aligns to 3:384/384 of 7rnpA

query
sites
7rnpA

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

V

P

G

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L
|
L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

N

D

W

W

V

V

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

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

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L

S

H

E

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

E

H

E

G

G

Q

Q

I

I

S

K

P

P

A

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

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

A

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

L

E

L

L

T

S

R

R

E

T

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

K

K

L

L

A

A

P

K

T

E

M

M

P

S

K

R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S

S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

A

L

E

K

A

A

binding 4-chloro-L-tryptophan: K82 (= K89), E104 (= E111), T105 (= T112), H110 (= H117), L161 (= L168), S185 (≠ T192), V187 (≠ A194), G228 (= G235), Y301 (= Y308)

5dw3A Tryptophan synthase beta-subunit from pyrococcus furiosus with product l-tryptophan non-covalently bound in the active site (see paper)
65% identity, 95% coverage: 10:388/397 of query aligns to 3:380/383 of 5dw3A

query
sites
5dw3A

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

I

P

E

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

N

D

W

W

V

V

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

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

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L

F

H

H

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

E

H

-

G

G

Q

Q

I

I

S

K

P

P

A

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

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

T

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

L

E

L

L

T

S

R

R

E

T

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

K

K

L

L

A

A

P

K

T

E

M

M

P

S

K

R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

active site: K82 (= K89), E104 (= E111), S370 (= S378)
binding tryptophan: K82 (= K89), E104 (= E111), T105 (= T112), G106 (= G113), A107 (= A114), Q109 (= Q116), H110 (= H117), S185 (≠ T192), G228 (= G235), Y300 (= Y308)

6cutA Engineered holo trpb from pyrococcus furiosus, pftrpb7e6 with (2s,3s)- isopropylserine bound as the external aldimine (see paper)
65% identity, 96% coverage: 10:391/397 of query aligns to 3:384/385 of 6cutA

query
sites
6cutA

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

V

P

G

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L

A

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

N

D

W

W

V

E

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

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

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L

L

H

H

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

E

H

E

G

G

Q

Q

I

I

S

K

P

P

A

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

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

T

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

L

E

L

L

T

S

R

R

E

T

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

K

K

L

L

A

A

P

K

T

E

M

M

P

S

K

R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

A

L

E

K

A

A

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 (= H88), K82 (= K89), T105 (= T112), G106 (= G113), A107 (= A114), Q109 (= Q116), H110 (= H117), S185 (≠ T192), G227 (= G234), G229 (= G236), S230 (= S237), N231 (= N238), G298 (= G305), E345 (= E352), S371 (= S378)

5ixjD Tryptophan synthase beta-subunit from pyrococcus furiosus with l- threonine non-covalently bound in the active site (see paper)
65% identity, 97% coverage: 10:393/397 of query aligns to 3:384/394 of 5ixjD

query
sites
5ixjD

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

I

P

E

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

N

D

W

W

V

V

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

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

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L

F

H

H

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

-

H

-

G

G

Q

Q

I

I

S

K

P

P

A

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

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

T

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

L

E

L

L

T

S

R

R

E

T

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

K

K

L

L

A

A

P

K

T

E

M

M

P

S

K

R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

A

L

E

K

A

V

M

S

G

G

active site: K82 (= K89), E104 (= E111), S369 (= S378)
binding threonine: T105 (= T112), G106 (= G113), Q109 (= Q116), H110 (= H117), D298 (= D307)

6cuzA Engineered trpb from pyrococcus furiosus, pftrpb7e6 with (2s,3r)- ethylserine bound as the amino-acrylate (see paper)
65% identity, 95% coverage: 10:388/397 of query aligns to 3:381/383 of 6cuzA

query
sites
6cuzA

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

V

P

G

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L

A

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

N

D

W

W

V

E

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

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

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L

L

H

H

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

E

H

E

G

G

Q

Q

I

I

S

K

P

P

A

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

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

T

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

L

E

L

L

T

S

R

R

E

T

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

K

K

L

L

A

A

P

K

T

E

M

M

P

S

K

R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

binding (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid: H81 (= H88), K82 (= K89), T105 (= T112), G106 (= G113), A107 (= A114), Q109 (= Q116), H110 (= H117), S185 (≠ T192), G227 (= G234), G229 (= G236), S230 (= S237), N231 (= N238), G298 (= G305), E345 (= E352), S371 (= S378)

