SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_089300788.1 NCBI__GCF_900188115.1:WP_089300788.1 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)

6uapC Crystal structure of tryptophan synthase from m. Tuberculosis - open form with brd6309 bound
57% identity, 95% coverage: 2:257/270 of query aligns to 2:248/250 of 6uapC

query
sites
6uapC

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active site: E49 (= E49), D60 (= D60), Y173 (= Y173)
binding (2R,3S,4R)-3-(4'-chloro-2',6'-difluoro[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: D56 (= D56), G58 (≠ V58), D128 (= D128)

6usaA Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk1-bound form (see paper)
56% identity, 95% coverage: 2:257/270 of query aligns to 3:247/249 of 6usaA

query
sites
6usaA

S

S

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active site: E50 (= E49), D61 (= D60), Y174 (= Y173)
binding (3R,4R)-4-[4-(2-Chlorophenyl)piperazin-1-yl]-1,1-dioxothiolan-3-ol: G59 (≠ V58), D129 (= D128)

6u6cA Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk2-bound form (see paper)
56% identity, 95% coverage: 2:257/270 of query aligns to 3:247/249 of 6u6cA

query
sites
6u6cA

S

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active site: E50 (= E49), D61 (= D60), Y174 (= Y173)
binding 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide: Y55 (= Y54), G59 (≠ V58), M60 (= M59), Y101 (= Y100), D129 (= D128)

6dweA Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and brd0059-bound form
56% identity, 95% coverage: 2:257/270 of query aligns to 3:247/249 of 6dweA

query
sites
6dweA

S

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active site: E50 (= E49), D61 (= D60), Y174 (= Y173)
binding (2R,3S,4R)-3-(2',6'-difluoro-4'-methyl[1,1'-biphenyl]-4-yl)-4-(fluoromethyl)azetidine-2-carbonitrile: D57 (= D56), Y101 (= Y100)

5tciA Crystal structure of tryptophan synthase from m. Tuberculosis - brd4592-bound form (see paper)
56% identity, 95% coverage: 2:257/270 of query aligns to 3:247/249 of 5tciA

query
sites
5tciA

S

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Q

G

A

A

A

A

P

E

E

L

L

V

V

G

G

R

R

A

V

R

K

E

A

V

V

T

S

D

D

L

I

P

P

V

V

G

G

V

V

G

G

L

L

G

G

V

V

R

R

S

S

A

R

G

A

Q

Q

A

A

A

A

E

Q

V

I

A

A

S

Q

F

Y

A

A

D

D

A

G

V

V

I

I

V

V

G

G

S

S

A

A

F

L

V

V

S

T

R

A

A

L

D

T

S

E

G

G

T

L

R

P

A

R

V

L

R

R

D

A

L

L

A

T

A

G

E

E

L

L

A

A

D

A

G

G

V

V

R

R

active site: E50 (= E49), D61 (= D60), Y174 (= Y173)
binding (2R,3S,4R)-3-(2'-fluoro[1,1'-biphenyl]-4-yl)-4-(hydroxymethyl)azetidine-2-carbonitrile: D57 (= D56), G59 (≠ V58), D129 (= D128)

6u6cE Crystal structure of tryptophan synthase from m. Tuberculosis - aminoacrylate- and gsk2-bound form (see paper)
56% identity, 95% coverage: 2:257/270 of query aligns to 2:245/245 of 6u6cE

