SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF4633 FitnessBrowser__WCS417:GFF4633 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)

Q1LK00 Tryptophan 2,3-dioxygenase; TDO; Tryptamin 2,3-dioxygenase; Tryptophan oxygenase; TO; TRPO; Tryptophan pyrrolase; Tryptophanase; EC 1.13.11.11 from Cupriavidus metallidurans (strain ATCC 43123 / DSM 2839 / NBRC 102507 / CH34) (Ralstonia metallidurans) (see paper)
71% identity, 95% coverage: 16:285/285 of query aligns to 30:299/299 of Q1LK00

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F68 (= F54) mutation to A: Abolishes catalytic activity.
Y130 (= Y116) mutation to F: 15-fold increase in catalytic activity.
R134 (= R120) mutation to A: Abolishes catalytic activity.
T271 (= T257) mutation to A: Abolishes catalytic activity.

2noxB Crystal structure of tryptophan 2,3-dioxygenase from ralstonia metallidurans (see paper)
70% identity, 95% coverage: 16:285/285 of query aligns to 1:266/266 of 2noxB

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2noxB

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binding protoporphyrin ix containing fe: F39 (= F54), Q42 (= Q57), H43 (= H58), T46 (≠ S61), W90 (= W105), L93 (= L108), S112 (= S127), G113 (= G128), F114 (= F129), Y119 (= Y134), R120 (= R135), W224 (= W239), H228 (= H243), V232 (= V247), V235 (≠ I250), E242 (= E261), G243 (= G262), Y246 (= Y265), L247 (= L266), M250 (= M269)

2nw9A Crystal structure of tryptophan 2,3-dioxygenase (tdo) from xanthomonas campestris in complex with ferrous heme and 6-fluoro-tryptophan. Northeast structural genomics target xcr13 (see paper)
48% identity, 91% coverage: 27:285/285 of query aligns to 3:263/265 of 2nw9A

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binding 6-fluoro-l-tryptophan: F32 (= F54), H36 (= H58), Y94 (= Y116), R98 (= R120), L101 (= L123), S104 (= S126), S105 (= S127), I229 (= I251), G234 (= G256), T235 (= T257)
binding protoporphyrin ix containing fe: F32 (= F54), H36 (= H58), S39 (= S61), W83 (= W105), L86 (= L108), Y94 (= Y116), S105 (= S127), G106 (= G128), F107 (= F129), Y112 (= Y134), R113 (= R135), W217 (= W239), H221 (= H243), V225 (= V247), V228 (≠ I250), I229 (= I251), G234 (= G256), T235 (= T257), G236 (= G258), G237 (= G259), S238 (≠ T260), L244 (= L266)

Q8PDA8 Tryptophan 2,3-dioxygenase; TDO; Tryptamin 2,3-dioxygenase; Tryptophan oxygenase; TO; TRPO; Tryptophan pyrrolase; Tryptophanase; EC 1.13.11.11 from Xanthomonas campestris pv. campestris (strain ATCC 33913 / DSM 3586 / NCPPB 528 / LMG 568 / P 25) (see 2 papers)
48% identity, 91% coverage: 27:285/285 of query aligns to 22:282/298 of Q8PDA8

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Q8PDA8

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FIIQH 51:55 (= FIIQH 54:58) binding
H55 (= H58) mutation to A: Decrease in catalytic efficiency using L-tryptophan, 5-fluoro-D/L-tryptophan, 6-fluoro-D/L-tryptophan, 5-methyl-D/L-tryptophan and 6-methyl-D/L-tryptophan as substrate.; mutation to S: Decrease in catalytic efficiency using L-tryptophan, 5-fluoro-D/L-tryptophan, 6-fluoro-D/L-tryptophan, 5-methyl-D/L-tryptophan and 6-methyl-D/L-tryptophan as substrate.
Y113 (= Y116) binding
R117 (= R120) binding
H240 (= H243) binding axial binding residue
T254 (= T257) binding

7p46A Crystal structure of xanthomonas campestris tryptophan 2,3-dioxygenase (tdo) (see paper)
48% identity, 91% coverage: 27:285/285 of query aligns to 18:278/281 of 7p46A

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7p46A

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W
|
W

A

S

V

V

L
|
L

A

E

T

T

M

L

T

T

P

P

S

S

E

E

Y
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Y

K

M

S

G

I

F

R
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R

P

D

F

V

L
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L

G

G

Q

P

S
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S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
|
Y

