SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013841408.1 NCBI__GCF_000215085.1:WP_013841408.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

5ey5B Lbcats
71% identity, 97% coverage: 7:389/396 of query aligns to 1:383/383 of 5ey5B

query
sites
5ey5B

G

G

Y

R

F

F

G

G

S

K

Y

Y

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

M

P

P

A

A

L

L

E

E

E

E

L

L

T

E

K

E

A

A

Y

Y

Q

E

Q

R

A

A

Q

K

Q

N

D

D

G

P

N

E

F

F

Q

Q

R

A

E

E

V

L

E

E

H

Y

Y

Y

L

L

K

R

N

D

Y

Y

V

V

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

F

A

A

R

E

G

N

L

L

S

T

E

K

K

D

M

L

G

G

G

G

A

A

R

K

I

I

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

A

H
|
H

K
|
K

I

I

N

N

N

N

T

A

L

L

G

G

Q

Q

V

A

L

L

L

L

A

A

R

K

R

R

M

M

G

G

K

K

K

K

R

R

I

V

I

I

A

A

E

E

T

T

G

G

A

A

G

G

Q
|
Q

H

H

G

G

V

V

A

A

T

T

A

A

T

T

A

V

A

A

A

A

M

M

F

F

G

G

L

L

Q

E

C

C

V

V

V

V

Y

Y

M

M

G

G

E

A

E

E

D

D

I

I

R

E

R

R

Q

Q

S

A

L

L

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

K

V

V

V

R

E

P

V

V

S

T

S

S

G

G

T

S

G

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

M

R

R

D

D

W

W

V

V

T

T

N

N

V

V

R

E

N

D

T

T

Y

F

Y

Y

I

I

I

I

G

G

S
|
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

M

M

M

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

E

E

E

A

A

R

R

E

Q

Q

Q

M

I

L

L

E

E

Q

K

S

E

G

G

G

R

L

L

P

P

H

D

C

A

V

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

A

I

F

F

Y

H

A

P

F

F

L

I

E

D

D

D

R

E

E

S

V

V

E

R

L

L

V

I

G

G

V

V

E

E

A

A

G

A

G

G

L

K

G

G

L

I

D

E

T

T

D

G

R

K

H

H

A

A

A

A

P

T

L

L

T

S

A

A

G

G

R

R

P

P

G

G

V

V

L

L

H

H

G

G

S

A

Y

M

S

T

Y

Y

L

L

I

L

Q

Q

D

D

G

E

D

D

G

G

Q

Q

V

I

T

I

P

E

V

A

H

H

S

S

V

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

Y

Y

L

L

K

K

D

D

T

T

G

G

R

R

V

A

S

E

Y

Y

T

V

V

S

A

V

T

T

D

D

R

D

E

E

A

A

L

L

N

E

A

A

F

F

H

Q

L

L

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

A

S

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

P

R

E

M

L

S

S

K

K

E

D

R

Q

S

I

I

I

L

V

V

V

C

N

L

L

S
|
S

G
|
G

R

R

G

G

D

D

K

K

D

D

V

V

H

N

T

T

V

V

A

A

K

R

binding pyridoxal-5'-phosphate: H81 (= H87), K82 (= K88), Q109 (= Q115), S185 (= S191), G227 (= G233), G229 (= G235), S230 (= S236), N231 (= N237), E345 (= E351), S371 (= S377), G372 (= G378)

5dw0A Trpb from pyrococcus furiosus with l-serine bound as the external aldimine (see paper)
62% identity, 97% coverage: 8:392/396 of query aligns to 2:386/388 of 5dw0A

query
sites
5dw0A

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

I

P

E

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

I

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

L

L

L

A

A

R

K

R

F

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S
|
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L

F

H

H

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

D

G

E

D

E

G

G

Q

Q

V

I

T

K

P

P

V

T

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

T

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

E

V

M

S

G

G

active site: K82 (= K88), E104 (= E110), S371 (= S377)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine: H81 (= H87), K82 (= K88), T105 (= T111), G106 (= G112), A107 (= A113), Q109 (= Q115), H110 (= H116), S185 (= S191), G227 (= G233), G229 (= G235), S230 (= S236), N231 (= N237), G298 (= G304), D300 (= D306), E345 (= E351), S371 (= S377)

5t6mB Structure of the tryptophan synthase b-subunit from pyroccus furiosus with b-methyltryptophan non-covalently bound (see paper)
62% identity, 97% coverage: 8:392/396 of query aligns to 2:386/386 of 5t6mB

query
sites
5t6mB

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

I

P

E

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

I

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

L

L

L

A

A

R

K

R

F

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G

G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S

S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L

F

H

H

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

D

G

E

D

E

G

G

Q

Q

V

I

T

K

P

P

V

T

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

T

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

E

V

M

S

G

G

active site: K82 (= K88), E104 (= E110), S371 (= S377)
binding (betaS)-beta-methyl-L-tryptophan: K82 (= K88), E104 (= E110), T105 (= T111), A107 (= A113), Q109 (= Q115), H110 (= H116), G298 (= G304), Y301 (= Y307)

1v8zA X-ray crystal structure of the tryptophan synthase b2 subunit from hyperthermophile, pyrococcus furiosus (see paper)
62% identity, 97% coverage: 8:392/396 of query aligns to 2:386/386 of 1v8zA

query
sites
1v8zA

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

I

P

E

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

I

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

L

L

L

A

A

R

K

R

F

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E
|
E

T

T

G

G

A

A

G

G

Q
|
Q

H

H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S
|
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L