query
sites
6u6cE

S

S

G

R

L

L

D

G

A

P

V

V

F

F

A

D

A

S

A

C

R

R

S

A

E

N

Q

N

R

R

G

A

S

A

L

L

I

I

G

G

Y

Y

L

L

P

P

A

T

G

G

Y

Y

P

P

T

D

L

V

E

P

G

A

S

S

I

V

E

A

L

A

I

M

G

T

A

A

M

L

I

V

D

E

G

S

G

G

V

C

D

D

L

I

V

I

E
|
E

V

V

G

G

V

V

P

P

Y

Y

S

S

D

D

P

P

V
x
G

M
|
M

D
|
D

G

G

P

P

T

T

I

I

Q

A

A

R

A

A

A

T

G

E

T

A

A

A

L

L

R

R

N

G

G

G

F

V

R

R

L

V

R

R

D

D

V

T

F

L

T

A

V

A

V

V

E

E

S

A

V

I

A

S

A

I

R

A

G

G

G

G

H

R

A

A

V

V

V

V

M

M

T

T

Y
|
Y

W

W

N

N

P

P

V

V

H

L

R

R

Y

Y

G

G

V

V

D

D

A

A

F

F

A

A

R

R

D

D

L

L

A

A

A

A

A

A

G

G

G

G

H

L

G

G

L

L

I

I

T

T

P

P

D
|
D

L

L

I

I

P

P

D

D

E

E

A

A

E

Q

E

Q

W

W

L

L

A

A

A

A

S

S

A

E

A

E

H

H

E

R

L

L

S

D

R

R

T

I

F

F

L

L

I

V

S

A

P

P

S

S

S

S

S

T

R

P

A

E

R

R

I

L

E

A

R

A

A

T

A

V

G

E

A

A

S

S

T

R

G

G

F

F

L

V

Y
|
Y

A

A

T

A

A

S

V

-

M

-

G

-

V

-

T

-

G

-

A

-

R

-

D

-

Q

-

V

-

G

-

A

Q

G

A

A

A

A

P

E

E

L

L

V

V

G

G

R

R

A

V

R

K

E

A

V

V

T

S

D

D

L

I

P

P

V

V

G

G

V

V

G

G

L

L

G

G

V

V

R

R

S

S

A

R

G

A

Q

Q

A

A

A

A

E

Q

V

I

A

A

S

Q

F

Y

A

A

D

D

A

G

V

V

I

I

V

V

G

G

S

S

A

A

F

L

V

V

S

T

R

A

A

L

D

T

S

E

G

G

T

L

R

P

A

R

V

L

R

R

D

A

L

L

A

T

A

G

E

E

L

L

A

A

D
x
A

G
|
G

V

V

R
|
R

active site: E49 (= E49), D60 (= D60), Y173 (= Y173)
binding alanine: A242 (≠ D254), G243 (= G255), R245 (= R257)
binding 1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide: G58 (≠ V58), M59 (= M59), Y100 (= Y100), D128 (= D128)

5ey5A Lbcats
39% identity, 95% coverage: 1:257/270 of query aligns to 1:257/261 of 5ey5A

query
sites
5ey5A

M

M

S

N

G

R

L

I

D

A

A

E

V

A

F

F

A

E

A

E

A

L

R

K

S

K

E

K

Q

G

R

E

G

K

S

A

L

L

I

I

G

P

Y

F

L

I

P

T

A

A

G

G

Y

D

P

P

T

D

L

L

E

E

G

T

S

T

I

L

E

E

L

L

I

V

G

R

A

A

M

L

I

V

D

E

G

A

G

G

V

A

D

D

L

I

V

I

E
|
E

V

L

G

G

V

I

P

P

Y

F

S

S

D

D

P

P

V

L

M

A

D

D

G

G

P

P

T

T

I
|
I

Q

Q

A

R

A

A

A

S

G

Q

T

R

A

A

L

L

R

A

N

S

G

G

F

T

R

T

L

L

R

D

D

K

V

V

F

F

T

E

V

M

V

V

E

R

S

E

V

L

A

R

A

E

R

K

G

N

G

T

H

D

A

V

-

P

-

I

V

V

V

F

M

L

T

T

Y

Y

W

Y

N

N

P

P

V

I

H

F

R

R

Y

Y

G

G

V

I

D

E

A

R

F

F

A

V

R

K

D

E

L

C

A

A

A

E

A

A

G

G

G

V

H

D

G

G

L

L

I

I

T

V

P

P

D

D

L

L

I

P

P

P

D

E

E

E

A

A

E

A

E

D

W

L

L

A

A

A

A

A

S

A

A

E

A

K

H

Y

E

G

L

V

S

D

R

L

T

I

F

F

L

L

I

V

S

A

P

P

S

T

S

S

S

T

R

D

A

E

R

R

I

I

E

K

R

M

A

I

A

A

G

K

A

H

S

A

T

S

G

G

F

F

L

V

Y
|
Y

A

C

T

V

A

S

V

V

M

T

G

G

V

V

T

T

G
|
G

A

A

R

R

D

S

Q

E

V

-

G

-

A

-

G

-

A

-

A

-

E

-

L

-

V

I

G

S

R

R

A

I

R

R

E

K

V

H

T

T

D

D

L

L

P

P

V

I

G

A

V

V

G

G

L
x
F

G
|
G

V

I

R

S

S

T

A

P

G

E

Q

Q

A

A

A

A

E

E

V

V

A

A

S

Q

F

V

A

A

D

D

A

G

V

V

I

I

V

V

G
|
G

S
|
S

A

A

F

I

V

V

S

K

R

R

A

I

D

E

S

E

G

N

-

Q

-

D

-

E

-

E

-

D

-

I

T

V

R

E

A

E

V

V

R

R

D

E

L

F

A

V

A

R

E

E

L

L

A

R

D

E

G

A

V

V

R

K

binding sn-glycerol-3-phosphate: E49 (= E49), I64 (= I64), Y175 (= Y173), G184 (= G182), F204 (≠ L210), G205 (= G211), G225 (= G231), S226 (= S232)

8b08A Tryptophan synthase - cryo-trapping by the spitrobot crystal plunger after 30 sec (see paper)
28% identity, 97% coverage: 1:261/270 of query aligns to 2:265/269 of 8b08A

