SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ga0059261_0238 FitnessBrowser__Korea:Ga0059261_0238 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
70% identity, 95% coverage: 15:397/403 of query aligns to 1:383/383 of 5ey5B

query
sites
5ey5B

G

G

H

R

F

F

G

G

Q

K

F

Y

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

M

P

P

L

A

I

L

L

E

D

E

L

L

E

E

R

E

E

A

Y

Y

R

E

A

R

A

A

K

K

A

N

D

D

P

P

A

E

F

F

Q

Q

A

A

E

E

F

L

D

E

G

Y

L

Y

M

L

K

R

H

D

Y

Y

V

V

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

F

A

A

E

E

R

N

L

L

T

T

R

K

H

D

Y

L

G

G

G

G

A

A

K

K

I

I

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

N

H

H

T

T

G

G

A

A

H
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H

K
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K

I

I

N

N

N

N

C

A

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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
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Q

H

H

G

G

V

V

A

A

T

T

A

A

T

T

V

V

C

A

A

A

R

M

F

F

G

G

L

L

P

E

C

C

T

V

I

V

F

Y

M

M

G

G

A

A

K

E

D

D

I

I

E

E

R

R

Q

Q

Q

A

P

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

R

R

P

P

V

V

T

T

S

S

G

G

S

S

Q

R

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

M

R

R

D

D

W

W

V

V

A

T

T

N

V

V

H

E

D

D

T

T

F

F

Y

Y

I

I

I

I

G

G

T
x
S

A

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

M

L

M

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

E

E

E

S

A

R

R

A

Q

Q

Q

M

I

L

L

E

E

A

K

E

E

G

G

R

R

L

L

P

P

D

D

L

A

L

I

I

V

A

A

A

C

V

V

G
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G

G

G

G
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G

S
|
S

N
|
N

A

A

I

M

G

G

L

I

F

F

H

H

P

P

F

F

L

I

D

D

D

D

N

E

D

S

V

V

A

R

M

L

V

I

G

G

V

V

E

E

A

A

A

A

G

G

K

K

G

G

I

I

D

E

T

T

S

G

E

K

H

H

A

A

A

A

S

T

L

L

T

S

G

A

G

G

A

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

D

D

G

G

Q

Q

I

I

T

I

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

D

S

T

G

G

R

R

V

A

E

E

Y

Y

L

V

P

S

V

V

T

T

D

D

T

D

Q

E

A

A

L

L

D

E

A

A

F

F

Q

Q

L

L

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
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E

S

S

S

S

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

P

E

E

L

L

P

S

S

K

D

D

K

Q

I

I

I

I

L

V

V

V

N

N

V

L

S
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S

G
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G

R

R

G

G

D

D

K

K

D

D

I

V

Y

N

T

T

V

V

A

A

Q

R

binding pyridoxal-5'-phosphate: H81 (= H95), K82 (= K96), Q109 (= Q123), S185 (≠ T199), G227 (= G241), G229 (= G243), S230 (= S244), N231 (= N245), E345 (= E359), S371 (= S385), G372 (= G386)

6u6cB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk2-bound form (see paper)
59% identity, 97% coverage: 9:400/403 of query aligns to 8:402/405 of 6u6cB