5t6mA Structure of the tryptophan synthase b-subunit from pyroccus furiosus with b-methyltryptophan non-covalently bound (see paper)
65% identity, 95% coverage: 10:388/397 of query aligns to 3:379/383 of 5t6mA

query
sites
5t6mA

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

I

P

E

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

N

D

W

W

V

V

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

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

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L

F

H

H

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

-

H

-

G

G

Q

Q

I

I

S

K

P

P

A

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

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

T

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

L

E

L

L

T

S

R

R

E

T

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

K

K

L

L

A

A

P

K

T

E

M

M

P

S

K

R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

active site: K82 (= K89), E104 (= E111), S369 (= S378)
binding phosphate ion: K82 (= K89), T105 (= T112), G106 (= G113), A107 (= A114), Q109 (= Q116), H110 (= H117)

5vm5D Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9, with ser bound (see paper)
65% identity, 96% coverage: 10:391/397 of query aligns to 3:382/383 of 5vm5D

query
sites
5vm5D

F

F

G

G

E

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

T

L

L

M

V

P

G

A

P

L

L

L

K

E

E

L

L

E

E

Q

K

A

A

Y

Y

K

K

H

R

Y

F

R

K

R

D

D

D

R

E

E

E

F

F

R

N

E

R

E

Q

F

L

E

N

Y

Y

Y

Y

L

L

R

K

Q

T

Y

W

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

K

R

L

L

T

T

E

E

K

K

L

I

G

G

G

G

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

M

V

A

A

G

A

A

L

L

F

L

G

G

M

M

Q

K

C

V

E

D

V

I

F

Y

M

M

G

G

E

A

E

E

D

D

T

V

R

E

R

R

Q

Q

A

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

N

V

V

T

I

P

P

V

V

T

N

A

S

G

G

T

S

A

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

N

D

W

W

V

V

T

A

T

T

I

F

K

E

D

Y

T

T

F

H

Y

Y

V

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

I

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

K

R

E

E

V

A

K

K

Q

A

Q

Q

H

I

R

L

R

E

V

A

E

E

G

G

K

Q

L

L

P

P

D

D

C

V

L

I

V

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

Y

Y

P

P

F

F

L

V

K

N

D

D

K

K

D

K

V

V

R

K

L

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

Y

K

G

G

I

L

D

E

S

S

G

G

Q

K

H

H

A

S

A

A

T

S

L

L

C

N

A

A

G

G

S

Q

P

V

G

G

I

V

L

S

H

H

G

G

N

M

K

L

T

S

Y

Y

L

F

L

L

Q

Q

D

D

E

-

H

-

G

G

Q

Q

I

I

S

K

P

P

A

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

H

H

S

A

W

Y

L

L

K

K

D

K

C

I

G

Q

R

R

A

A

E

E

Y

Y

A

V

S

A

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

K

G

A

F

F

R

H

L

E

L

L

T

S

R

R

E

T

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

I

V

A

A

H

Y

L

A

V

M

K

K

L

L

A

A

P

K

T

E

M

M

P

S

K

R

D

D

A

E

S

I

I

I

V

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

D

T

I

V

V

A

L

E

K

A

A

active site: K82 (= K89), E104 (= E111), S369 (= S378)
binding 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid: H81 (= H88), K82 (= K89), T105 (= T112), G106 (= G113), A107 (= A114), Q109 (= Q116), H110 (= H117), S185 (≠ T192), G227 (= G234), G229 (= G236), S230 (= S237), N231 (= N238), G296 (= G305), E343 (= E352), S369 (= S378)

8vhhA Engineered holo tryptophan synthase (tm9d8 ) Derived from t. Maritima trpb (see paper)
63% identity, 96% coverage: 7:388/397 of query aligns to 1:377/389 of 8vhhA