query
sites
8b08A

M

M

S

E

G

R

L

Y

D

E

A

N

V

L

F

F

A

A

A

Q

A

L

R

N

S

D

E

R

Q

R

R

E

G

G

S

A

L

F

I

V

G

P

Y
x
F

L

V

P

T

A

L

G

G

Y

D

P

P

T

G

L

I

E

E

G

Q

S

S

I

L

E

K

L

I

I

I

G

D

A

T

M

L

I

I

D

D

G

A

G

G

V

A

D

D

L

A

V

L

E

E

V

L

G

G

V

V

P

P

Y

F

S

S

D

D

P

P

V

L

M

A

D

D

G

G

P

P

T

T

I

I

Q

Q

A

N

A

A

A

N

G

L

T

R

A

A

L

F

R

A

N

A

G

G

F

V

R

T

L

P

R

A

D

Q

V

C

F

F

T

E

V

M

V

L

E

A

S

L

V

I

A

-

A

-

R

R

G

E

G

K

H

H

A

P

V

T

V

I

-

P

-

I

-

G

-

L

M

L

T

M

Y

Y

W

A

N

N

P

L

V

V

H

F

R

N

Y

N

G

G

V

I

D

D

A

A

F

F

A

Y

R

A

D

R

L

C

A

E

A

Q

A

V

G

G

G

V

H

D

G

S

L

V

I

L

T

V

P

A

D

D

L

V

I

P

P

V

D

E

E

E

A

S

E

A

E

P

W

F

L

R

A

Q

A

A

S

A

A

L

A

R

H

H

E

N

L

I

S

A

R

P

T

I

F

F

L

I

I

C

S

P

P

P

S

N

S

A

S

D

R

D

A

D

R

L

I

L

E

R

R

Q

A

V

A

A

G

S

A

Y

S

G

T

R

G

G

F

Y

L

T

Y
|
Y

A

L

T

L

A

S

V

R

M

S

G

G

V

V

T
|
T

G
|
G

A

A

R

E

D

N

Q

R

V

G

G

A

A

L

G

P

A

L

A

H

E

H

L

L

V

I

G

E

R

K

A

L

R

K

E

E

V

Y

T

H

D

A

L

A

P

P

V

A

G

L

V

Q

G

G

L
x
F

G

G

V

I

R

S

S

S

A

P

G

E

Q

Q

A

V

A

S

-

A

E

A

V

V

A

R

S

A

F

G

A

A

D

A

A

G

V

A

I

I

V
x
S

G
|
G

S
|
S

A

A

F

I

V

V

S

K

R

I

A

I

D

E

S

K

G

N

T

L

R

A

A

S

V

P

R

K

D

Q

L

M

A

L

A

A

E

E

L

L

A

R

D

S

G

F

V

V

R

S

A

A

P

M

S

K

A

A

binding sn-glycerol-3-phosphate: F23 (≠ Y22), Y176 (= Y173), T184 (= T181), G185 (= G182), F213 (≠ L210), S234 (≠ V230), G235 (= G231), S236 (= S232)

2clkA Tryptophan synthase in complex with d-glyceraldehyde 3- phosphate (g3p) (see paper)
28% identity, 97% coverage: 1:261/270 of query aligns to 1:264/267 of 2clkA

query
sites
2clkA

M

M

S

E

G

R

L

Y

D

E

A

N

V

L

F

F

A

A

A

Q

A

L

R

N

S

D

E

R

Q

R

R

E

G

G

S

A

L

F

I

V

G

P

Y
x
F

L

V

P

T

A

L

G

G

Y

D

P

P

T

G

L

I

E

E

G

Q

S

S

I

L

E

K

L

I

I

I

G

D

A

T

M

L

I

I

D

D

G

A

G

G

V

A

D

D

L

A

V

L

E
|
E

V

L

G

G

V

V

P

P

Y

F

S

S

D

D

P

P

V

L

M

A

D
|
D

G

G

P

P

T

T

I
|
I

Q

Q

A

N

A

A

A

N

G

L

T

R

A

A

L

F

R

A

N

A

G

G

F

V

R

T

L

P

R

A

D

Q

V

C

F

F

T

E

V

M

V

L

E

A

S

I

V

I

A

-

A

-

R

R

G

E

G

K

H

H

A

P

V

T

V

I

-

P

-

I

-

G

-

L

M
x
L

T

M

Y

Y

W

A

N

N

P

L

V

V

H

F

R

N

Y

N

G

G

V

I

D

D

A

A

F

F

A

Y

R

A

D

R

L

C

A

E

A

Q

A

V

G

G

G

V

H

D

G

S

L

V

I

L

T

V

P

A

D

D

L

V

I

P

P

V

D

E

E

E

A

S

E

A

E

P

W

F

L

R

A

Q

A

A

S

A

A

L

A

R

H

H

E

N

L

I

S

A

R

P

T

I

F

F

L

I

I

C

S

P

P

P

S

N

S

A

S

D

R

D

A

D

R

L

I

L

E

R

R

Q

A

V

A

A

G

S

A

Y

S

G

T

R

G

G

F

Y

L

T

Y
|
Y

A

L

T

L

A

S

V

R

M

S

G

G

V

V

T
|
T

G
|
G

A

A

R

E

D

N

Q

R

V

G

G

A

A

L

G

P

A

L

A

H

E

H

L

L

V

I

G

E

R

K

A

L

R

K

E

E

V

Y

T

H

D

A

L

A

P

P

V

A

G

L

V

Q

G

G

L
x
F

G
|
G

V

I

R

S

S

S

A

P

G

E

Q

Q

A

V

A

S

-

A

E

A

V

V

A

R

S

A

F

G

A

A

D

A

A

G

V

A

I

I

V

S

G
|
G

S
|
S

A

A

F

I

V

V

S

K

R

I

A

I

D

E

S

K

G

N

T

L

R

A

A

S

V

P

R

K

D

Q

L

M

A

L

A

A

E

E

L

L

A

R

D

S

G

F

V

V

R

S

A

A

P

M

S

K

A

A

active site: E49 (= E49), D60 (= D60), Y175 (= Y173)
binding glyceraldehyde-3-phosphate: F22 (≠ Y22), I64 (= I64), L100 (≠ M98), Y175 (= Y173), T183 (= T181), G184 (= G182), F212 (≠ L210), G213 (= G211), G234 (= G231), S235 (= S232)