query
sites
6u6cB

N

H

Q

D

P

P

D

D

E

S

R

G

G

G

H

H

F

F

G

G

Q

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y
|
Y

V

V

A

P

E

E

T

A

L

L

M

M

P

A

L

V

I

I

L

E

D

E

L

V

E

T

R

A

E

A

Y

Y

R

Q

A

K

A

E

K

R

A

V

D

S

P

Q

A

D

F

F

Q

L

A

D

E

D

F

L

D

D

G

R

L

L

M

Q

K

A

H

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

L

L

Y

Y

F

E

A

A

E

T

R

R

L

L

T

S

R

Q

H

H

Y

A

G

G

G

S

A

A

K

R

I

I

Y

F

F

L

K

K

R

R

E

E

E

D

L

L

N

N

H

H

T

T

G

G

A

S

H
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H

K
|
K

I

I

N

N

N

N

C

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

I

R

R

R

M

M

G

G

K

K

K

T

R

R

I

V

I

I

A

A

E
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E

T
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T

G
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G

A
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A

G

G

Q
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Q

H
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H

G

G

V

V

A

A

T

T

A

A

T

T

V

A

C

C

A

A

R

L

F

L

G

G

L

L

P

D

C

C

T

V

I

I

F

Y

M

M

G

G

A

G

K

I

D

D

I

T

E

A

R

R

Q

Q

Q

A

P

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

R

V

P

A

V

V

T

Q

S

T

G

G

S

S

Q

K

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L
x
F

R

R

D

D

W
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W

V

V

A

A

T

N

V

A

H

D

D

N

T

T

F

Y

Y
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Y

I

C

I
x
F

G

G

T
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T

A

A

A

A

G
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G

P
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P

H

H

P

P

Y

F

P

P

E

T

L

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

T

M

E

E

S

A

R

R

A

V

Q

Q

M

I

L

Q

E

G

A

Q

E

A

G

G

R

R

L

L

P

P

D

D

L

A

L

V

I

V

A

A

A

C

V

V

G
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G

G

G

G
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G

S
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S

N
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N

A

A

I

I

G

G

L

I

F

F

H

H

P

A

F

F

L

L

D

D

D

D

N

P

D

G

V

V

A

R

M

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

K

D

G

G

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S

G

E

R

H

H

A

A

A

A

S

T

L

F

T

T

G

A

G

G

A

S

P

P

G

G

I

A

L

F

H
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H

G
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G

N

S

K

F

T

S

Y

Y

L

L

L

L

Q

Q

D

D

E

E

D

D

G

G

Q

Q

I

T

T

I

E

E

A

S

H

H

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I

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S

A

A

G
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G

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L

D

D

Y

Y

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P

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G

I

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G

G

P

P

E

E

H

H

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A

W

W

L

L

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E

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A

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E

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D

A

A

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L

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C

K

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E

G

G

I

I

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I

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P

A

A

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E

S

S

S

A

H

H

A

A

L

V

A

A

A

G

L

A

E

L

H

K

K

L

A

G

R

V

E

E

L

L

P

G

S

R

D

G

K

A

I

V

I

I

L

V

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

Y

E

T

T

V

A

A

A

Q

K

A

W

M

F

G

G

active site: K98 (= K96), E120 (= E118), S387 (= S385)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H97 (= H95), K98 (= K96), T121 (= T119), G122 (= G120), A123 (= A121), Q125 (= Q123), H126 (= H124), T201 (= T199), G243 (= G241), G245 (= G243), S246 (= S244), N247 (= N245), G314 (= G312), E361 (= E359), S387 (= S385)
binding 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide: Y26 (= Y24), F185 (≠ L183), W188 (= W186), Y197 (= Y195), F199 (≠ I197), G204 (= G202), P205 (= P203), H291 (= H289), G292 (= G290)

6usaB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk1-bound form (see paper)
59% identity, 97% coverage: 9:400/403 of query aligns to 7:401/404 of 6usaB

query
sites
6usaB

N

H

Q

D

P

P

D

D

E

S

R

G

G

G

H

H

F

F

G

G

Q

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y

Y

V

V

A

P

E

E

T

A

L

L

M

M

P

A

L

V

I

I

L

E

D

E

L

V

E

T

R

A

E

A

Y

Y

R

Q

A

K

A

E

K

R

A

V

D

S

P

Q

A

D

F

F

Q

L

A

D

E

D

F

L

D

D

G

R

L

L

M

Q

K

A

H

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

L

L

Y

Y

F

E

A

A

E

T

R

R

L

L

T

S

R

Q

H

H

Y

A

G

G

G

S

A

A

K

R

I

I

Y

F

F

L

K

K

R

R

E

E

E

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

C

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

I

R

R

R

M

M

G

G

K

K

K

T

R

R

I

V

I

I

A

A

E
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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

A

C

C

A

A

R

L

F

L

G

G

L

L

P

D

C

C

T

V

I

I

F

Y

M

M

G

G

A

G

K

I

D

D

I

T

E

A

R

R

Q

Q

Q

A

P

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

R

V

P

A

V

V

T

Q

S

T

G

G

S

S

Q

K

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L
x
F

R

R

D

D

W
|
W

V

V

A

A

T

N

V

A

H

D

D

N

T

T

F

Y

Y
|
Y

I

C

I
x
F

G

G

T
|
T

A

A

A

A

G
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G

P
|
P

H

H

P

P

Y
x
F

P

P

E

T

L

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

T

M

E

E

S

A

R

R

A

V

Q

Q

M

I

L

Q

E

G

A

Q

E

A

G

G

R

R

L

L

P

P

D

D

L

A

L

V

I

V

A

A

A

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

I

G

G

L

I

F

F

H

H

P

A

F

F

L

L

D

D

D

D

N

P

D

G

V

V

A

R

M

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

K

D

G

G

I

V

D

E

T

T

S

G

E

R

H

H

A

A

A

A

S

T

L

F

T

T

G

A

G

G

A

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

D

D

G

G

Q

Q

I

T

T

I

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

W

L

L

H

K

E

E

S

A

G

G

R

R

V

V

E

D

Y

Y

L

R

P

P

V

I

T

T

D

D

T

S

Q

E

A

A

L

M

D

D

A

A

F

F

Q

G

L

L

C

L

C

C

K

R

L

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

A

G

L

A

E

L

H

K

K

L

A

G

R

V

E

E

L

L

P

G

S

R

D

G

K

A

I

V

I

I

L

V

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

Y

E

T

T

V

A

A

A

Q

K

A

W

M

F

G

G

active site: K97 (= K96), E119 (= E118), S386 (= S385)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H96 (= H95), K97 (= K96), T120 (= T119), G121 (= G120), A122 (= A121), G123 (= G122), Q124 (= Q123), H125 (= H124), T200 (= T199), G242 (= G241), G244 (= G243), S245 (= S244), N246 (= N245), G313 (= G312), E360 (= E359), S386 (= S385)
binding (3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol: F184 (≠ L183), W187 (= W186), Y196 (= Y195), F198 (≠ I197), G203 (= G202), P204 (= P203), F207 (≠ Y206), H290 (= H289), G291 (= G290)