R
|
R

E

Y

I

I

E

E

F

F

I

L

L

L

G

G

N

N

K

K

S

N

A

P

A

Q

L

M

L

L

R

Q

P

V

H

F

A

A

H

Y

R

D

P

P

E

A

L

G

L

Q

N

A

E

R

L

L

K

R

V

E

A

V

I

L

A

E

T

A

P

P

S

S

L

L

Y

Y

D

E

E

E

A

F

I

L

N

R

L

Y

M

L

I

A

Q

R

A

F

G

G

L

H

A

A

I

I

D

P

P

Q

K

Q

R

Y

A

Q

E

A

R

R

D

D

P

W

T

T

A

A

T

H

V

V

H

A

D

D

E

D

S

T

V

L

E

R

A

P

A

V

W

F

R

E

E

R

V

I

Y

Y

R

E

D

N

P

T

S

D

R

R

Y

Y

W

W

D

R

L

E

Y
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Y

Q
x
S

L

L

A

C

E
|
E

K

D

F

L

I

V

D
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D

L

V

E

E

D

T

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Q

F

F

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Q

L

W
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W

R

R

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F

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R

H
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H

V

M

T

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T

T

V
|
V

E

M

R

R

I
x
V

I
|
I

G

G

F

F

Q

K

P

R

G
|
G

T
|
T

G
|
G

T
x
S

E

S

G

G

V

V

G

G

Y

F

L
|
L

R

Q

K

Q

M

A

L

L

D

A

T

L

V

T

L

F

F

F

P

P

E

E

L

L

W

F

R

D

V

V

R

R

S

T

T

S

L

V

binding protoporphyrin ix containing fe: F47 (= F54), S51 (≠ H58), S54 (= S61), W98 (= W105), L101 (= L108), Y109 (= Y116), S120 (= S127), G121 (= G128), F122 (= F129), Y127 (= Y134), R128 (= R135), W232 (= W239), H236 (= H243), V240 (= V247), V243 (≠ I250), I244 (= I251), G249 (= G256), T250 (= T257), G251 (= G258), G252 (= G259), S253 (≠ T260), L259 (= L266)
binding (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid: Y20 (= Y29), Y23 (= Y32), L24 (= L33), F47 (= F54), S51 (≠ H58), Y109 (= Y116), R113 (= R120), L116 (= L123), S119 (= S126), S120 (= S127), G249 (= G256), T250 (= T257)
binding tryptophan: R81 (≠ F88), K82 (= K89), A85 (= A92), K88 (≠ S95), Y216 (= Y223), S217 (≠ Q224), E220 (= E227), D224 (= D231)

1yw0A Crystal structure of the tryptophan 2,3-dioxygenase from xanthomonas campestris. Northeast structural genomics target xcr13.
44% identity, 91% coverage: 28:285/285 of query aligns to 1:241/243 of 1yw0A

query
sites
1yw0A

S

T

Y

Y

G

G

D

G

Y

Y

L

L

D

R

L

L

G

D

K

Q

V

L

L

L

S

S

A
|
A

Q
|
Q

H
x
Q

P

P

L

L

S

S

-

E

-

P

P

A

D

H

H

H

N

D

E

E

M

M

L

L

F

F

I
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I

I

I

Q

Q

H

H

Q

Q

T

T

S

S

E

E

L

L

W

W

M

L

K

K

L

L

M

L

L

A

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H

E

E

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A

A

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H

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P

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A

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K

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A

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H

E

A

Q

W

W

A

S

V

V

L

L

A

E

T

T

M

L

T

T

P

P

S

S

E

E

Y

Y

K

M

S

G

I

F

R

R

P

D

F

V

L

L

G

G

Q

-

S

-

G

-

F

F

Q

Q

S

S

F

L

Q

Q

Y

Y

R

R

E

Y

I

I

E

E

F

F

I

L

L

L

G

G

N

N

K

K

S

N

A

P

A

Q

L

M

L

L

R

Q

P

V

H

F

A

A

H

Y

R

D

P

P

E

A

L

G

L

Q

N

A

E

R

L

L

K

R

V

E

A

V

I

L

A

E

T

A

P

P

S

S

L

L

Y

Y

D

E

E

E

A

F

I

L

N

R

L

Y

M

L

I

A

Q

R

A

F

G

G

L

H

A

A

I

I

D

P

P

Q

K

Q

R

Y

A

Q

E

A

R

R

D

D

P

W

T

T

A

A

T

H

V

V

H

A

D

D

E

D

S

T

V

L

E

R

A

P

A

V

W

F

R

E

E

R

V

I

Y

Y

R

E

D

N

P

T

S

D

R

R

Y

Y

W

W

D

R

L

E

Y

Y

Q

S

L

L

A

C

E

E

K

D

F

L

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V

D

D

L

V

E

E

D

T

S

Q

F

F

R

Q

Q

L

W

W

R

R

F

F

R

R

H

H

V

M

T

R

T

T

V

V

E

M

R

R

I

V

I

I

G

G

F

F

Q

-

P

-

G

-

T

-

G

-

T

-

E

-

G

-

V

-

G

-

Y

-

L

-

R

-

K

-

M

A

L

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A

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L

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T

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F

F

F

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P

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E

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L

W

F

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D

V

V

R

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S

T

T

S

L

V

binding magnesium ion: A14 (= A41), Q15 (= Q42), Q16 (≠ H43), I30 (= I55)