1k3uA Crystal structure of wild-type tryptophan synthase complexed with n- [1h-indol-3-yl-acetyl]aspartic acid (see paper)
28% identity, 97% coverage: 1:261/270 of query aligns to 1:264/268 of 1k3uA

query
sites
1k3uA

M

M

S

E

G

R

L

Y

D

E

A

N

V

L

F

F

A

A

A

Q

A

L

R

N

S

D

E

R

Q

R

R

E

G

G

S

A

L

F

I

V

G

P

Y
x
F

L

V

P

T

A

L

G

G

Y

D

P

P

T

G

L

I

E

E

G

Q

S

S

I

L

E

K

L

I

I

I

G

D

A

T

M

L

I

I

D

D

G

A

G

G

V

A

D

D

L

A

V

L

E
|
E

V

L

G

G

V

V

P

P

Y

F

S

S

D

D

P

P

V

L

M

A

D
|
D

G

G

P

P

T

T

I
|
I

Q

Q

A

N

A

A

A

N

G

L

T

R

A

A

L

F

R

A

N

A

G

G

F

V

R

T

L

P

R

A

D

Q

V

C

F

F

T

E

V

M

V

L

E

A

S

L

V

I

A

-

A

-

R

R

G

E

G

K

H

H

A

P

V

T

V

I

-

P

-

I

-

G

-

L

M
x
L

T

M

Y

Y

W

A

N

N

P

L

V

V

H

F

R

N

Y

N

G

G

V

I

D

D

A

A

F

F

A

Y

R

A

D

R

L

C

A

E

A

Q

A

V

G

G

G

V

H

D

G

S

L

V

I

L

T

V

P

A

D

D

L

V

I

P

P

V

D

E

E

E

A

S

E

A

E

P

W

F

L

R

A

Q

A

A

S

A

A

L

A

R

H

H

E

N

L

I

S

A

R

P

T

I

F

F

L

I

I

C

S

P

P

P

S

N

S

A

S

D

R

D

A

D

R

L

I

L

E

R

R

Q

A

V

A

A

G

S

A

Y

S

G

T

R

G

G

F

Y

L

T

Y
|
Y

A

L

T

L

A

S

V

R

M

S

G

G

V

V

T
|
T

G
|
G

A

A

R

E

D

N

Q

R

V

G

G

A

A

L

G

P

A

L

A

H

E

H

L

L

V

I

G

E

R

K

A

L

R

K

E

E

V

Y

T

H

D

A

L

A

P

P

V

A

G

L

V

Q

G

G

L
x
F

G
|
G

V
x
I

R

S

S

S

A

P

G

E

Q

Q

A

V

A

S

-

A

E

A

V

V

A

R

S

A

F

G

A

A

D

A

A

G

V

A

I
|
I

V
x
S

G
|
G

S
|
S

A

A

F

I

V

V

S

K

R

I

A

I

D

E

S

K

G

N

T

L

R

A

A

S

V

P

R

K

D

Q

L

M

A

L

A

A

E

E

L

L

A

R

D

S

G

F

V

V

R

S

A

A

P

M

S

K

A

A

active site: E49 (= E49), D60 (= D60), Y175 (= Y173)
binding n-[1h-indol-3-yl-acetyl]aspartic acid: F22 (≠ Y22), D60 (= D60), I64 (= I64), L100 (≠ M98), Y175 (= Y173), T183 (= T181), G184 (= G182), F212 (≠ L210), G213 (= G211), I214 (≠ V212), I232 (= I229), S233 (≠ V230), G234 (= G231), S235 (= S232)

1tjpA Crystal structure of wild-type tryptophan synthase complexed with 1- [(2-hydroxylphenyl)amino]3-glycerolphosphate (see paper)
28% identity, 97% coverage: 1:261/270 of query aligns to 1:264/267 of 1tjpA