6dweB Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and brd0059-bound form
59% identity, 97% coverage: 9:400/403 of query aligns to 7:401/404 of 6dweB

query
sites
6dweB

N

H

Q

D

P

P

D

D

E

S

R

G

G

G

H

H

F

F

G

G

Q

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y

Y

V

V

A

P

E

E

T

A

L

L

M

M

P

A

L

V

I

I

L

E

D

E

L

V

E

T

R

A

E

A

Y

Y

R

Q

A

K

A

E

K

R

A

V

D

S

P

Q

A

D

F

F

Q

L

A

D

E

D

F

L

D

D

G

R

L

L

M

Q

K

A

H

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

L

L

Y

Y

F

E

A

A

E

T

R

R

L

L

T

S

R

Q

H

H

Y

A

G

G

G

S

A

A

K

R

I

I

Y

F

F

L

K

K

R

R

E

E

E

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

C

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

C

A

A

R

L

F

L

G

G

L

L

P

D

C

C

T

V

I

I

F

Y

M

M

G

G

A

G

K

I

D

D

I

T

E

A

R

R

Q

Q

Q

A

P

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

R

V

P

A

V

V

T

Q

S

T

G

G

S

S

Q

K

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L
x
F

R

R

D

D

W

W

V

V

A

A

T

N

V

A

H

D

D

N

T

T

F

Y

Y
|
Y

I

C

I
x
F

G

G

T
|
T

A

A

A

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

E

T

L

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

T

M

E

E

S

A

R

R

A

V

Q

Q

M

I

L

Q

E

G

A

Q

E

A

G

G

R

R

L

L

P

P

D

D

L

A

L

V

I

V

A

A

A

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

I

G

G

L

I

F

F

H

H

P

A

F

F

L

L

D

D

D

D

N

P

D

G

V

V

A

R

M

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

K

D

G

G

I

V

D

E

T

T

S

G

E

R

H

H

A

A

A

A

S

T

L

F

T

T

G

A

G

G

A

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

D

D

G

G

Q

Q

I

T

T

I

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

W

L

L

H

K

E

E

S

A

G

G

R

R

V

V

E

D

Y

Y

L

R

P

P

V

I

T

T

D

D

T

S

Q

E

A

A

L

M

D

D

A

A

F

F

Q

G

L

L

C

L

C

C

K

R

L

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

A

G

L

A

E

L

H

K

K

L

A

G

R

V

E

E

L

L

P

G

S

R

D

G

K

A

I

V

I

I

L

V

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

Y

E

T

T

V

A

A

A

Q

K

A

W

M

F

G

G

active site: K97 (= K96), E119 (= E118), S386 (= S385)
binding (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: F184 (≠ L183), Y196 (= Y195), F198 (≠ I197), P204 (= P203), F207 (≠ Y206), H290 (= H289)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H96 (= H95), K97 (= K96), T120 (= T119), G121 (= G120), A122 (= A121), G123 (= G122), Q124 (= Q123), H125 (= H124), T200 (= T199), G242 (= G241), G244 (= G243), S245 (= S244), N246 (= N245), G313 (= G312), E360 (= E359), S386 (= S385)

5ocwB Structure of mycobacterium tuberculosis tryptophan synthase in space group f222 (see paper)
59% identity, 97% coverage: 9:400/403 of query aligns to 3:397/399 of 5ocwB