F

H

H

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

D

G

E

D

E

G

G

Q

Q

V

I

T

K

P

P

V

T

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

T

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S
|
S

G
|
G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

E

V

M

S

G

G

active site: K82 (= K88), E104 (= E110), S371 (= S377)
binding pyridoxal-5'-phosphate: H81 (= H87), K82 (= K88), Q109 (= Q115), S185 (= S191), G227 (= G233), G228 (= G234), G229 (= G235), S230 (= S236), N231 (= N237), E345 (= E351), S371 (= S377), G372 (= G378)

6usaB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk1-bound form (see paper)
63% identity, 99% coverage: 3:393/396 of query aligns to 9:402/404 of 6usaB

query
sites
6usaB

P

P

D

D

N

S

R

G

G

G

Y

H

F

F

G

G

S

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F

Y

V

V

P

P

E

E

T

A

L

L

I

M

P

A

A

V

L

I

E

E

E

E

L

V

T

T

K

A

A

A

Y

Y

Q

Q

Q

K

A

E

Q

R

Q

V

D

S

G

Q

N

D

F

F

Q

L

R

D

E

D

V

L

E

D

H

R

Y

L

L

Q

K

A

N

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

V

L

Y

Y

L

E

A

A

R

T

G

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

R

R

I

I

W

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

T

V

L

L

G

G

Q

Q

V

A

L

L

L

L

A

A

R

R

R

R

M

M

G

G

K

K

K

T

R

R

I

V

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G
|
G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

T

A

A

A

C

A

A

M

L

F

L

G

G

L

L

Q

D

C

C

V

V

V

I

Y

Y

M

M

G

G

E

G

E

I

D

D

I

T

R

A

R

R

Q

Q

S

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

E

E

V

V

V

V

E

A

V

V

S

Q

S

T

G

G

T

S

G

K

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M
x
F

R

R

D

D

W
|
W

V

V

T

A

N

N

V

A

R

D

N

N

T

T

Y

Y

Y
|
Y

I

C

I
x
F

G

G

S
x
T

V

A

A

A

G
|
G

P
|
P

H

H

P

P

Y
x
F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

K

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

E

V

Q

Q

M

I

L

Q

E

G

Q

Q

S

A

G

G

G

R

L

L

P

P

H

D

C

A

V

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

A

I

F

F

Y

H

A

A

F

F

L

L

E

D

D

D

R

P

E

G

V

V

E

R

L

L

V

V

G

G

V

F

E

E

A

A

G

A

G

G

L

D

G

G

L

V

D

E

T

T

D

G

R

R

H

H

A

A

A

A

P

T

L

F

T

T

A

A

G

G

R

S

P

P

G

G

V

A

L

F

H
|
H

G
|
G

S

S

Y

F

S

S

Y

Y

L

L

I

L

Q

Q

D

D

G

E

D

D

G

G

Q

Q

V

T

T

I

P

E

V

S

H

H

S

S

V

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

Y

W

L

L

K

K

D

E

T

A

G

G

R

R

V

V

S

D

Y

Y

T

R

V

P

A

I

T

T

D

D

R

S

E

E

A

A

L

M

N

D

A

A

F

F

H

G

L

L

L

L

C

C

R

R

T

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

A

A

H

H

A

A

L

V

A

A

E

G

A

A

I

L

K

K

R

L

A

G

A

V

R

E

M

L

S

G

K

R

E

G

R

A

S

V

I

I

L

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

H

E

T

T

V

A

A

A

K

K

E

W

M

F

G

G

V

L

active site: K97 (= K88), E119 (= E110), S386 (= S377)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H96 (= H87), K97 (= K88), T120 (= T111), G121 (= G112), A122 (= A113), G123 (= G114), Q124 (= Q115), H125 (= H116), T200 (≠ S191), G242 (= G233), G244 (= G235), S245 (= S236), N246 (= N237), G313 (= G304), E360 (= E351), S386 (= S377)
binding (3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol: F184 (≠ M175), W187 (= W178), Y196 (= Y187), F198 (≠ I189), G203 (= G194), P204 (= P195), F207 (≠ Y198), H290 (= H281), G291 (= G282)

6dweB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and brd0059-bound form
63% identity, 99% coverage: 3:393/396 of query aligns to 9:402/404 of 6dweB

query
sites
6dweB

P

P

D

D

N

S

R

G

G

G

Y

H

F

F

G

G

S

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F

Y

V

V

P

P

E

E

T

A

L

L

I

M

P

A

A

V

L

I

E

E

E

E

L

V

T

T

K

A

A

A

Y

Y

Q

Q

Q

K

A

E

Q

R

Q

V

D

S

G

Q

N

D

F

F

Q

L

R

D

E

D

V

L

E

D

H

R

Y

L

L

Q

K

A

N

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

V

L

Y

Y

L

E

A

A

R

T

G

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

R

R

I

I

W

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

T

V

L

L

G

G

Q

Q

V

A

L

L

L

L

A

A

R

R

R

R

M

M

G

G

K

K

K

T

R

R

I

V

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G
|
G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