query
sites
1tjpA

M

M

S

E

G

R

L

Y

D

E

A

N

V

L

F

F

A

A

A

Q

A

L

R

N

S

D

E

R

Q

R

R

E

G

G

S

A

L

F

I

V

G

P

Y

F

L

V

P

T

A

L

G

G

Y

D

P

P

T

G

L

I

E

E

G

Q

S

S

I

L

E

K

L

I

I

I

G

D

A

T

M

L

I

I

D

D

G

A

G

G

V

A

D

D

L

A

V

L

E
|
E

V

L

G

G

V

V

P

P

Y

F

S

S

D

D

P

P

V

L

M

A

D
|
D

G

G

P

P

T

T

I
|
I

Q

Q

A

N

A

A

A

N

G

L

T

R

A

A

L

F

R

A

N

A

G

G

F

V

R

T

L

P

R

A

D

Q

V

C

F

F

T

E

V

M

V

L

E

A

S

L

V

I

A

-

A

-

R

R

G

E

G

K

H

H

A

P

V

T

V

I

-

P

-

I

-

G

-

L

M
x
L

T

M

Y

Y

W

A

N

N

P

L

V

V

H

F

R

N

Y

N

G

G

V

I

D

D

A

A

F

F

A

Y

R

A

D

R

L

C

A

E

A

Q

A

V

G

G

G

V

H

D

G

S

L

V

I

L

T

V

P

A

D

D

L

V

I

P

P

V

D

E

E

E

A

S

E

A

E

P

W

F

L

R

A

Q

A

A

S

A

A

L

A

R

H

H

E

N

L

I

S

A

R

P

T

I

F

F

L

I

I

C

S

P

P

P

S

N

S

A

S

D

R

D

A

D

R

L

I

L

E

R

R

Q

A

V

A

A

G

S

A

Y

S

G

T

R

G

G

F

Y

L

T

Y
|
Y

A

L

T

L

A

S

V

R

M

S

G

G

V

V

T
|
T

G
|
G

A

A

R

E

D

N

Q

R

V

G

G

A

A

L

G

P

A

L

A

H

E

H

L

L

V

I

G

E

R

K

A

L

R

K

E

E

V

Y

T

H

D

A

L

A

P

P

V

A

G

L

V

Q

G

G

L
x
F

G
|
G

V

I

R

S

S

S

A

P

G

E

Q

Q

A

V

A

S

-

A

E

A

V

V

A

R

S

A

F

G

A

A

D

A

A

G

V

A

I

I

V

S

G
|
G

S
|
S

A

A

F

I

V

V

S

K

R

I

A

I

D

E

S

K

G

N

T

L

R

A

A

S

V

P

R

K

D

Q

L

M

A

L

A

A

E

E

L

L

A

R

D

S

G

F

V

V

R

S

A

A

P

M

S

K

A

A

active site: E49 (= E49), D60 (= D60), Y175 (= Y173)
binding 1-[(2-hydroxylphenyl)amino]3-glycerolphosphate: E49 (= E49), D60 (= D60), I64 (= I64), L100 (≠ M98), Y175 (= Y173), T183 (= T181), G184 (= G182), F212 (≠ L210), G213 (= G211), G234 (= G231), S235 (= S232)

7jllA The internal aldimine crystal structure of salmonella typhimurium tryptophan synthase mutant beta-s377a in complex with inhibitor 2- ({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate (f9f) at the alpha-site, cesium ion at the metal coordination site and l-tryptophan at the enzyme beta-site
28% identity, 95% coverage: 5:261/270 of query aligns to 4:263/267 of 7jllA

query
sites
7jllA

D

E

A

N

V

L

F

F

A

A

A

Q

A

L

R

N

S

D

E

R

Q

R

R

E

G

G

S

A

L

F

I

V

G

P

Y
x
F

L

V

P

T

A

L

G

G

Y

D

P

P

T

G

L

I

E

E

G

Q

S

S

I

L

E

K

L

I

I

I

G

D

A

T

M

L

I

I

D

D

G

A

G

G

V

A

D

D

L

A

V

L

E

E

V

L

G

G

V

V

P

P

Y

F

S

S

D

D

P

P

V

L

M

A

D

D

G

G

P

P

T

T

I

I

Q

Q

A

N

A

A

A

N

G

L

T

R

A

A

L

F

R

A

N

A

G

G

F

V

R

T

L

P

R

A

D

Q

V

C

F

F

T

E

V

M

V

L

E

A

S

L

V

I

A

-

A

-

R

R

G

E

G

K

H

H

A

P

V

T

V

I

-

P

-

I

-

G

-

L

M
x
L

T

M

Y

Y

W

A

N

N

P

L

V

V

H

F

R

N

Y

N

G

G

V

I

D

D

A

A

F

F

A

Y

R

A

D

R

L

C

A

E

A

Q

A

V

G

G

G

V

H

D

G

S

L

V

I
x
L

T

V

P
x
A

D

D

L

V

I

P

P

V

D

E

E

E

A

S

E

A

E

P

W

F

L

R

A

Q

A

A

S

A

A

L

A

R

H

H

E

N

L

I

S

A

R

P

T

I

F

F

L
x
I

I

C

S

P

P
|
P

S
x
N

S

A

S

D

R

D

A

D

R

L

I

L

E

R

R

Q

A

V

A

A

G

S

A

Y

S

G

T

R

G

G

F

Y

L

T

Y
|
Y

A

L

T

L

A

S

V
x
R

M
x
S

G

G

V

V

T
|
T

G
|
G

A

A

R

E

D

N

Q

R

V

G

G

A

A
x
L

G

P

A

L

A

H

E

H

L

L

V

I

G

E

R

K

A

L

R

K

E

E

V

Y

T

H

D

A

L

A

P

P

V

A

G

L

V

Q

G

G

L
x
F

G
|
G

V

I

R

S

S

S

A

P

G

E

Q

Q

A

V

A

S

-

A

E

A

V

V

A

R

S

A

F

G

A

A

D

A

A

G

V

A

I

I

V

S

G
|
G

S
|
S

A

A

F

I

V

V

S

K

R

I

A

I

D

E

S

K

G

N

T

L

R

A

A

S

V

P

R

K

D

Q

L

M

A

L

A

A

E

E

L

L

A

R

D

S

G

F

V

V

R

S

A

A

P

M

S

K

A

A

binding 2-({[4-(trifluoromethoxy)phenyl]sulfonyl}amino)ethyl dihydrogen phosphate: F21 (≠ Y22), L99 (≠ M98), L126 (≠ I125), A128 (≠ P127), I152 (≠ L151), Y174 (= Y173), T182 (= T181), G183 (= G182), F211 (≠ L210), G212 (= G211), G233 (= G231), S234 (= S232)
binding tryptophan: P155 (= P154), N156 (≠ S155), R178 (≠ V177), S179 (≠ M178), L190 (≠ A189)