query
sites
5ocwB

N

H

Q

D

P

P

D

D

E

S

R

G

G

G

H

H

F

F

G

G

Q

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y

Y

V

V

A

P

E

E

T

A

L

L

M

M

P

A

L

V

I

I

L

E

D

E

L

V

E

T

R

A

E

A

Y

Y

R

Q

A

K

A

E

K

R

A

V

D

S

P

Q

A

D

F

F

Q

L

A

D

E

D

F

L

D

D

G

R

L

L

M

Q

K

A

H

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

L

L

Y

Y

F

E

A

A

E

T

R

R

L

L

T

S

R

Q

H

H

Y

A

G

G

G

S

A

A

K

R

I

I

Y

F

F

L

K

K

R

R

E

E

E

D

L

L

N

N

H

H

T

T

G

G

A

S

H
|
H

K
|
K

I

I

N

N

N

N

C

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

C

A

A

R

L

F

L

G

G

L

L

P

D

C

C

T

V

I

I

F

Y

M

M

G

G

A

G

K

I

D

D

I

T

E

A

R

R

Q

Q

Q

A

P

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

R

V

P

A

V

V

T

Q

S

T

G

G

S

S

Q

K

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

F

R

R

D

D

W

W

V

V

A

A

T

N

V

A

H

D

D

N

T

T

F

Y

Y

Y

I

C

I

F

G

G

T
|
T

A

A

A

A

G

G

P

P

H

H

P

P

Y

F

P

P

E

T

L

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

T

M

E

E

S

A

R

R

A

V

Q

Q

M

I

L

Q

E

G

A

Q

E

A

G

G

R

R

L

L

P

P

D

D

L

A

L

V

I

V

A

A

A

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

I

G

G

L

I

F

F

H

H

P

A

F

F

L

L

D

D

D

D

N

P

D

G

V

V

A

R

M

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

K

D

G

G

I

V

D

E

T

T

S

G

E

R

H

H

A

A

A

A

S

T

L

F

T

T

G

A

G

G

A

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

D

D

G

G

Q

Q

I

T

T

I

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

W

L

L

H

K

E

E

S

A

G

G

R

R

V

V

E

D

Y

Y

L

R

P

P

V

I

T

T

D

D

T

S

Q

E

A

A

L

M

D

D

A

A

F

F

Q

G

L

L

C

L

C

C

K

R

L

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

A

G

L

A

E

L

H

K

K

L

A

G

R

V

E

E

L

L

P

G

S

R

D

G

K

A

I

V

I

I

L

V

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

Y

E

T

T

V

A

A

A

Q

K

A

W

M

F

G

G

active site: K93 (= K96), E115 (= E118), S382 (= S385)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: H92 (= H95), K93 (= K96), T116 (= T119), G117 (= G120), A118 (= A121), Q120 (= Q123), H121 (= H124), T196 (= T199), G238 (= G241), G240 (= G243), S241 (= S244), N242 (= N245), G309 (= G312), E356 (= E359), S382 (= S385)

5tciH Crystal structure of tryptophan synthase from m. Tuberculosis - brd4592-bound form (see paper)
59% identity, 97% coverage: 9:400/403 of query aligns to 8:402/406 of 5tciH

query
sites
5tciH

N

H

Q

D

P

P

D

D

E

S

R

G

G

G

H

H

F

F

G

G

Q

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y

Y

V

V

A
x
P

E

E

T

A

L
|
L

M

M

P

A

L

V

I

I

L

E

D

E

L

V

E

T

R

A

E

A

Y

Y

R

Q

A

K

A

E

K

R

A

V

D

S

P

Q

A

D

F

F

Q

L

A

D

E

D

F

L

D

D

G

R

L

L

M

Q

K

A

H

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

L

L

Y

Y

F

E

A

A

E

T

R

R

L

L

T

S

R

Q

H

H

Y

A

G

G

G

S

A

A

K

R

I

I

Y

F

F

L

K

K

R

R

E

E

E

D

L

L

N

N

H

H

T

T

G

G

A

S

H

H

K
|
K

I

I

N

N

N

N

C

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

C

A

A

R

L

F

L

G

G

L

L

P

D

C

C

T

V

I

I

F

Y

M

M

G

G

A

G

K

I

D

D

I

T

E

A

R

R

Q

Q

Q

A

P

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

R

V

P

A

V

V

T

Q

S

T

G

G

S

S

Q

K

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

F

R

R

D

D

W

W

V

V

A

A

T

N

V

A

H

D

D

N

T

T

F

Y

Y
|
Y

I

C

I
x
F

G

G

T

T

A

A

A

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

E

T

L

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

T

M

E

E

S

A

R

R

A

V

Q

Q

M

I

L

Q

E

G

A

Q

E

A

G

G

R

R

L

L

P

P

D

D

L

A

L

V

I

V

A

A

A

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

I

G

G

L

I

F

F

H

H

P

A

F

F

L

L

D

D

D

D

N

P

D

G

V

V

A

R

M

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

K

D

G

G

I

V

D

E

T

T

S

G

E

R

H

H

A

A

A

A

S

T

L

F

T

T

G

A

G

G

A

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

D

D

G

G

Q

Q

I

T

T

I

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

W

L

L

H

K

E

E

S

A

G

G

R

R

V

V

E

D

Y

Y

L

R

P

P

V

I

T

T

D

D

T

S

Q

E

A

A

L

M

D

D

A

A

F

F

Q

G

L

L

C

L

C

C

K

R

L

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E

E

S

S

S

A

H

H

A

A

L

V

A

A

A

G

L

A

E

L

H

K

K

L

A

G

R

V

E

E

L

L

P

G

S

R

D

G

K

A

I

V

I

I

L

V

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

Y

E

T

T

V

A

A

A

Q

K

A

W

M

F

G

G

active site: K98 (= K96), E120 (= E118), S387 (= S385)
binding (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile: P28 (≠ A26), L31 (= L29), Y197 (= Y195), F199 (≠ I197), P205 (= P203), F208 (≠ Y206), H291 (= H289)