query
sites
8vhhA

K

K

G

G

H

Y

F

F

G

G

E

P

F

Y

G

G

G

G

R

Q

Y

Y

V

V

P

P

E

E

T

I

L

L

M

M

P

G

A

A

L

L

L

E

E

E

L

L

E

E

Q

A

A

A

Y

Y

K

E

H

G

Y

I

R

M

R

K

D

D

R

E

E

S

F

F

R

W

E

K

E

E

F

F

E

N

Y

D

Y

L

L

L

R

R

Q

D

Y

Y

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

F

A

A

E

R

K

R

L

L

T

S

E

E

K

K

L

Y

G

G

G

-

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

T

V

A

A

A

A

A

L

L

F

F

G

G

M

M

Q

E

C

C

E

V

V

I

F

Y

M

M

G

G

E

E

E

E

D

D

T

T

R

I

R

R

Q

Q

A

K

L

L

N

N

V

V

F

E

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

K

V

V

T

V

P

P

V

V

T

K

A

S

G

G

T

S

A

R

T

T

L

L

K

K

D

D

A

A

M

I

N

D

E

E

A

A

M

L

R

R

N

D

W

W

V

I

T

T

T

N

I

L

K

Q

D

T

T

T

F

Y

Y

Y

V

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

I

I

V

V

R

R

D

N

F

F

Q

Q

S

K

V

V

I

I

G

G

K

E

E

E

V

T

K

K

Q

K

Q

Q

H

I

R

P

R

E

V

K

E

E

G

G

K

R

L

L

P

P

D

D

C

Y

L

I

V

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

Y

Y

P

P

F

F

L

I

K

-

D

D

K

S

D

G

V

V

R

K

L

L

V

I

G

G

V

V

E

E

A

A

A

G

G

G

Y

E

G

G

I

L

D

E

S

T

G

G

Q

K

H

H

A

A

A

A

T

S

L

L

C

L

A

K

G

G

S

K

P

I

G

G

I

Y

L

L

H

H

G

G

N

S

K

K

T

T

Y

F

L

V

L

L

Q

Q

D

D

E

D

H

W

G

G

Q

Q

I

V

S

Q

P

V

A

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

H

H

S

A

W

Y

L

W

K

R

D

E

C

T

G

G

R

K

A

V

E

L

Y

Y

A

D

S

A

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

D

G

A

F

F

R

I

L

E

L

L

T

S

R

R

E

L

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E
|
E

S

S

S

S

H

H

A

A

I

L

A

A

H

Y

L

L

V

K

K

K

L

I

A

N

P

-

T

-

M

-

P

I

K

K

D

G

A

K

S

V

I

V

V

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

E

T

S

V

V

binding pyridoxal-5'-phosphate: H81 (= H88), K82 (= K89), Q109 (= Q116), S185 (≠ T192), G228 (= G235), G229 (= G236), S230 (= S237), N231 (= N238), G297 (= G305), E344 (= E352), S367 (= S378)

6u6cB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk2-bound form (see paper)
59% identity, 98% coverage: 4:394/397 of query aligns to 10:403/405 of 6u6cB