6xncA Salmonella typhimurium tryptophan synthase complexed with l-tryptophan and d-glycerol-3-phosphate (see paper)
28% identity, 95% coverage: 5:261/270 of query aligns to 4:263/267 of 6xncA

query
sites
6xncA

D

E

A

N

V

L

F

F

A

A

A

Q

A

L

R

N

S

D

E

R

Q

R

R

E

G

G

S

A

L

F

I

V

G

P

Y
x
F

L

V

P

T

A

L

G

G

Y

D

P

P

T

G

L

I

E

E

G

Q

S

S

I

L

E

K

L

I

I

I

G

D

A

T

M

L

I

I

D

D

G

A

G

G

V

A

D

D

L

A

V

L

E

E

V

L

G

G

V

V

P

P

Y

F

S

S

D

D

P

P

V

L

M

A

D

D

G

G

P

P

T

T

I

I

Q

Q

A

N

A

A

A

N

G

L

T

R

A

A

L

F

R

A

N

A

G

G

F

V

R

T

L

P

R

A

D

Q

V

C

F

F

T

E

V

M

V

L

E

A

S

L

V

I

A

-

A

-

R

R

G

E

G

K

H

H

A

P

V

T

V

I

-

P

-

I

-

G

-

L

M
x
L

T

M

Y

Y

W

A

N

N

P

L

V

V

H

F

R

N

Y

N

G

G

V

I

D

D

A

A

F

F

A

Y

R

A

D

R

L

C

A

E

A

Q

A

V

G

G

G

V

H

D

G

S

L

V

I

L

T

V

P

A

D

D

L

V

I

P

P

V

D

E

E

E

A

S

E

A

E

P

W

F

L

R

A

Q

A

A

S

A

A

L

A

R

H

H

E

N

L

I

S

A

R

P

T

I

F

F

L

I

I

C

S

P

P

P

S

N

S

A

S

D

R

D

A

D

R

L

I

L

E

R

R

Q

A

V

A

A

G

S

A

Y

S

G

T

R

G

G

F

Y

L

T

Y
|
Y

A

L

T

L

A

S

V

R

M

S

G

G

V

V

T
|
T

G
|
G

A

A

R

E

D

N

Q

R

V

G

G

A

A

L

G

P

A

L

A

H

E

H

L

L

V

I

G

E

R

K

A

L

R

K

E

E

V

Y

T

H

D

A

L

A

P

P

V

A

G

L

V

Q

G

G

L
x
F

G
|
G

V

I

R

S

S

S

A

P

G

E

Q

Q

A

V

A

S

-

A

E

A

V

V

A

R

S

A

F

G

A

A

D

A

A

G

V

A

I

I

V

S

G
|
G

S
|
S

A

A

F

I

V

V

S

K

R

I

A

I

D

E

S

K

G

N

T

L

R

A

A

S

V

P

R

K

D

Q

L

M

A

L

A

A

E

E

L

L

A

R

D

S

G

F

V

V

R

S

A

A

P

M

S

K

A

A

binding sn-glycerol-1-phosphate: F21 (≠ Y22), L99 (≠ M98), Y174 (= Y173), T182 (= T181), G183 (= G182), F211 (≠ L210), G212 (= G211), G233 (= G231), S234 (= S232)

3cepA Structure of a tryptophan synthase quinonoid intermediate (see paper)
28% identity, 95% coverage: 5:261/270 of query aligns to 4:263/266 of 3cepA