6uapB Crystal structure of tryptophan synthase from m. Tuberculosis - open form with brd6309 bound
59% identity, 97% coverage: 9:400/403 of query aligns to 7:401/405 of 6uapB

query
sites
6uapB

N

H

Q

D

P

P

D

D

E

S

R

G

G

G

H

H

F

F

G

G

Q

G

-

P

-

S

-

G

F

W

G

G

G

G

R

R

Y

Y

V

V

A

P

E

E

T

A

L

L

M

M

P

A

L

V

I

I

L

E

D

E

L

V

E

T

R

A

E

A

Y

Y

R

Q

A

K

A

E

K

R

A

V

D

S

P

Q

A

D

F

F

Q

L

A

D

E

D

F

L

D

D

G

R

L

L

M

Q

K

A

H

N

Y

Y

V

A

G

G

R

R

P

P

S

S

P

P

L

L

Y

Y

F

E

A

A

E

T

R

R

L

L

T

S

R

Q

H

H

Y

A

G

G

G

S

A

A

K

R

I

I

Y

F

F

L

K

K

R

R

E

E

E

D

L

L

N

N

H

H

T

T

G

G

A

S

H

H

K
|
K

I

I

N

N

N

N

C

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

C

A

A

R

L

F

L

G

G

L

L

P

D

C

C

T

V

I

I

F

Y

M

M

G

G

A

G

K

I

D

D

I

T

E

A

R

R

Q

Q

Q

A

P

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

R

V

P

A

V

V

T

Q

S

T

G

G

S

S

Q

K

S

T

L

L

K

K

D

D

A

A

M
x
I

N
|
N

E

E

A

A

L
x
F

R

R

D

D

W

W

V

V

A

A

T

N

V

A

H

D

D

N

T

T

F

Y

Y
|
Y

I

C

I
x
F

G

G

T

T

A

A

A

A

G

G

P
|
P

H

H

P

P

Y
x
F

P

P

E

T

L

M

V

V

R

R

D

D

F

F

Q

Q

S

R

V

I

I

I

G

G

T

M

E

E

S

A

R

R

A

V

Q

Q

M

I

L

Q

E

G

A

Q

E

A

G

G

R

R

L

L

P

P

D

D

L

A

L

V

I

V

A

A

A

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

I

G

G

L

I

F

F

H

H

P

A

F

F

L

L

D

D

D

D

N

P

D

G

V

V

A

R

M

L

V

V

G

G

V

F

E

E

A

A

A

A

G

G

K

D

G

G

I

V

D

E

T

T

S

G

E

R

H

H

A

A

A

A

S

T

L

F

T

T

G

A

G

G

A

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

D

D

G

G

Q

Q

I

T

T

I

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

W

L

L

H

K

E

E

S

A

G

G

R

R

V

V

E

D

Y

Y

L

R

P

P

V

I

T

T

D

D

T

S

Q

E

A

A

L

M

D

D

A

A

F

F

Q

G

L

L

C

L

C

C

K

R

L

M

E

E

G

G

I

I

I

I

P

P

A

A

L

I

E

E

S

S

S

A

H

H

A

A

L

V

A

A

A

G

L

A

E

L

H

K

K

L

A

G

R

V

E

E

L

L

P

G

S

R

D

G

K

A

I

V

I

I

L

V

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

V

Y

E

T

T

V

A

A

A

Q

K

A

W

M

F

G

G

active site: K97 (= K96), E119 (= E118), S386 (= S385)
binding (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: I180 (≠ M179), N181 (= N180), F184 (≠ L183), Y196 (= Y195), F198 (≠ I197), P204 (= P203), F207 (≠ Y206), H290 (= H289)

5dw0A Trpb from pyrococcus furiosus with l-serine bound as the external aldimine (see paper)
59% identity, 95% coverage: 17:400/403 of query aligns to 3:386/388 of 5dw0A

query
sites
5dw0A

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

I

P

E

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

I

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

V

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

A

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

D

E

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

T

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

Y

D

T

I

V

V

A

L

Q

K

A

V

M

S

G

G

active site: K82 (= K96), E104 (= E118), S371 (= S385)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine: H81 (= H95), K82 (= K96), T105 (= T119), G106 (= G120), A107 (= A121), Q109 (= Q123), H110 (= H124), S185 (≠ T199), G227 (= G241), G229 (= G243), S230 (= S244), N231 (= N245), G298 (= G312), D300 (= D314), E345 (= E359), S371 (= S385)

5t6mB Structure of the tryptophan synthase b-subunit from pyroccus furiosus with b-methyltryptophan non-covalently bound (see paper)
59% identity, 95% coverage: 17:400/403 of query aligns to 3:386/386 of 5t6mB

query
sites
5t6mB

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

I

P

E

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

I

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

V

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T

S

A

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

D

E

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

T

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

Y

D

T

I

V

V

A

L

Q

K

A

V

M

S

G

G

active site: K82 (= K96), E104 (= E118), S371 (= S385)
binding (betaS)-beta-methyl-L-tryptophan: K82 (= K96), E104 (= E118), T105 (= T119), A107 (= A121), Q109 (= Q123), H110 (= H124), G298 (= G312), Y301 (= Y315)

1v8zA X-ray crystal structure of the tryptophan synthase b2 subunit from hyperthermophile, pyrococcus furiosus (see paper)
59% identity, 95% coverage: 17:400/403 of query aligns to 3:386/386 of 1v8zA

query
sites
1v8zA

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

I

P

E

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

I

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

V

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

A

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G
|
G

G
|
G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

D

E

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

T

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S
|
S

G
|
G

R

R

G

G

D

D

K

K

D

D

I

L

Y

D

T

I

V

V

A

L

Q

K

A

V

M

S

G

G

active site: K82 (= K96), E104 (= E118), S371 (= S385)
binding pyridoxal-5'-phosphate: H81 (= H95), K82 (= K96), Q109 (= Q123), S185 (≠ T199), G227 (= G241), G228 (= G242), G229 (= G243), S230 (= S244), N231 (= N245), E345 (= E359), S371 (= S385), G372 (= G386)