query
sites
6u6cB

P

P

D

D

K

S

K

G

G

G

H

H

F

F

G

G

E

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y
|
Y

V

V

P

P

E

E

T

A

L

L

M

M

P

A

A

V

L

I

L

E

E

E

L

V

E

T

Q

A

A

A

Y

Y

K

Q

H

K

Y

E

R

R

R

V

D

S

R

Q

E

D

F

F

R

L

E

D

E

D

F

L

E

D

Y

R

Y

L

L

Q

R

A

Q

N

Y

Y

V

A

G

G

R

R

P

P

N

S

P

P

L

L

Y

Y

F

E

A

A

E

T

K

R

L

L

T

S

E

Q

K

H

L

A

G

G

G

S

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

T

V

A

A

C

A

A

L

L

F

L

G

G

M

L

Q

D

C

C

E

V

V

I

F

Y

M

M

G

G

E

G

E

I

D

D

T

T

R

A

R

R

Q

Q

A

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

T

E

V

V

T

V

P

A

V

V

T

Q

A

T

G

G

T

S

A

K

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M
x
F

R

R

N

D

W
|
W

V

V

T

A

T

N

I

A

K

D

D

N

T

T

F

Y

Y
|
Y

V

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

I

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

K

M

E

E

V

A

K

R

Q

V

Q

Q

H

I

R

Q

R

G

V

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

L

V

V

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

Y

H

P

A

F

F

L

L

K

D

D

D

K

P

D

G

V

V

R

R

L

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

Y

D

G

G

I

V

D

E

S

T

G

G

Q

R

H

H

A

A

A

A

T

T

L

F

C

T

A

A

G

G

S

S

P

P

G

G

I

A

L

F

H
|
H

G
|
G

N

S

K

F

T

S

Y

Y

L

L

L

L

Q

Q

D

D

E

E

H

D

G

G

Q

Q

I

T

S

I

P

E

A

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

H

H

S

A

W

W

L

L

K

K

D

E

C

A

G

G

R

R

A

V

E

D

Y

Y

A

R

S

P

V

I

T

T

D

D

E

S

E

E

A

A

L

M

E

D

G

A

F

F

R

G

L

L

L

L

T

C

R

R

E

M

E

E

G

G

I

I

M

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

I

V

A

A

H

G

L

A

V

L

K

K

L

L

A

G

P

V

T

E

M

L

P

G

K

R

D

G

A

A

S

V

I

I

V

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

H

E

T

T

V

A

A

A

E

K

A

W

M

F

G

G

I

L

active site: K98 (= K89), E120 (= E111), S387 (= S378)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H97 (= H88), K98 (= K89), T121 (= T112), G122 (= G113), A123 (= A114), Q125 (= Q116), H126 (= H117), T201 (= T192), G243 (= G234), G245 (= G236), S246 (= S237), N247 (= N238), G314 (= G305), E361 (= E352), S387 (= S378)
binding 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide: Y26 (= Y17), F185 (≠ M176), W188 (= W179), Y197 (= Y188), F199 (≠ I190), G204 (= G195), P205 (= P196), H291 (= H282), G292 (= G283)

5tciH Crystal structure of tryptophan synthase from m. Tuberculosis - brd4592-bound form (see paper)
59% identity, 98% coverage: 4:394/397 of query aligns to 10:403/406 of 5tciH

query
sites
5tciH

P

P

D

D

K

S

K

G

G

G

H

H

F

F

G

G

E

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y

Y

V

V

P
|
P

E

E

T

A

L
|
L

M

M

P

A

A

V

L

I

L

E

E

E

L

V

E

T

Q

A

A

A

Y

Y

K

Q

H

K

Y

E

R

R

R

V

D

S

R

Q

E

D

F

F

R

L

E

D

E

D

F

L

E

D

Y

R

Y

L

L

Q

R

A

Q

N

Y

Y

V

A

G

G

R

R

P

P

N

S

P

P

L

L

Y

Y

F

E

A

A

E

T

K

R

L

L

T

S

E

Q

K

H

L

A

G

G

G

S

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

T

V

A

A

C

A

A

L

L

F

L

G

G

M

L

Q

D

C

C

E

V

V

I

F

Y

M

M

G

G

E

G

E

I

D

D

T

T

R

A

R

R

Q

Q

A

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

T

E

V

V

T

V

P

A

V

V

T

Q

A

T

G

G

T

S

A

K

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

F

R

R

N

D

W

W

V

V

T

A

T

N

I

A

K

D

D

N

T

T

F

Y

Y
|
Y

V

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

I

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

K

M

E

E

V

A

K

R

Q

V

Q

Q

H

I

R

Q

R

G

V

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

L

V

V

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

Y

H

P

A

F

F

L

L

K

D

D

D

K

P

D

G

V

V

R

R

L

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

Y

D

G

G

I

V

D

E

S

T

G

G

Q

R

H

H

A

A

A

A

T

T

L

F

C

T

A

A

G

G

S

S

P

P

G

G

I

A

L

F

H
|
H

G

G

N

S

K

F

T

S

Y

Y

L

L

L

L

Q

Q

D

D

E

E

H

D

G

G

Q

Q

I

T

S

I

P

E

A

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

H

H

S

A

W

W

L

L

K

K

D

E

C

A

G

G

R

R

A

V

E

D

Y

Y

A

R

S

P

V

I

T

T

D

D

E

S

E

E

A

A

L

M

E

D

G

A

F

F

R

G

L

L

L

L

T

C

R

R

E

M

E

E

G

G

I

I

M

I

P

P

A

A

L

I

E

E

S

S

S

A

H

H

A

A

I

V

A

A

H

G

L

A

V

L

K

K

L

L

A

G

P

V

T

E

M

L

P

G

K

R

D

G

A

A

S

V

I

I

V

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

H

E

T

T

V

A

A

A

E

K

A

W

M

F

G

G

I

L

active site: K98 (= K89), E120 (= E111), S387 (= S378)
binding (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile: P28 (= P19), L31 (= L22), Y197 (= Y188), F199 (≠ I190), P205 (= P196), F208 (≠ Y199), H291 (= H282)