query
sites
3cepA

D

E

A

N

V

L

F

F

A

A

A

Q

A

L

R

N

S

D

E

R

Q

R

R

E

G

G

S

A

L

F

I

V

G

P

Y
x
F

L

V

P

T

A

L

G

G

Y

D

P

P

T

G

L

I

E

E

G

Q

S

S

I

L

E

K

L

I

I

I

G

D

A

T

M

L

I

I

D

D

G

A

G

G

V

A

D

D

L

A

V

L

E
|
E

V

L

G

G

V

V

P

P

Y

F

S

S

D

D

P

P

V

L

M

A

D
|
D

G

G

P

P

T

T

I
|
I

Q

Q

A

N

A

A

A

N

G

L

T

R

A

A

L

F

R

A

N

A

G

G

F

V

R

T

L

P

R

A

D

Q

V

C

F

F

T

E

V

M

V

L

E

A

S

I

V

I

A

-

A

-

R

R

G

E

G

K

H

H

A

P

V

T

V

I

-

P

-

I

-

G

-

L

M
x
L

T

M

Y

Y

W

A

N

N

P

L

V

V

H

F

R

N

Y

N

G

G

V

I

D

D

A

A

F

F

A

Y

R

A

D

R

L

C

A

E

A

Q

A

V

G

G

G

V

H

D

G

S

L

V

I

L

T

V

P

A

D

D

L

V

I

P

P

V

D

E

E

E

A

S

E

A

E

P

W

F

L

R

A

Q

A

A

S

A

A

L

A

R

H

H

E

N

L

I

S

A

R

P

T

I

F

F

L

I

I

C

S

P

P

P

S

N

S

A

S

D

R

D

A

D

R

L

I

L

E

R

R

Q

A

V

A

A

G

S

A

Y

S

G

T

R

G

G

F

Y

L

T

Y
|
Y

A

L

T

L

A

S

V

R

M

S

G

G

V

V

T
|
T

G

G

A

A

R

E

D

N

Q

R

V

G

G

A

A

L

G

P

A

L

A

H

E

H

L

L

V

I

G

E

R

K

A

L

R

K

E

E

V

Y

T

H

D

A

L

A

P

P

V

A

G

L

V

Q

G

G

L
x
F

G
|
G

V

I

R

S

S

S

A

P

G

E

Q

Q

A

V

A

S

-

A

E

A

V

V

A

R

S

A

F

G

A

A

D

A

A

G

V

A

I

I

V

S

G
|
G

S
|
S

A

A

F

I

V

V

S

K

R

I

A

I

D

E

S

K

G

N

T

L

R

A

A

S

V

P

R

K

D

Q

L

M

A

L

A

A

E

E

L

L

A

R

D

S

G

F

V

V

R

S

A

A

P

M

S

K

A

A

active site: E48 (= E49), D59 (= D60), Y174 (= Y173)
binding sn-glycerol-3-phosphate: E48 (= E49), I63 (= I64), Y174 (= Y173), T182 (= T181), F211 (≠ L210), G212 (= G211), G233 (= G231), S234 (= S232)
binding indoline: F21 (≠ Y22), E48 (= E49), L99 (≠ M98), Y174 (= Y173), T182 (= T181), F211 (≠ L210)

2trsA Crystal structures of mutant (betak87t) tryptophan synthase alpha2 beta2 complex with ligands bound to the active sites of the alpha and beta subunits reveal ligand-induced conformational changes (see paper)
28% identity, 97% coverage: 1:261/270 of query aligns to 1:258/262 of 2trsA

query
sites
2trsA

M

M

S

E

G

R

L

Y

D

E

A

N

V

L

F

F

A

A

A

Q

A

L

R

N

S

D

E

R

Q

R

R

E

G

G

S

A

L

F

I

V

G

P

Y
x
F

L

V

P

T

A

L

G

G

Y

D

P

P

T

G

L

I

E

E

G

Q

S

S

I

L

E

K

L

I

I

I

G

D

A

T

M

L

I

I

D

D

G

A

G

G

V

A

D

D

L

A

V

L

E
|
E

V

L

G

G

V

V

P

P

Y

F

S

S

D

D

P

P

V

L

M
x
A

D
|
D

G

G

P

P

T

T

I

I

Q

Q

A

N

A

A

A

N

G

L

T

R

A

A

L

F

R

A

N

A

G

G

F

V

R

T

L

P

R

A

D

Q

V

C

F

F

T

E

V

M

V

L

E

A

S

L

V

I

A

-

A

-

R

R

G

E

G

K

H

H

A

P

V

T

V

I

-

P

-

I

-

G

-

L

M

L

T

M

Y

Y

W

A

N

N

P

L

V

V

H

F

R

N

Y

N

G

G

V

I

D

D

A

A

F

F

A

Y

R

A

D

R

L

C

A

E

A

Q

A

V

G

G

G

V

H

D

G

S

L

V

I

L

T

V

P

A

D

D

L

V

I

P

P

V

D

E

E

E

A

S

E

A

E

P

W

F

L

R

A

Q

A

A

S

A

A

L

A

R

H

H

E

N

L

I

S

A

R

P

T

I

F

F

L

I

I

C

S

P

P

P

S

N

S

A

S

D

R

D

A

D

R

L

I

L

E

R

R

Q

A

V

A

A

G

S

A

Y

S

G

T

R

G

G

F

Y

L

T

Y
|
Y

A

L

T

L

A

S

V

R

M

S

G

G

V

V

T
|
T

G

G

A

A

R

E

D

N

Q

H

V

-

G

-

A

-

G

-

A

-

A

-

E

H

L

L

V

I

G

E

R

K

A

L

R

K

E

E

V

Y

T

H

D

A

L

A

P

P

V

A

G

L

V

Q

G

G

L
x
F

G

G

V

I

R

S

S

S

A

P

G

E

Q

Q

A

V

A

S

-

A

E

A

V

V

A

R

S

A

F

G

A

A

D

A

A

G

V

A

I

I

V

S

G

G

S
|
S

A

A

F

I

V

V

S

K

R

I

A

I

D

E

S

K

G

N

T

L

R

A

A

S

V

P

R

K

D

Q

L

M

A

L

A

A

E

E

L

L

A

R

D

S

G

F

V

V

R

S

A

A

P

M

S

K

A

A

active site: E49 (= E49), D60 (= D60), Y175 (= Y173)
binding indole-3-propanol phosphate: F22 (≠ Y22), A59 (≠ M59), D60 (= D60), Y175 (= Y173), T183 (= T181), F206 (≠ L210), S229 (= S232)

1a50A Crystal structure of wild-type tryptophan synthase complexed with 5- fluoroindole propanol phosphate (see paper)
28% identity, 95% coverage: 5:261/270 of query aligns to 4:257/260 of 1a50A