T

A

A

A

C

A

A

M

L

F

L

G

G

L

L

Q

D

C

C

V

V

V

I

Y

Y

M

M

G

G

E

G

E

I

D

D

I

T

R

A

R

R

Q

Q

S

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

E

E

V

V

V

V

E

A

V

V

S

Q

S

T

G

G

T

S

G

K

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M
x
F

R

R

D

D

W

W

V

V

T

A

N

N

V

A

R

D

N

N

T

T

Y

Y

Y
|
Y

I

C

I
x
F

G

G

S
x
T

V

A

A

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

K

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

E

V

Q

Q

M

I

L

Q

E

G

Q

Q

S

A

G

G

G

R

L

L

P

P

H

D

C

A

V

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

A

I

F

F

Y

H

A

A

F

F

L

L

E

D

D

D

R

P

E

G

V

V

E

R

L

L

V

V

G

G

V

F

E

E

A

A

G

A

G

G

L

D

G

G

L

V

D

E

T

T

D

G

R

R

H

H

A

A

A

A

P

T

L

F

T

T

A

A

G

G

R

S

P

P

G

G

V

A

L

F

H
|
H

G

G

S

S

Y

F

S

S

Y

Y

L

L

I

L

Q

Q

D

D

G

E

D

D

G

G

Q

Q

V

T

T

I

P

E

V

S

H

H

S

S

V

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

Y

W

L

L

K

K

D

E

T

A

G

G

R

R

V

V

S

D

Y

Y

T

R

V

P

A

I

T

T

D

D

R

S

E

E

A

A

L

M

N

D

A

A

F

F

H

G

L

L

L

L

C

C

R

R

T

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

A

A

H

H

A

A

L

V

A

A

E

G

A

A

I

L

K

K

R

L

A

G

A

V

R

E

M

L

S

G

K

R

E

G

R

A

S

V

I

I

L

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

H

E

T

T

V

A

A

A

K

K

E

W

M

F

G

G

V

L

active site: K97 (= K88), E119 (= E110), S386 (= S377)
binding (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: F184 (≠ M175), Y196 (= Y187), F198 (≠ I189), P204 (= P195), F207 (≠ Y198), H290 (= H281)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H96 (= H87), K97 (= K88), T120 (= T111), G121 (= G112), A122 (= A113), G123 (= G114), Q124 (= Q115), H125 (= H116), T200 (≠ S191), G242 (= G233), G244 (= G235), S245 (= S236), N246 (= N237), G313 (= G304), E360 (= E351), S386 (= S377)

5ocwB Structure of mycobacterium tuberculosis tryptophan synthase in space group f222 (see paper)
63% identity, 99% coverage: 3:393/396 of query aligns to 5:398/399 of 5ocwB

query
sites
5ocwB

P

P

D

D

N

S

R

G

G

G

Y

H

F

F

G

G

S

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F

Y

V

V

P

P

E

E

T

A

L

L

I

M

P

A

A

V

L

I

E

E

E

E

L

V

T

T

K

A

A

A

Y

Y

Q

Q

Q

K

A

E

Q

R

Q

V

D

S

G

Q

N

D

F

F

Q

L

R

D

E

D

V

L

E

D

H

R

Y

L

L

Q

K

A

N

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

V

L

Y

Y

L

E

A

A

R

T

G

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

R

R

I

I

W

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

T

V

L

L

G

G

Q

Q

V

A

L

L

L

L

A

A

R

R

R

R

M

M

G

G

K

K

K

T

R

R

I

V

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

T

A

A

A

C

A

A

M

L

F

L

G

G

L

L

Q

D

C

C

V

V

V

I

Y

Y

M

M

G

G

E

G

E

I

D

D

I

T

R

A

R

R

Q

Q

S

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

E

E

V

V

V

V

E

A

V

V

S

Q

S

T

G

G

T

S

G

K

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

F

R

R

D

D

W

W

V

V

T

A

N

N

V

A

R

D

N

N

T

T

Y

Y

Y

Y

I

C

I

F

G

G

S
x
T

V

A

A

A

G

G

P

P

H

H

P

P

Y

F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

K

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

E

V

Q

Q

M

I

L

Q

E

G

Q

Q

S

A

G

G

G

R

L

L

P

P

H

D

C

A

V

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

A

I

F

F

Y

H

A

A

F

F

L

L

E

D

D

D

R

P

E

G

V

V

E

R

L

L

V

V

G

G

V

F

E

E

A

A

G

A

G

G

L

D

G

G

L

V

D

E

T

T

D

G

R

R

H

H

A

A

A

A

P

T

L

F

T

T

A

A

G

G

R

S

P

P

G

G

V

A

L

F

H

H

G

G

S

S

Y

F

S

S

Y

Y

L

L

I

L

Q

Q

D

D

G

E

D

D

G

G

Q

Q

V

T

T

I

P

E

V

S

H

H

S

S

V

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

Y

W

L

L

K

K

D

E

T

A

G

G

R

R

V

V

S

D

Y

Y

T

R

V

P

A

I

T

T

D

D

R

S

E

E

A

A

L

M

N

D

A

A

F

F

H

G

L

L

L

L

C

C

R

R

T

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

A

A

H

H

A

A

L

V

A

A

E

G

A

A

I

L

K

K

R

L

A

G

A

V

R

E

M

L

S

G

K

R

E

G

R

A

S

V

I

I

L

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

H

E

T

T

V

A

A

A

K

K

E

W

M

F

G

G

V

L

active site: K93 (= K88), E115 (= E110), S382 (= S377)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H92 (= H87), K93 (= K88), T116 (= T111), G117 (= G112), A118 (= A113), Q120 (= Q115), H121 (= H116), T196 (≠ S191), G238 (= G233), G240 (= G235), S241 (= S236), N242 (= N237), G309 (= G304), E356 (= E351), S382 (= S377)