6usaB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk1-bound form (see paper)
59% identity, 98% coverage: 4:394/397 of query aligns to 9:402/404 of 6usaB

query
sites
6usaB

P

P

D

D

K

S

K

G

G

G

H

H

F

F

G

G

E

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y

Y

V

V

P

P

E

E

T

A

L

L

M

M

P

A

A

V

L

I

L

E

E

E

L

V

E

T

Q

A

A

A

Y

Y

K

Q

H

K

Y

E

R

R

R

V

D

S

R

Q

E

D

F

F

R

L

E

D

E

D

F

L

E

D

Y

R

Y

L

L

Q

R

A

Q

N

Y

Y

V

A

G

G

R

R

P

P

N

S

P

P

L

L

Y

Y

F

E

A

A

E

T

K

R

L

L

T

S

E

Q

K

H

L

A

G

G

G

S

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

T

V

A

A

C

A

A

L

L

F

L

G

G

M

L

Q

D

C

C

E

V

V

I

F

Y

M

M

G

G

E

G

E

I

D

D

T

T

R

A

R

R

Q

Q

A

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

T

E

V

V

T

V

P

A

V

V

T

Q

A

T

G

G

T

S

A

K

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M
x
F

R

R

N

D

W
|
W

V

V

T

A

T

N

I

A

K

D

D

N

T

T

F

Y

Y
|
Y

V

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

I

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

K

M

E

E

V

A

K

R

Q

V

Q

Q

H

I

R

Q

R

G

V

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

L

V

V

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

Y

H

P

A

F

F

L

L

K

D

D

D

K

P

D

G

V

V

R

R

L

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

Y

D

G

G

I

V

D

E

S

T

G

G

Q

R

H

H

A

A

A

A

T

T

L

F

C

T

A

A

G

G

S

S

P

P

G

G

I

A

L

F

H
|
H

G
|
G

N

S

K

F

T

S

Y

Y

L

L

L

L

Q

Q

D

D

E

E

H

D

G

G

Q

Q

I

T

S

I

P

E

A

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

H

H

S

A

W

W

L

L

K

K

D

E

C

A

G

G

R

R

A

V

E

D

Y

Y

A

R

S

P

V

I

T

T

D

D

E

S

E

E

A

A

L

M

E

D

G

A

F

F

R

G

L

L

L

L

T

C

R

R

E

M

E

E

G

G

I

I

M

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

I

V

A

A

H

G

L

A

V

L

K

K

L

L

A

G

P

V

T

E

M

L

P

G

K

R

D

G

A

A

S

V

I

I

V

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

H

E

T

T

V

A

A

A

E

K

A

W

M

F

G

G

I

L

active site: K97 (= K89), E119 (= E111), S386 (= S378)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H96 (= H88), K97 (= K89), T120 (= T112), G121 (= G113), A122 (= A114), G123 (= G115), Q124 (= Q116), H125 (= H117), T200 (= T192), G242 (= G234), G244 (= G236), S245 (= S237), N246 (= N238), G313 (= G305), E360 (= E352), S386 (= S378)
binding (3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol: F184 (≠ M176), W187 (= W179), Y196 (= Y188), F198 (≠ I190), G203 (= G195), P204 (= P196), F207 (≠ Y199), H290 (= H282), G291 (= G283)

6dweB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and brd0059-bound form
59% identity, 98% coverage: 4:394/397 of query aligns to 9:402/404 of 6dweB