query
sites
1a50A

D

E

A

N

V

L

F

F

A

A

A

Q

A

L

R

N

S

D

E

R

Q

R

R

E

G

G

S

A

L

F

I

V

G

P

Y
x
F

L

V

P

T

A

L

G

G

Y

D

P

P

T

G

L

I

E

E

G

Q

S

S

I

L

E

K

L

I

I

I

G

D

A

T

M

L

I

I

D

D

G

A

G

G

V

A

D

D

L

A

V

L

E
|
E

V

L

G

G

V

V

P

P

Y

F

S

S

D

D

P

P

V

L

M

A

D
|
D

G

G

P

P

T

T

I

I

Q

Q

A

N

A

A

A

N

G

L

T

R

A

A

L

F

R

A

N

A

G

G

F

V

R

T

L

P

R

A

D

Q

V

C

F

F

T

E

V

M

V

L

E

A

S

L

V

I

A

-

A

-

R

R

G

E

G

K

H

H

A

P

V

T

V

I

-

P

-

I

-

G

-

L

M
x
L

T

M

Y
|
Y

W

A

N

N

P

L

V

V

H

F

R

N

Y

N

G

G

V

I

D

D

A

A

F

F

A

Y

R

A

D

R

L

C

A

E

A

Q

A

V

G

G

G

V

H

D

G

S

L

V

I

L

T

V

P

A

D

D

L

V

I

P

P

V

D

E

E

E

A

S

E

A

E

P

W

F

L

R

A

Q

A

A

S

A

A

L

A

R

H

H

E

N

L

I

S

A

R

P

T

I

F

F

L

I

I

C

S

P

P

P

S

N

S

A

S

D

R

D

A

D

R

L

I

L

E

R

R

Q

A

V

A

A

G

S

A

Y

S

G

T

R

G

G

F
x
Y

L

T

Y
|
Y

A

L

T

L

A

S

V

R

M

S

G

G

V

V

T
|
T

G

G

A

A

R

E

D

N

Q

H

V

-

G

-

A

-

G

-

A

-

A

-

E

H

L

L

V

I

G

E

R

K

A

L

R

K

E

E

V

Y

T

H

D

A

L

A

P

P

V

A

G

L

V

Q

G

G

L
x
F

G
|
G

V

I

R

S

S

S

A

P

G

E

Q

Q

A

V

A

S

-

A

E

A

V

V

A

R

S

A

F

G

A

A

D

A

A

G

V

A

I

I

V
x
S

G
|
G

S
|
S

A

A

F

I

V

V

S

K

R

I

A

I

D

E

S

K

G

N

T

L

R

A

A

S

V

P

R

K

D

Q

L

M

A

L

A

A

E

E

L

L

A

R

D

S

G

F

V

V

R

S

A

A

P

M

S

K

A

A

active site: E48 (= E49), D59 (= D60), Y101 (= Y100), Y172 (≠ F171), Y174 (= Y173), T182 (= T181), S226 (≠ V230), G227 (= G231), S228 (= S232)
binding 5-fluoroindole propanol phosphate: F21 (≠ Y22), D59 (= D60), L99 (≠ M98), Y174 (= Y173), T182 (= T181), F205 (≠ L210), G206 (= G211), G227 (= G231), S228 (= S232)

1cx9A Crystal structure of the complex of bacterial tryptophan synthase with the transition state analogue inhibitor 4-(2-aminophenylthio)- butylphosphonic acid (see paper)
28% identity, 95% coverage: 5:261/270 of query aligns to 4:261/264 of 1cx9A

query
sites
1cx9A

D

E

A

N

V

L

F

F

A

A

A

Q

A

L

R

N

S

D

E

R

Q

R

R

E

G

G

S

A

L

F

I

V

G

P

Y

F

L

V

P

T

A

L

G

G

Y

D

P

P

T

G

L

I

E

E

G

Q

S

S

I

L

E

K

L

I

I

I

G

D

A

T

M

L

I

I

D

D

G

A

G

G

V

A

D

D

L

A

V

L

E
|
E

V

L

G

G

V

V

P

P

Y

F

S

S

D

D

P

P

V

L

M

A

D
|
D

G

G

P

P

T

T

I

I

Q

Q

A

N

A

A

A

N

G

L

T

R

A

A

L

F

R

A

N

A

G

G

F

V

R

T

L

P

R

A

D

Q

V

C

F

F

T

E

V

M

V

L

E

A

S

L

V

I

A

-

A

-

R

R

G

E

G

K

H

H

A

P

V

T

V

I

-

P

-

I

-

G

-

L

M
x
L

T

M

Y

Y

W

A

N

N

P

L

V

V

H

F

R

N

Y

N

G

G

V

I

D

D

A

A

F

F

A

Y

R

A

D

R

L

C

A

E

A

Q

A

V

G

G

G

V

H

D

G

S

L

V

I

L

T

V

P

A

D

D

L

V

I

P

P

V

D

E

E

E

A

S

E

A

E

P

W

F

L

R

A

Q

A

A

S

A

A

L

A

R

H

H

E

N

L

I

S

A

R

P

T

I

F

F

L

I

I

C

S

P

P

P

S

N

S

A

S

D

R

D

A

D

R

L

I

L

E

R

R

Q

A

V

A

A

G

S

A

Y

S

G

T

R

G

G

F

Y

L

T

Y
|
Y

A

L

T

L

A

S

V

R

M

S

G

G

V

V

T
|
T

G
|
G

A

A

R

E

D

N

Q

R

V

-

G

-

A

G

G

P

A

L

A

H

E

H

L

L

V

I

G

E

R

K

A

L

R

K

E

E

V

Y

T

H

D

A

L

A

P

P

V

A

G

L

V

Q

G

G

L
x
F

G

G

V

I

R

S

S

S

A

P

G

E

Q

Q

A

V

A

S

-

A

E

A

V

V

A

R

S

A

F

G

A

A

D

A

A

G

V

A

I

I

V

S

G
|
G

S
|
S

A

A

F

I

V

V

S

K

R

I

A

I

D

E

S

K

G

N

T

L

R

A

A

S

V

P

R

K

D

Q

L

M

A

L

A

A

E

E

L

L

A

R

D

S

G

F

V

V

R

S

A

A

P

M

S

K

A

A

active site: E48 (= E49), D59 (= D60), Y174 (= Y173)