6u6cB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk2-bound form (see paper)
63% identity, 99% coverage: 3:393/396 of query aligns to 10:403/405 of 6u6cB

query
sites
6u6cB

P

P

D

D

N

S

R

G

G

G

Y

H

F

F

G

G

S

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F
x
Y

V

V

P

P

E

E

T

A

L

L

I

M

P

A

A

V

L

I

E

E

E

E

L

V

T

T

K

A

A

A

Y

Y

Q

Q

Q

K

A

E

Q

R

Q

V

D

S

G

Q

N

D

F

F

Q

L

R

D

E

D

V

L

E

D

H

R

Y

L

L

Q

K

A

N

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

V

L

Y

Y

L

E

A

A

R

T

G

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

R

R

I

I

W

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

T

V

L

L

G

G

Q

Q

V

A

L

L

L

L

A

A

R

R

R

R

M

M

G

G

K

K

K

T

R

R

I

V

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

T

A

A

A

C

A

A

M

L

F

L

G

G

L

L

Q

D

C

C

V

V

V

I

Y

Y

M

M

G

G

E

G

E

I

D

D

I

T

R

A

R

R

Q

Q

S

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

E

E

V

V

V

V

E

A

V

V

S

Q

S

T

G

G

T

S

G

K

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M
x
F

R

R

D

D

W
|
W

V

V

T

A

N

N

V

A

R

D

N

N

T

T

Y

Y

Y
|
Y

I

C

I
x
F

G

G

S
x
T

V

A

A

A

G
|
G

P
|
P

H

H

P

P

Y

F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

K

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

E

V

Q

Q

M

I

L

Q

E

G

Q

Q

S

A

G

G

G

R

L

L

P

P

H

D

C

A

V

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

A

I

F

F

Y

H

A

A

F

F

L

L

E

D

D

D

R

P

E

G

V

V

E

R

L

L

V

V

G

G

V

F

E

E

A

A

G

A

G

G

L

D

G

G

L

V

D

E

T

T

D

G

R

R

H

H

A

A

A

A

P

T

L

F

T

T

A

A

G

G

R

S

P

P

G

G

V

A

L

F

H
|
H

G
|
G

S

S

Y

F

S

S

Y

Y

L

L

I

L

Q

Q

D

D

G

E

D

D

G

G

Q

Q

V

T

T

I

P

E

V

S

H

H

S

S

V

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

Y

W

L

L

K

K

D

E

T

A

G

G

R

R

V

V

S

D

Y

Y

T

R

V

P

A

I

T

T

D

D

R

S

E

E

A

A

L

M

N

D

A

A

F

F

H

G

L

L

L

L

C

C

R

R

T

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

A

A

H

H

A

A

L

V

A

A

E

G

A

A

I

L

K

K

R

L

A

G

A

V

R

E

M

L

S

G

K

R

E

G

R

A

S

V

I

I

L

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

H

E

T

T

V

A

A

A

K

K

E

W

M

F

G

G

V

L

active site: K98 (= K88), E120 (= E110), S387 (= S377)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H97 (= H87), K98 (= K88), T121 (= T111), G122 (= G112), A123 (= A113), Q125 (= Q115), H126 (= H116), T201 (≠ S191), G243 (= G233), G245 (= G235), S246 (= S236), N247 (= N237), G314 (= G304), E361 (= E351), S387 (= S377)
binding 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide: Y26 (≠ F16), F185 (≠ M175), W188 (= W178), Y197 (= Y187), F199 (≠ I189), G204 (= G194), P205 (= P195), H291 (= H281), G292 (= G282)

6uapB Crystal structure of tryptophan synthase from m. Tuberculosis - open form with brd6309 bound
63% identity, 99% coverage: 3:393/396 of query aligns to 9:402/405 of 6uapB

query
sites
6uapB

P

P

D

D

N

S

R

G

G

G

Y

H

F

F

G

G

S

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F

Y

V

V

P

P

E

E

T

A

L

L

I

M

P

A

A

V

L

I

E

E

E

E

L

V

T

T

K

A

A

A

Y

Y

Q

Q

Q

K

A

E

Q

R

Q

V

D

S

G

Q

N

D

F

F

Q

L

R

D

E

D

V

L

E

D

H

R

Y

L

L

Q

K

A

N

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

V

L

Y

Y

L

E

A

A

R

T

G

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

R

R

I

I

W

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H

H

K
|
K

I

I

N

N

N

N

T

V

L

L

G

G

Q

Q

V

A

L

L

L

L

A

A

R

R

R

R

M

M

G

G

K

K

K

T

R

R

I

V

I

I

A

A

E
|
E

T

T

G

G

A

A

G

G

Q

Q

H

H

G

G

V

V

A

A

T

T

A

A

T

T

A

A

A

C

A

A

M

L

F

L

G

G

L

L

Q

D

C

C

V

V

V

I

Y

Y

M

M

G

G

E

G

E

I

D

D

I

T

R

A

R

R

Q

Q

S

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

E

E

V

V

V

V

E

A

V

V

S

Q

S

T

G

G

T

S

G

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

D

D

W

W

V

V

T

A

N

N

V

A

R

D

N

N

T

T

Y

Y

Y
|
Y

I

C

I
x
F

G

G

S

T

V

A

A

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

K

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

E

V

Q

Q

M

I

L

Q

E

G

Q

Q

S

A

G

G

G

R

L

L

P

P

H

D

C

A

V

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

A

I

F

F

Y

H

A

A

F

F

L

L

E

D

D

D

R

P

E

G

V

V

E

R

L

L

V

V

G

G

V

F

E

E

A

A

G

A

G

G

L

D

G

G

L

V

D

E

T

T

D

G

R

R

H

H

A

A

A

A

P

T

L

F

T

T

A

A

G

G

R

S

P

P

G

G

V

A

L

F

H
|
H

G

G

S

S

Y

F

S

S

Y

Y

L

L

I

L

Q

Q

D

D

G

E

D

D

G

G

Q

Q

V

T

T

I

P

E

V

S

H

H

S

S

V

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

Y

W

L

L

K

K

D

E

T

A

G

G

R

R

V

V

S

D

Y

Y

T

R

V

P

A

I

T

T

D

D

R

S

E

E

A

A

L

M

N

D

A

A

F

F

H

G

L

L

L

L

C

C

R

R

T

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E

E

S

S

A

A

H

H

A

A

L

V

A

A

E

G

A

A

I

L

K

K

R

L

A

G

A

V

R

E

M

L

S

G

K

R

E

G

R

A

S

V

I

I

L

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

H

E

T

T

V

A

A

A

K

K

E

W

M

F

G

G

V

L

active site: K97 (= K88), E119 (= E110), S386 (= S377)
binding (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: I180 (≠ M171), N181 (= N172), F184 (≠ M175), Y196 (= Y187), F198 (≠ I189), P204 (= P195), F207 (≠ Y198), H290 (= H281)