query
sites
6dweB

P

P

D

D

K

S

K

G

G

G

H

H

F

F

G

G

E

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y

Y

V

V

P

P

E

E

T

A

L

L

M

M

P

A

A

V

L

I

L

E

E

E

L

V

E

T

Q

A

A

A

Y

Y

K

Q

H

K

Y

E

R

R

R

V

D

S

R

Q

E

D

F

F

R

L

E

D

E

D

F

L

E

D

Y

R

Y

L

L

Q

R

A

Q

N

Y

Y

V

A

G

G

R

R

P

P

N

S

P

P

L

L

Y

Y

F

E

A

A

E

T

K

R

L

L

T

S

E

Q

K

H

L

A

G

G

G

S

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

T

V

A

A

C

A

A

L

L

F

L

G

G

M

L

Q

D

C

C

E

V

V

I

F

Y

M

M

G

G

E

G

E

I

D

D

T

T

R

A

R

R

Q

Q

A

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

T

E

V

V

T

V

P

A

V

V

T

Q

A

T

G

G

T

S

A

K

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M
x
F

R

R

N

D

W

W

V

V

T

A

T

N

I

A

K

D

D

N

T

T

F

Y

Y
|
Y

V

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

I

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

K

M

E

E

V

A

K

R

Q

V

Q

Q

H

I

R

Q

R

G

V

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

L

V

V

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

Y

H

P

A

F

F

L

L

K

D

D

D

K

P

D

G

V

V

R

R

L

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

Y

D

G

G

I

V

D

E

S

T

G

G

Q

R

H

H

A

A

A

A

T

T

L

F

C

T

A

A

G

G

S

S

P

P

G

G

I

A

L

F

H
|
H

G

G

N

S

K

F

T

S

Y

Y

L

L

L

L

Q

Q

D

D

E

E

H

D

G

G

Q

Q

I

T

S

I

P

E

A

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

H

H

S

A

W

W

L

L

K

K

D

E

C

A

G

G

R

R

A

V

E

D

Y

Y

A

R

S

P

V

I

T

T

D

D

E

S

E

E

A

A

L

M

E

D

G

A

F

F

R

G

L

L

L

L

T

C

R

R

E

M

E

E

G

G

I

I

M

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

I

V

A

A

H

G

L

A

V

L

K

K

L

L

A

G

P

V

T

E

M

L

P

G

K

R

D

G

A

A

S

V

I

I

V

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

H

E

T

T

V

A

A

A

E

K

A

W

M

F

G

G

I

L

active site: K97 (= K89), E119 (= E111), S386 (= S378)
binding (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: F184 (≠ M176), Y196 (= Y188), F198 (≠ I190), P204 (= P196), F207 (≠ Y199), H290 (= H282)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H96 (= H88), K97 (= K89), T120 (= T112), G121 (= G113), A122 (= A114), G123 (= G115), Q124 (= Q116), H125 (= H117), T200 (= T192), G242 (= G234), G244 (= G236), S245 (= S237), N246 (= N238), G313 (= G305), E360 (= E352), S386 (= S378)

5ocwB Structure of mycobacterium tuberculosis tryptophan synthase in space group f222 (see paper)
59% identity, 98% coverage: 4:394/397 of query aligns to 5:398/399 of 5ocwB