6am8B Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9 with trp bound as e(aex2) (see paper)
59% identity, 95% coverage: 17:398/403 of query aligns to 3:384/385 of 6am8B

query
sites
6am8B

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A
x
P

E

E

T

T

L

L

M

V

P

G

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

V

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L
|
L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L
|
L

R

R

D

D

W

W

V

V

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

A

V

A
x
V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G
|
G

G
|
G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

D

E

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

A

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S
|
S

G
|
G

R

R

G

G

D

D

K

K

D

D

I

L

Y

D

T

I

V

V

A

L

Q

K

A

A

active site: K82 (= K96), E104 (= E118), S371 (= S385)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-l-tryptophane: H81 (= H95), K82 (= K96), E104 (= E118), T105 (= T119), G106 (= G120), A107 (= A121), Q109 (= Q123), H110 (= H124), L161 (= L175), S185 (≠ T199), V187 (≠ A201), G227 (= G241), G228 (= G242), G229 (= G243), S230 (= S244), N231 (= N245), G298 (= G312), Y301 (= Y315), E345 (= E359), S371 (= S385), G372 (= G386)
binding tryptophan: P12 (≠ A26), L169 (= L183), S274 (≠ L288), H275 (= H289)

7rnpA Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9_h275e with 4-cl-trp non-covalently bound (see paper)
59% identity, 95% coverage: 17:398/403 of query aligns to 3:384/384 of 7rnpA

query
sites
7rnpA

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

V

P

G

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

V

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L
|
L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

V

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

A

V

A
x
V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G

G

G
|
G

G

G

S

S

N

N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

D

E

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

A

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S

S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

Y

D

T

I

V

V

A

L

Q

K

A

A

binding 4-chloro-L-tryptophan: K82 (= K96), E104 (= E118), T105 (= T119), H110 (= H124), L161 (= L175), S185 (≠ T199), V187 (≠ A201), G228 (= G242), Y301 (= Y315)

6cutA Engineered holo trpb from pyrococcus furiosus, pftrpb7e6 with (2s,3s)- isopropylserine bound as the external aldimine (see paper)
59% identity, 95% coverage: 17:398/403 of query aligns to 3:384/385 of 6cutA

query
sites
6cutA

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

V

P

G

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

I

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

P

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L

A

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

E

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

A

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

D

E

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

T

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

Y

D

T

I

V

V

A

L

Q

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 (= H95), K82 (= K96), T105 (= T119), G106 (= G120), A107 (= A121), Q109 (= Q123), H110 (= H124), S185 (≠ T199), G227 (= G241), G229 (= G243), S230 (= S244), N231 (= N245), G298 (= G312), E345 (= E359), S371 (= S385)

5dw3A Tryptophan synthase beta-subunit from pyrococcus furiosus with product l-tryptophan non-covalently bound in the active site (see paper)
60% identity, 95% coverage: 17:397/403 of query aligns to 3:382/383 of 5dw3A

query
sites
5dw3A

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

I

P

E

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

I

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

V

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

A

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G

G

G
|
G

G

G

S

S

N

N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

D

-

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

T

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

Y

D

T

I

V

V

A

L

Q

K

active site: K82 (= K96), E104 (= E118), S370 (= S385)
binding tryptophan: K82 (= K96), E104 (= E118), T105 (= T119), G106 (= G120), A107 (= A121), Q109 (= Q123), H110 (= H124), S185 (≠ T199), G228 (= G242), Y300 (= Y315)

5ixjD Tryptophan synthase beta-subunit from pyrococcus furiosus with l- threonine non-covalently bound in the active site (see paper)
59% identity, 95% coverage: 17:400/403 of query aligns to 3:384/394 of 5ixjD

query
sites
5ixjD

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

I

P

E

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

I

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

V

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T

S

A

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

-

E

-

D

D

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

T

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

Y

D

T

I

V

V

A

L

Q

K

A

V

M

S

G

G

active site: K82 (= K96), E104 (= E118), S369 (= S385)
binding threonine: T105 (= T119), G106 (= G120), Q109 (= Q123), H110 (= H124), D298 (= D314)

6cuzA Engineered trpb from pyrococcus furiosus, pftrpb7e6 with (2s,3r)- ethylserine bound as the amino-acrylate (see paper)
59% identity, 94% coverage: 17:395/403 of query aligns to 3:381/383 of 6cuzA

query
sites
6cuzA

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

V

P

G

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

I

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

P

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L

A

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

E

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

A

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

D

E

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

T

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

Y

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 (= H95), K82 (= K96), T105 (= T119), G106 (= G120), A107 (= A121), Q109 (= Q123), H110 (= H124), S185 (≠ T199), G227 (= G241), G229 (= G243), S230 (= S244), N231 (= N245), G298 (= G312), E345 (= E359), S371 (= S385)