5tciH Crystal structure of tryptophan synthase from m. Tuberculosis - brd4592-bound form (see paper)
63% identity, 99% coverage: 3:393/396 of query aligns to 10:403/406 of 5tciH

query
sites
5tciH

P

P

D

D

N

S

R

G

G

G

Y

H

F

F

G

G

S

G

-

P

-

S

-

G

Y

W

G

G

G

G

I

R

F

Y

V

V

P
|
P

E

E

T

A

L
|
L

I

M

P

A

A

V

L

I

E

E

E

E

L

V

T

T

K

A

A

A

Y

Y

Q

Q

Q

K

A

E

Q

R

Q

V

D

S

G

Q

N

D

F

F

Q

L

R

D

E

D

V

L

E

D

H

R

Y

L

L

Q

K

A

N

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

V

L

Y

Y

L

E

A

A

R

T

G

R

L

L

S

S

E

Q

K

H

M

A

G

G

G

S

A

A

R

R

I

I

W

F

L

L

K

K

R

R

E

E

D

D

L

L

N

N

H

H

T

T

G

G

A

S

H

H

K
|
K

I

I

N

N

N

N

T

V

L

L

G

G

Q

Q

V

A

L

L

L

L

A

A

R

R

R

R

M

M

G

G

K

K

K

T

R

R

I

V

I

I

A

A

E
|
E

T

T

G

G

A

A

G

G

Q

Q

H

H

G

G

V

V

A

A

T

T

A

A

T

T

A

A

A

C

A

A

M

L

F

L

G

G

L

L

Q

D

C

C

V

V

V

I

Y

Y

M

M

G

G

E

G

E

I

D

D

I

T

R

A

R

R

Q

Q

S

A

L

L

N

N

V

V

F

A

R

R

M

M

K

R

L

L

L

L

G

G

A

A

E

E

V

V

V

V

E

A

V

V

S

Q

S

T

G

G

T

S

G

K

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

F

R

R

D

D

W

W

V

V

T

A

N

N

V

A

R

D

N

N

T

T

Y

Y

Y
|
Y

I

C

I
x
F

G

G

S

T

V

A

A

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

M

T

M

M

V

V

R

R

D

D

F

F

Q

Q

K

R

I

I

I

I

G

G

Q

M

E

E

A

A

R

R

E

V

Q

Q

M

I

L

Q

E

G

Q

Q

S

A

G

G

G

R

L

L

P

P

H

D

C

A

V

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

A

I

F

F

Y

H

A

A

F

F

L

L

E

D

D

D

R

P

E

G

V

V

E

R

L

L

V

V

G

G

V

F

E

E

A

A

G

A

G

G

L

D

G

G

L

V

D

E

T

T

D

G

R

R

H

H

A

A

A

A

P

T

L

F

T

T

A

A

G

G

R

S

P

P

G

G

V

A

L

F

H
|
H

G

G

S

S

Y

F

S

S

Y

Y

L

L

I

L

Q

Q

D

D

G

E

D

D

G

G

Q

Q

V

T

T

I

P

E

V

S

H

H

S

S

V

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

Y

W

L

L

K

K

D

E

T

A

G

G

R

R

V

V

S

D

Y

Y

T

R

V

P

A

I

T

T

D

D

R

S

E

E

A

A

L

M

N

D

A

A

F

F

H

G

L

L

L

L

C

C

R

R

T

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E

E

S

S

A

A

H

H

A

A

L

V

A

A

E

G

A

A

I

L

K

K

R

L

A

G

A

V

R

E

M

L

S

G

K

R

E

G

R

A

S

V

I

I

L

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

V

H

E

T

T

V

A

A

A

K

K

E

W

M

F

G

G

V

L

active site: K98 (= K88), E120 (= E110), S387 (= S377)
binding (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile: P28 (= P18), L31 (= L21), Y197 (= Y187), F199 (≠ I189), P205 (= P195), F208 (≠ Y198), H291 (= H281)

5dw3A Tryptophan synthase beta-subunit from pyrococcus furiosus with product l-tryptophan non-covalently bound in the active site (see paper)
62% identity, 96% coverage: 8:389/396 of query aligns to 2:382/383 of 5dw3A

query
sites
5dw3A

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

I

P

E

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

I

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

L

L

L

A

A

R

K

R

F

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S
|
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L

F

H

H

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

D

G

-

D

E

G

G

Q

Q

V

I

T

K

P

P

V

T

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

T

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

active site: K82 (= K88), E104 (= E110), S370 (= S377)
binding tryptophan: K82 (= K88), E104 (= E110), T105 (= T111), G106 (= G112), A107 (= A113), Q109 (= Q115), H110 (= H116), S185 (= S191), G228 (= G234), Y300 (= Y307)

6am8B Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9 with trp bound as e(aex2) (see paper)
61% identity, 96% coverage: 8:389/396 of query aligns to 2:383/385 of 6am8B

query
sites
6am8B

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P
|
P

E

E

T

T

L

L

I

V

P

G

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

V

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

L

L

L

A

A

R

K

R

L

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L
|
L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M
x
L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S
|
S