query
sites
5ocwB

P

P

D

D

K

S

K

G

G

G

H

H

F

F

G

G

E

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y

Y

V

V

P

P

E

E

T

A

L

L

M

M

P

A

A

V

L

I

L

E

E

E

L

V

E

T

Q

A

A

A

Y

Y

K

Q

H

K

Y

E

R

R

R

V

D

S

R

Q

E

D

F

F

R

L

E

D

E

D

F

L

E

D

Y

R

Y

L

L

Q

R

A

Q

N

Y

Y

V

A

G

G

R

R

P

P

N

S

P

P

L

L

Y

Y

F

E

A

A

E

T

K

R

L

L

T

S

E

Q

K

H

L

A

G

G

G

S

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

T

V

A

A

C

A

A

L

L

F

L

G

G

M

L

Q

D

C

C

E

V

V

I

F

Y

M

M

G

G

E

G

E

I

D

D

T

T

R

A

R

R

Q

Q

A

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

T

E

V

V

T

V

P

A

V

V

T

Q

A

T

G

G

T

S

A

K

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

F

R

R

N

D

W

W

V

V

T

A

T

N

I

A

K

D

D

N

T

T

F

Y

Y

Y

V

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

I

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

K

M

E

E

V

A

K

R

Q

V

Q

Q

H

I

R

Q

R

G

V

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

L

V

V

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

Y

H

P

A

F

F

L

L

K

D

D

D

K

P

D

G

V

V

R

R

L

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

Y

D

G

G

I

V

D

E

S

T

G

G

Q

R

H

H

A

A

A

A

T

T

L

F

C

T

A

A

G

G

S

S

P

P

G

G

I

A

L

F

H

H

G

G

N

S

K

F

T

S

Y

Y

L

L

L

L

Q

Q

D

D

E

E

H

D

G

G

Q

Q

I

T

S

I

P

E

A

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

H

H

S

A

W

W

L

L

K

K

D

E

C

A

G

G

R

R

A

V

E

D

Y

Y

A

R

S

P

V

I

T

T

D

D

E

S

E

E

A

A

L

M

E

D

G

A

F

F

R

G

L

L

L

L

T

C

R

R

E

M

E

E

G

G

I

I

M

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

I

V

A

A

H

G

L

A

V

L

K

K

L

L

A

G

P

V

T

E

M

L

P

G

K

R

D

G

A

A

S

V

I

I

V

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

H

E

T

T

V

A

A

A

E

K

A

W

M

F

G

G

I

L

active site: K93 (= K89), E115 (= E111), S382 (= S378)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H92 (= H88), K93 (= K89), T116 (= T112), G117 (= G113), A118 (= A114), Q120 (= Q116), H121 (= H117), T196 (= T192), G238 (= G234), G240 (= G236), S241 (= S237), N242 (= N238), G309 (= G305), E356 (= E352), S382 (= S378)

6uapB Crystal structure of tryptophan synthase from m. Tuberculosis - open form with brd6309 bound
59% identity, 98% coverage: 4:394/397 of query aligns to 9:402/405 of 6uapB

query
sites
6uapB

P

P

D

D

K

S

K

G

G

G

H

H

F

F

G

G

E

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y

Y

V

V

P

P

E

E

T

A

L

L

M

M

P

A

A

V

L

I

L

E

E

E

L

V

E

T

Q

A

A

A

Y

Y

K

Q

H

K

Y

E

R

R

R

V

D

S

R

Q

E

D

F

F

R

L

E

D

E

D

F

L

E

D

Y

R

Y

L

L

Q

R

A

Q

N

Y

Y

V

A

G

G

R

R

P

P

N

S

P

P

L

L

Y

Y

F

E

A

A

E

T

K

R

L

L

T

S

E

Q

K

H

L

A

G

G

G

S

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

T

V

A

A

C

A

A

L

L

F

L

G

G

M

L

Q

D

C

C

E

V

V

I

F

Y

M

M

G

G

E

G

E

I

D

D

T

T

R

A

R

R

Q

Q

A

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

T

E

V

V

T

V

P

A

V

V

T

Q

A

T

G

G

T

S

A

K

T

T

L

L

K

K

D

D

A

A

M
x
I

N
|
N

E

E

A

A

M
x
F

R

R

N

D

W

W

V

V

T

A

T

N

I

A

K

D

D

N

T

T

F

Y

Y
|
Y

V

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

I

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

K

M

E

E

V

A

K

R

Q

V

Q

Q

H

I

R

Q

R

G

V

Q

E

A

G

G

K

R

L

L

P

P

D

D

C

A

L

V

V

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

Y

H

P

A

F

F

L

L

K

D

D

D

K

P

D

G

V

V

R

R

L

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

Y

D

G

G

I

V

D

E

S

T

G

G

Q

R

H

H

A

A

A

A

T

T

L

F

C

T

A

A

G

G

S

S

P

P

G

G

I

A

L

F

H
|
H

G

G

N

S

K

F

T

S

Y

Y

L

L

L

L

Q

Q

D

D

E

E

H

D

G

G

Q

Q

I

T

S

I

P

E

A

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

H

H

S

A

W

W

L

L

K

K

D

E

C

A

G

G

R

R

A

V

E

D

Y

Y

A

R

S

P

V

I

T

T

D

D

E

S

E

E

A

A

L

M

E

D

G

A

F

F

R

G

L

L

L

L

T

C

R

R

E

M

E

E

G

G

I

I

M

I

P

P

A

A

L

I

E

E

S

S

S

A

H

H

A

A

I

V

A

A

H

G

L

A

V

L

K

K

L

L

A

G

P

V

T

E

M

L

P

G

K

R

D

G

A

A

S

V

I

I

V

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

H

E

T

T

V

A

A

A

E

K

A

W

M

F

G

G

I

L

active site: K97 (= K89), E119 (= E111), S386 (= S378)
binding (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: I180 (≠ M172), N181 (= N173), F184 (≠ M176), Y196 (= Y188), F198 (≠ I190), P204 (= P196), F207 (≠ Y199), H290 (= H282)