5vm5D Engineered tryptophan synthase b-subunit from pyrococcus furiosus, pftrpb2b9, with ser bound (see paper)
59% identity, 95% coverage: 17:398/403 of query aligns to 3:382/383 of 5vm5D

query
sites
5vm5D

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

V

P

G

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

V

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H
|
H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

V

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T
x
S

A

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G
|
G

G

G

G
|
G

S
|
S

N
|
N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

-

E

-

D

D

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

A

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E
|
E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

Y

D

T

I

V

V

A

L

Q

K

A

A

active site: K82 (= K96), E104 (= E118), S369 (= S385)
binding 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid: H81 (= H95), K82 (= K96), T105 (= T119), G106 (= G120), A107 (= A121), Q109 (= Q123), H110 (= H124), S185 (≠ T199), G227 (= G241), G229 (= G243), S230 (= S244), N231 (= N245), G296 (= G312), E343 (= E359), S369 (= S385)

5t6mA Structure of the tryptophan synthase b-subunit from pyroccus furiosus with b-methyltryptophan non-covalently bound (see paper)
59% identity, 95% coverage: 17:397/403 of query aligns to 3:381/383 of 5t6mA

query
sites
5t6mA

F

F

G

G

Q

E

F

F

G

G

G

G

R

Q

Y

Y

V

V

A

P

E

E

T

T

L

L

M

I

P

E

L

P

I

L

L

K

D

E

L

L

E

E

R

K

E

A

Y

Y

R

K

A

R

A

F

K

K

A

D

D

D

P

E

A

E

F

F

Q

N

A

R

E

Q

F

L

D

N

G

Y

L

Y

M

L

K

K

H

T

Y

W

V

A

G

G

R

R

P

P

S

T

P

P

L

L

Y

Y

F

Y

A

A

E

K

R

R

L

L

T

T

R

E

H

K

Y

I

G

G

G

G

A

A

K

K

I

I

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

V

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

N

C

A

I

I

G

G

Q

Q

I

A

L

L

L

L

A

A

I

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

V

A

C

G

A

A

R

L

F

L

G

G

L

M

P

K

C

V

T

D

I

I

F

Y

M

M

G

G

A

A

K

E

D

D

I

V

E

E

R

R

Q

Q

Q

K

P

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

R

I

P

P

V

V

T

N

S

S

G

G

S

S

Q

R

S

T

L

L

K

K

D

D

A

A

M

I

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

V

A

A

T

T

V

F

H

E

D

Y

T

T

F

H

Y

Y

I

L

I

I

G

G

T

S

A

V

A

V

G

G

P

P

H

H

P

P

Y

Y

P

P

E

T

L

I

V

V

R

R

D

D

F

F

Q

Q

S

S

V

V

I

I

G

G

T

R

E

E

S

A

R

K

A

A

Q

Q

M

I

L

L

E

E

A

A

E

E

G

G

R

Q

L

L

P

P

D

D

L

V

L

I

I

V

A

A

A

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

M

G

G

L

I

F

F

H

Y

P

P

F

F

L

V

D

N

D

D

N

K

D

K

V

V

A

K

M

L

V

V

G

G

V

V

E

E

A

A

A

G

G

G

K

K

G

G

I

L

D

E

T

S

S

G

E

K

H

H

A

S

A

A

S

S

L

L

T

N

G

A

G

G

A

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

-

E

-

D

D

G

G

Q

Q

I

I

T

K

E

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

I

V

G

G

P

P

E

E

H

H

S

A

W

Y

L

L

H

K

E

K

S

I

G

Q

R

R

V

A

E

E

Y

Y

L

V

P

T

V

V

T

T

D

D

T

E

Q

E

A

A

L

L

D

K

A

A

F

F

Q

H

L

E

C

L

C

S

K

R

L

T

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

A

H

H

A

A

L

V

A

A

A

Y

L

A

E

M

H

K

K

L

A

A

R

K

E

E

L

M

P

S

S

R

D

D

K

E

I

I

I

I

L

I

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

L

Y

D

T

I

V

V

A

L

Q

K

active site: K82 (= K96), E104 (= E118), S369 (= S385)
binding phosphate ion: K82 (= K96), T105 (= T119), G106 (= G120), A107 (= A121), Q109 (= Q123), H110 (= H124)