V

V

A
x
V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L
x
S

H
|
H

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

D

G

E

D

E

G

G

Q

Q

V

I

T

K

P

P

V

S

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

A

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S
|
S

G
|
G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

active site: K82 (= K88), E104 (= E110), S371 (= S377)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane: H81 (= H87), K82 (= K88), E104 (= E110), T105 (= T111), G106 (= G112), A107 (= A113), Q109 (= Q115), H110 (= H116), L161 (= L167), S185 (= S191), V187 (≠ A193), G227 (= G233), G228 (= G234), G229 (= G235), S230 (= S236), N231 (= N237), G298 (= G304), Y301 (= Y307), E345 (= E351), S371 (= S377), G372 (= G378)
binding tryptophan: P12 (= P18), L169 (≠ M175), S274 (≠ L280), H275 (= H281)

5ixjD Tryptophan synthase beta-subunit from pyrococcus furiosus with l- threonine non-covalently bound in the active site (see paper)
62% identity, 97% coverage: 8:392/396 of query aligns to 2:384/394 of 5ixjD

query
sites
5ixjD

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

I

P

E

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

I

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

L

L

L

A

A

R

K

R

F

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A

A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S

S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L

F

H

H

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

-

G

-

D

D

G

G

Q

Q

V

I

T

K

P

P

V

T

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

T

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

E

V

M

S

G

G

active site: K82 (= K88), E104 (= E110), S369 (= S377)
binding threonine: T105 (= T111), G106 (= G112), Q109 (= Q115), H110 (= H116), D298 (= D306)

5t6mA Structure of the tryptophan synthase b-subunit from pyroccus furiosus with b-methyltryptophan non-covalently bound (see paper)
62% identity, 96% coverage: 8:389/396 of query aligns to 2:381/383 of 5t6mA

query
sites
5t6mA

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

I

P

E

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

I

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

L

L

L

A

A

R

K

R

F

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S

S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L

F

H

H

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

-

G

-

D

D

G

G

Q

Q

V

I

T

K

P

P

V

T

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

T

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

active site: K82 (= K88), E104 (= E110), S369 (= S377)
binding phosphate ion: K82 (= K88), T105 (= T111), G106 (= G112), A107 (= A113), Q109 (= Q115), H110 (= H116)

7rnpA Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9_h275e with 4-cl-trp non-covalently bound (see paper)
61% identity, 96% coverage: 8:389/396 of query aligns to 2:383/384 of 7rnpA

query
sites
7rnpA

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

V

P

G

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

V

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

L

L

L

A

A

R

K

R

L

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G

G

A

A

G

G

Q

Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L
|
L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S
|
S

V

V

A
x
V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L

S

H

E

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

D

G

E

D

E

G

G

Q

Q

V

I

T

K

P

P

V

S

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

A

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S

S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

binding 4-chloro-L-tryptophan: K82 (= K88), E104 (= E110), T105 (= T111), H110 (= H116), L161 (= L167), S185 (= S191), V187 (≠ A193), G228 (= G234), Y301 (= Y307)

6cutA Engineered holo trpb from pyrococcus furiosus, pftrpb7e6 with (2s,3s)- isopropylserine bound as the external aldimine (see paper)
61% identity, 96% coverage: 8:389/396 of query aligns to 2:383/385 of 6cutA

query
sites
6cutA

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

V

P

G

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

I

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

P

L

L

A

A

R

K

R

L

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E

E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L

A

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

E

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S
|
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L

L

H

H

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

D

G

E

D

E

G

G

Q

Q

V

I

T

K

P

P

V

S

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

T

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

binding (2S,3S)-3-hydroxy-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]-4-methylpentanoic acid (non-preferred name): H81 (= H87), K82 (= K88), T105 (= T111), G106 (= G112), A107 (= A113), Q109 (= Q115), H110 (= H116), S185 (= S191), G227 (= G233), G229 (= G235), S230 (= S236), N231 (= N237), G298 (= G304), E345 (= E351), S371 (= S377)

5vm5D Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9, with ser bound (see paper)
61% identity, 96% coverage: 8:389/396 of query aligns to 2:381/383 of 5vm5D

query
sites
5vm5D

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

V

P

G

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

V

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

L

L

L

A

A

R

K

R

L

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E
|
E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

V

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S
|
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L

S

H

H

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

-

G

-

D

D

G

G

Q

Q

V

I

T

K

P

P

V

S

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

A

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

active site: K82 (= K88), E104 (= E110), S369 (= S377)
binding 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid: H81 (= H87), K82 (= K88), T105 (= T111), G106 (= G112), A107 (= A113), Q109 (= Q115), H110 (= H116), S185 (= S191), G227 (= G233), G229 (= G235), S230 (= S236), N231 (= N237), G296 (= G304), E343 (= E351), S369 (= S377)

6cuzA Engineered trpb from pyrococcus furiosus, pftrpb7e6 with (2s,3r)- ethylserine bound as the amino-acrylate (see paper)
61% identity, 96% coverage: 8:389/396 of query aligns to 2:383/383 of 6cuzA