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)
62% identity, 96% coverage: 8:388/397 of query aligns to 1:376/383 of 8eh1A

query
sites
8eh1A

G

G

H

N

F

F

G

G

E

P

F

Y

G

G

G

G

R

Q

Y

N

V

V

P

P

E

E

T

I

L

L

M

M

P

G

A

A

L

L

L

E

E

E

L

L

E

E

Q

A

A

A

Y

Y

K

E

H

G

Y

I

R

M

R

K

D

D

R

E

E

S

F

F

R

W

E

K

E

E

F

Y

E

N

Y

D

Y

L

L

L

R

R

Q

D

Y

Y

V

A

G

G

R

R

P

P

N

T

P

P

L

L

Y

Y

F

F

A

A

E

R

K

R

L

L

T

S

E

E

K

K

L

Y

G

G

G

-

A

A

R

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

V

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

M

M

G

G

K

K

Q

T

R

R

V

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

T

T

A

A

T

T

V

A

A

A

A

A

L

L

F

F

G

G

M

M

Q

E

C

C

E

V

V

I

F

Y

M

M

G

G

E

E

E

E

D

D

T

T

R

I

R

R

Q

Q

A

K

L

L

N

N

V

V

F

E

R

R

M

M

K

K

L

L

L

L

G

G

A

A

T

K

V

V

T

V

P

P

V

V

T

K

A

S

G

G

T

S

A

R

T

T

L
|
L

K

K

D

D

A

A

M
x
I

N

D

E

E

A

A

M

L

R

R

N

D

W

W

V

I

T

T

T

N

I

L

K

Q

D

T

T

T

F

Y

Y

Y

V

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

I

I

V

V

R

R

D

N

F

F

Q

Q

S

K

V

V

I

I

G

G

K

E

E

E

V

T

K

K

Q

K

Q

Q

H

I

R

P

R

E

V

K

E

E

G

G

K

R

L

L

P

P

D

D

C

Y

L

I

V

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

Y

Y

P

P

F

F

L

I

K

-

D

D

K

S

D

G

V

V

R

K

L

L

V

I

G

G

V

V

E

E

A

A

A

G

G

G

Y

E

G

G

I

L

D

E

S

T

G

G

Q

K

H

H

A

A

A

A

T

S

L

L

C

L

A

K

G

G

S

K

P

I

G

G

I

Y

L

L

H

H

G

G

N

S

K

K

T

T

Y

F

L

V

L

L

Q

Q

D

D

E

D

H

W

G

G

Q

Q

I

V

S

Q

P

A

A

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

H

H

S

A

W

Y

L

W

K

R

D

E

C

T

G

G

R

K

A

V

E

L

Y

Y

A

D

S

A

V

V

T

T

D

D

E

E

E

E

A

A

L

L

E

D

G

A

F

F

R

I

L

E

L

L

T

S

R

R

E

L

E

E

G

G

I

I

M

I

P

P

A

A

L

L

E
|
E

S

S

S

S

H

H

A

A

I

L

A

A

H

Y

L

L

V

K

K

K

L

I

A

N

P

-

T

-

M

-

P

I

K

K

D

G

A

K

S

V

I

V

V

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

H

E

T

S

V

V

binding 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid: H80 (= H88), K81 (= K89), T104 (= T112), G105 (= G113), A106 (= A114), Q108 (= Q116), H109 (= H117), S184 (≠ T192), G228 (= G236), S229 (= S237), N230 (= N238), G296 (= G305), E343 (= E352), S366 (= S378)
binding quinolin-4-ol: G103 (≠ E111), L160 (= L168), I164 (≠ M172), G183 (= G191), S184 (≠ T192), Y299 (= Y308)

Query Sequence

>WP_011735213.1 NCBI__GCF_000015045.1:WP_011735213.1
MNLPDKKGHFGEFGGRYVPETLMPALLELEQAYKHYRRDREFREEFEYYLRQYVGRPNPL
YFAEKLTEKLGGARIYLKREDLNHTGAHKVNNTIGQALLAKRMGKQRVIAETGAGQHGVA
TATVAALFGMQCEVFMGEEDTRRQALNVFRMKLLGATVTPVTAGTATLKDAMNEAMRNWV
TTIKDTFYVIGTVAGPHPYPMIVRDFQSVIGKEVKQQHRRVEGKLPDCLVACVGGGSNAM
GLFYPFLKDKDVRLVGVEAAGYGIDSGQHAATLCAGSPGILHGNKTYLLQDEHGQISPAH
SISAGLDYPGVGPEHSWLKDCGRAEYASVTDEEALEGFRLLTREEGIMPALESSHAIAHL
VKLAPTMPKDASIVVCLSGRGDKDIHTVAEAMGISFA

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