5kzmB Crystal structure of tryptophan synthase alpha-beta chain complex from francisella tularensis (see paper)
58% identity, 94% coverage: 16:395/403 of query aligns to 7:386/395 of 5kzmB

query
sites
5kzmB

H

Y

F

F

G

G

Q

E

F

Y

G

G

G

G

R

Q

Y

F

V

V

A

P

E

Q

T

I

L

L

M

V

P

P

L

A

I

L

L

D

D

Q

L

L

E

E

R

Q

E

E

Y

F

R

I

A

K

A

A

K

Q

A

A

D

D

P

E

A

S

F

F

Q

K

A

Q

E

E

F

F

D

K

G

E

L

L

M

L

K

Q

H

E

Y

Y

V

A

G

G

R

R

P

P

S

T

P

A

L

L

Y

T

F

K

A

T

E

R

R

N

L

I

T

V

R

K

H

N

Y

T

G

R

G

-

A

T

K

K

I

L

Y

Y

F

L

K

K

R

R

E

E

E

D

L

L

N

L

H

H

T

G

G

G

A

A

H

H

K
|
K

I

T

N

N

N

Q

C

V

I

L

G

G

Q

Q

I

A

L

L

L

L

A

A

I

K

R

R

M

M

G

G

K

K

K

K

R

E

I

I

I

I

A

A

E
|
E

T

T

G

G

A

A

G

G

Q

Q

H

H

G

G

V

V

A

A

T

T

A

A

T

L

V

A

C

C

A

A

R

L

F

L

G

D

L

L

P

K

C

C

T

R

I

V

F

Y

M

M

G

G

A

A

K

K

D

D

I

V

E

E

R

R

Q

Q

Q

S

P

P

N

N

V

V

F

F

R

R

M

M

K

K

L

L

L

M

G

G

A

A

E

E

V

V

R

I

P

P

V

V

T

H

S

S

G

G

S

S

Q

A

S

T

L

L

K

K

D

D

A

A

M

C

N

N

E

E

A

A

L

L

R

R

D

D

W

W

V

S

A

A

T

N

V

Y

H

S

D

K

T

A

F

H

Y

Y

I

L

I

L

G

G

T

T

A

A

A

A

G

G

P

P

H

H

P

P

Y

F

P

P

E

T

L

I

V

V

R

R

D

E

F

F

Q

Q

S

R

V

M

I

I

G

G

T

E

E

E

S

T

R

K

A

Q

Q

Q

M

M

L

L

E

A

A

K

E

E

G

G

R

R

L

L

P

P

D

D

L

A

L

V

I

I

A

A

A

C

V

V

G

G

G

G

G

G

S

S

N

N

A

A

I

I

G

G

L

M

F

F

H

A

P

D

F

F

L

I

D

D

D

E

N

K

D

N

V

V

A

K

M

L

V

I

G

G

V

V

E

E

A

P

A

A

G

G

K

K

G

G

I

I

D

E

T

T

S

G

E

E

H

H

A

G

A

A

S

P

L

L

T

K

G

H

G

G

A

K

P

T

G

G

I

I

L

F

H

F

G

G

N

M

K

K

T

A

Y

P

L

L

L

M

Q

Q

D

N

E

S

D

D

G

G

Q

Q

I

I

T

E

E
|
E

A
x
S

H

Y

S

S

I

I

S

S

A

A

G

G

L

L

D
|
D

Y

F

P

P

G

S

I

V

G

G

P

P

E

Q

H

H

S

A

W

H

L

L

H

L

E

A

S

I

G

G

R

R

V

A

E

K

Y

Y

L

A

P

S

V

A

T

T

D

D

T

D

Q

E

A

A

L

L

D

D

A

A

F

F

Q

K

L

L

C

L

C

C

K

K

L

K

E

E

G

G

I

I

I

I

P

P

A

A

L

L

E

E

S

S

S

S

H

H

A

A

L

L

A

A

A

H

L

A

E

L

H

K

K

L

A

A

R

Y

E

E

L

D

P

P

S

N

-

K

D

E

K

Q

I

L

I

L

L

V

V

V

N

N

V

L

S
|
S

G

G

R

R

G

G

D

D

K

K

D

D

I

I

Y

F

T

T

V

V

active site: K86 (= K96), E108 (= E118), S376 (= S385)
binding calcium ion: E295 (= E305), S296 (≠ A306), D304 (= D314)

P0A879 Tryptophan synthase beta chain; EC 4.2.1.20 from Escherichia coli (strain K12) (see 2 papers)
57% identity, 94% coverage: 16:395/403 of query aligns to 8:387/397 of P0A879

query
sites
P0A879

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C62 (≠ A70) active site, Nucleophile

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

Query Sequence

>Ga0059261_0238 FitnessBrowser__Korea:Ga0059261_0238
MNAPNSLRNQPDERGHFGQFGGRYVAETLMPLILDLEREYRAAKADPAFQAEFDGLMKHY
VGRPSPLYFAERLTRHYGGAKIYFKREELNHTGAHKINNCIGQILLAIRMGKKRIIAETG
AGQHGVATATVCARFGLPCTIFMGAKDIERQQPNVFRMKLLGAEVRPVTSGSQSLKDAMN
EALRDWVATVHDTFYIIGTAAGPHPYPELVRDFQSVIGTESRAQMLEAEGRLPDLLIAAV
GGGSNAIGLFHPFLDDNDVAMVGVEAAGKGIDTSEHAASLTGGAPGILHGNKTYLLQDED
GQITEAHSISAGLDYPGIGPEHSWLHESGRVEYLPVTDTQALDAFQLCCKLEGIIPALES
SHALAALEHKARELPSDKIILVNVSGRGDKDIYTVAQAMGAEI

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