query
sites
6cuzA

Y

W

F

F

G

G

S

E

Y

F

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

T

L

L

I

V

P

G

A

P

L

L

E

K

E

E

L

L

T

E

K

K

A

A

Y

Y

Q

K

Q

R

A

F

Q

K

Q

D

D

D

G

E

N

E

F

F

Q

N

R

R

E

Q

V

L

E

N

H

Y

Y

Y

L

L

K

K

N

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

Y

A

A

R

K

G

R

L

L

S

T

E

E

K

K

M

I

G

G

G

G

A

A

R

K

I

I

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

T

A

L

I

G

G

Q

Q

V

A

L

P

L

L

A

A

R

K

R

L

M

M

G

G

K

K

K

T

R

R

I

L

I

I

A

A

E

E

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

M

A

A

A

G

A

A

M

L

F

L

G

G

L

M

Q

K

C

V

V

D

V

I

Y

Y

M

M

G

G

E

A

E

E

D

D

I

V

R

E

R

R

Q

Q

S

K

L

M

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

N

V

V

V

I

E

P

V

V

S

N

S

S

G

G

T

S

G

R

T

T

L

A

K

K

D

D

A

A

M

I

N

N

E

E

A

A

M

L

R

R

D

D

W

W

V

E

T

A

N

T

V

F

R

E

N

Y

T

T

Y

H

Y

Y

I

L

I

I

G

G

S
|
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

T

M

I

V

V

R

R

D

D

F

F

Q

Q

K

S

I

V

I

I

G

G

Q

R

E

E

A

A

R

K

E

A

Q

Q

M

I

L

L

E

E

Q

A

S

E

G

G

G

Q

L

L

P

P

H

D

C

V

V

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

A

I

F

F

Y

Y

A

P

F

F

L

V

E

N

D

D

R

K

E

K

V

V

E

K

L

L

V

V

G

G

V

V

E

E

A

A

G

G

G

G

L

K

G

G

L

L

D

E

T

S

D

G

R

K

H

H

A

S

A

A

P

S

L

L

T

N

A

A

G

G

R

Q

P

V

G

G

V

V

L

L

H

H

G

G

S

M

Y

L

S

S

Y

Y

L

F

I

L

Q

Q

D

D

G

E

D

E

G

G

Q

Q

V

I

T

K

P

P

V

S

H

H

S

S

V

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

Y

Y

L

L

K

K

D

K

T

I

G

Q

R

R

V

A

S

E

Y

Y

T

V

V

T

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

K

A

A

F

F

H

H

L

E

L

L

C

S

R

R

T

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

A

A

H

H

A

A

L

V

A

A

E

Y

A

A

I

M

K

K

R

L

A

A

A

K

R

E

M

M

S

S

K

R

E

D

R

E

S

I

I

I

L

I

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

H

D

T

I

V

V

A

L

K

K

binding (2E)-2-[(E)-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)amino]pent-2-enoic acid: H81 (= H87), K82 (= K88), T105 (= T111), G106 (= G112), A107 (= A113), Q109 (= Q115), H110 (= H116), S185 (= S191), G227 (= G233), G229 (= G235), S230 (= S236), N231 (= N237), G298 (= G304), E345 (= E351), S371 (= S377)

8vhhA Engineered holo tryptophan synthase (tm9d8 ) Derived from t. Maritima trpb (see paper)
63% identity, 96% coverage: 6:387/396 of query aligns to 1:377/389 of 8vhhA

query
sites
8vhhA

R

K

G

G

Y

Y

F

F

G

G

S

P

Y

Y

G

G

G

G

I

Q

F

Y

V

V

P

P

E

E

T

I

L

L

I

M

P

G

A

A

L

L

E

E

E

E

L

L

T

E

K

A

A

A

Y

Y

Q

E

Q

G

A

I

Q

M

Q

K

D

D

G

E

N

S

F

F

Q

W

R

K

E

E

V

F

E

N

H

D

Y

L

L

L

K

R

N

D

Y

Y

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

F

A

A

R

R

G

R

L

L

S

S

E

E

K

K

M

Y

G

G

G

-

A

A

R

R

I

V

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

L

H

H

T

T

G

G

A

A

H
|
H

K
|
K

I

I

N

N

N

N

T

A

L

I

G

G

Q

Q

V

V

L

L

L

L

A

A

R

K

R

L

M

M

G

G

K

K

K

T

R

R

I

I

I

I

A

A

E

E

T

T

G

G

A

A

G

G

Q
|
Q

H

H

G

G

V

V

A

A

T

T

A

A

T

T

A

A

A

A

A

A

M

L

F

F

G

G

L

M

Q

E

C

C

V

V

V

I

Y

Y

M

M

G

G

E

E

E

E

D

D

I

T

R

I

R

R

Q

Q

S

K

L

L

N

N

V

V

F

E

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

K

V

V

V

V

E

P

V

V

S

K

S

S

G

G

T

S

G

R

T

T

L

L

K

K

D

D

A

A

M

I

N

D

E

E

A

A

M

L

R

R

D

D

W

W

V

I

T

T

N

N

V

L

R

Q

N

T

T

T

Y

Y

Y

Y

I

V

I

F

G

G

S
|
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

I

M

I

V

V

R

R

D

N

F

F

Q

Q

K

K

I

V

I

I

G

G

Q

E

E

E

A

T

R

K

E

K

Q

Q

M

I

L

P

E

E

Q

K

S

E

G

G

G

R

L

L

P

P

H

D

C

Y

V

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

A

I

F

F

Y

Y

A

P

F

F

L

I

E

-

D

D

R

S

E

G

V

V

E

K

L

L

V

I

G

G

V

V

E

E

A

A

G

G

G

G

L

E

G

G

L

L

D

E

T

T

D

G

R

K

H

H

A

A

A

A

P

S

L

L

T

L

A

K

G

G

R

K

P

I

G

G

V

Y

L

L

H

H

G

G

S

S

Y

K

S

T

Y

F

L

V

I

L

Q

Q

D

D

G

D

D

W

G

G

Q

Q

V

V

T

Q

P

V

V

S

H

H

S

S

V

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

Y

Y

L

W

K

R

D

E

T

T

G

G

R

K

V

V

S

L

Y

Y

T

D

V

A

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

D

A

A

F

F

H

I

L

E

L

L

C

S

R

R

T

L

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

A

S

H

H

A

A

L

L

A

A

E

Y

A

L

I

K

K

K

R

I

A

N

A

I

R

-

M

-

S

-

K

K

E

G

R

K

S

V

I

V

L

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

L

H

E

T

S

V

V

binding pyridoxal-5'-phosphate: H81 (= H87), K82 (= K88), Q109 (= Q115), S185 (= S191), G228 (= G234), G229 (= G235), S230 (= S236), N231 (= N237), G297 (= G304), E344 (= E351), S367 (= S377)

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: 7:387/396 of query aligns to 1:376/383 of 8eh1A

query
sites
8eh1A

G

G

Y

N

F

F

G

G

S

P

Y

Y

G

G

G

G

I

Q

F

N

V

V

P

P

E

E

T

I

L

L

I

M

P

G

A

A

L

L

E

E

E

E

L

L

T

E

K

A

A

A

Y

Y

Q

E

Q

G

A

I

Q

M

Q

K

D

D

G

E

N

S

F

F

Q

W

R

K

E

E

V

Y

E

N

H

D

Y

L

L

L

K

R

N

D

Y

Y

V

A

G

G

R

R

P

P

S

T

P

P

V

L

Y

Y

L

F

A

A

R

R

G

R

L

L

S

S

E

E

K

K

M

Y

G

G

G

-

A

A

R

R

I

V

W

Y

L

L

K

K

R

R

E

E

D

D

L

L

N

L

H

H

T

T

G

G

A

A

H
|
H

K
|
K

I

I

N

N

N

N

T

A

L

I

G

G

Q

Q

V

V

L

L

L

L

A

A

R

K

R

L

M

M

G

G

K

K

K

T

R

R

I

I

I

T

A

A

E
x
G

T
|
T

G
|
G

A
|
A

G

G

Q
|
Q

H
|
H

G

G

V

V

A

A

T

T

A

A

T

T

A

A

A

A

A

A

M

L

F

F

G

G

L

M

Q

E

C

C

V

V

V

I

Y

Y

M

M

G

G

E

E

E

E

D

D

I

T

R

I

R

R

Q

Q

S

K

L

L

N

N

V

V

F

E

R

R

M

M

K

K

L

L

L

L

G

G

A

A

E

K

V

V

V

V

E

P

V

V

S

K

S

S

G

G

T

S

G

R

T

T

L
|
L

K

K

D

D

A

A

M
x
I

N

D

E

E

A

A

M

L

R

R

D

D

W

W

V

I

T

T

N

N

V

L

R

Q

N

T

T

T

Y

Y

Y

Y

I

V

I

P

G
|
G

S
|
S

V

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

M

I

M

I

V

V

R

R

D

N

F

F

Q

Q

K

K

I

V

I

I

G

G

Q

E

E

E

A

T

R

K

E

K

Q

Q

M

I

L

P

E

E

Q

K

S

E

G

G

G

R

L

L

P

P

H

D

C

Y

V

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

A

I

F

F

Y

Y

A

P

F

F

L

I

E

-

D

D

R

S

E

G

V

V

E

K

L

L

V

I

G

G

V

V

E

E

A

A

G

G

G

G

L

E

G

G

L

L

D

E

T

T

D

G

R

K

H

H

A

A

A

A

P

S

L

L

T

L

A

K

G

G

R

K

P

I

G

G

V

Y

L

L

H

H

G

G

S

S

Y

K

S

T

Y

F

L

V

I

L

Q

Q

D

D

G

D

D

W

G

G

Q

Q

V

V

T

Q

P

A

V

S

H

H

S

S

V

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

Y

Y

L

W

K

R

D

E

T

T

G

G

R

K

V

V

S

L

Y

Y

T

D

V

A

A

V

T

T

D

D

R

E

E

E

A

A

L

L

N

D

A

A

F

F

H

I

L

E

L

L

C

S

R

R

T

L

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

A

S

H

H

A

A

L

L

A

A

E

Y

A

L

I

K

K

K

R

I

A

N

A

I

R

-

M

-

S

-

K

K

E

G

R

K

S

V

I

V

L

V

V

V

C

N

L

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

V

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 (= H87), K81 (= K88), T104 (= T111), G105 (= G112), A106 (= A113), Q108 (= Q115), H109 (= H116), S184 (= S191), G228 (= G235), S229 (= S236), N230 (= N237), G296 (= G304), E343 (= E351), S366 (= S377)
binding quinolin-4-ol: G103 (≠ E110), L160 (= L167), I164 (≠ M171), G183 (= G190), S184 (= S191), Y299 (= Y307)

Query Sequence

>WP_013841408.1 NCBI__GCF_000215085.1:WP_013841408.1
MQPDNRGYFGSYGGIFVPETLIPALEELTKAYQQAQQDGNFQREVEHYLKNYVGRPSPVY
LARGLSEKMGGARIWLKREDLNHTGAHKINNTLGQVLLARRMGKKRIIAETGAGQHGVAT
ATAAAMFGLQCVVYMGEEDIRRQSLNVFRMKLLGAEVVEVSSGTGTLKDAMNEAMRDWVT
NVRNTYYIIGSVAGPHPYPMMVRDFQKIIGQEAREQMLEQSGGLPHCVVACVGGGSNAMG
AFYAFLEDREVELVGVEAGGLGLDTDRHAAPLTAGRPGVLHGSYSYLIQDGDGQVTPVHS
VSAGLDYPGVGPEHSYLKDTGRVSYTVATDREALNAFHLLCRTEGIIPALESAHALAEAI
KRAARMSKERSILVCLSGRGDKDVHTVAKEMGVDLA

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