5ti9C Crystal structure of human tdo in complex with trp and dioxygen, northeast structural genomics consortium target hr6161 (see paper)
30% identity, 85% coverage: 27:267/285 of query aligns to 1:287/326 of 5ti9C

query
sites
5ti9C

M

L

S

I

Y
|
Y

G

G

D

N

Y
|
Y

L

L

D

H

L

L

G

E

K

K

V

V

L

L

S

N

A

A

Q

Q

H

E

P

L

L

Q

S

S

P

E

D

T

-

K

-

G

-

N

-

K

-

I

H

H

N

D

E

E

M

H

L

L

F
|
F

I

I

Q

T

H
|
H

Q

Q

T

A

S
x
Y

E

E

L

L

W

W

M
x
F

K

K

L

Q

M

I

L

L

H

W

E

E

L

L

K

D

A

S

A

V

R

R

E

E

H

I

V

F

R

Q

L

N

G

G

E

H

L
x
V

P
x
R

P

D

A
x
E

F

R

K

N

M

M

L

L

A

K

-

V

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S

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R

-

M

-

H

R

R

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V

I

I

F

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Q

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L

L

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L

A

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x
F

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R

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L

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x
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S

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F
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F

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Q

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S

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x
F

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R

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I

L

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E

F

N

I

K

L

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G

G

-

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R

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D

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N

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K

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x
W

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x
R

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A

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A

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K

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K

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E

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A

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L

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S

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L

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F

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D

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-

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E

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S

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V

L

E

S

A

K

A

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W

E

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R

E

R

V

L

-

S

-

Y

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R

-

A

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L

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Q

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G

-

A

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L

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M

-
x
I

-

Y

-

F

Y

Y

R

R

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E

P

E

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P

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R

Y
x
F

W

Q

D

V

L
x
P

Y

F

Q

Q

L

L

A

L

E

T

K

S

F

L

I

M

D

D

L

I

E

D

D

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S

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F

M

R

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Q

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W
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W

R

R

F

Y

R

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H
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H

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V

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C

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x
M

V
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V

E

H

R

R

I
x
M

I
x
L

G

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F

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G

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T

G
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G

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x
S

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Y

L
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L

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R

binding protoporphyrin ix containing fe: F33 (= F54), H37 (= H58), Y40 (≠ S61), F44 (≠ M65), L93 (= L108), F101 (≠ Y116), S112 (= S127), G113 (= G128), F114 (= F129), F119 (≠ Y134), R120 (= R135), W259 (= W239), H263 (= H243), M266 (≠ T246), V267 (= V247), M270 (≠ I250), L271 (≠ I251), G276 (= G256), T277 (= T257), G278 (= G258), G279 (= G259), S280 (≠ T260), Y285 (= Y265), L286 (= L266)
binding N'-Formylkynurenine: Y3 (= Y29), Y6 (= Y32), F33 (= F54), H37 (= H58), F101 (≠ Y116), R105 (= R120), L108 (= L123), A111 (≠ S126), S112 (= S127), G113 (= G128), L271 (≠ I251), G276 (= G256), T277 (= T257)
binding tryptophan: V63 (≠ L84), R64 (≠ P85), E66 (≠ A87), W159 (≠ A165), R162 (vs. gap), T163 (= T168), P164 (= P169), I230 (vs. gap), R238 (= R218), F239 (≠ Y219), P242 (≠ L222)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 289

6pyzC Crystal structure of human tryptophan 2,3-dioxygenase in complex with pf-06840003 in active site (see paper)
30% identity, 85% coverage: 26:267/285 of query aligns to 1:294/333 of 6pyzC

query
sites
6pyzC

S

G

M

L

S

I

Y
|
Y

G

G

D

N

Y
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Y

L

L

D

H

L

L

G

E

K

K

V

V

L

L

S

N

A

A

Q

Q

H

E

P

L

L

Q

S

S

P

E

D

T

-

K

-

G

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N

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K

-

I

H

H

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D

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E

M

H

L

L

F
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F

I

I

Q

T

H
|
H

Q

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T

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S
x
Y

E

E

L

L

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W

M
x
F

K

K

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M

I

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L

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W

E

E

L

L

K

D

A

S

A

V

R

R

E

E

H

I

V

F

R

Q

L

N

G

G

E

H

L

V

P
x
R

P

D

A
x
E

F

R

K

N

M

M

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L

A

K

-

V

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S

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R

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M

-

H

R

R

V

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R

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I

I

F

L

D

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Q

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L

L

V

V

H

Q

A

Q

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F

A

S

V

I

L
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L

A

E

T

T

M

M

T

T

P

A

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L

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D

Y
x
F

K

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S

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I

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R

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L
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L

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S

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x
A

S
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S

G
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G

F
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F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
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R

E

L

I

L

E

E

F

N

I

K

L

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G

G

-

V

-

L

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Q

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N

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M

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R

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V

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P

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Y

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H

-

Y

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R

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N

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W

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x
R

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T

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P

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G

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E

D

P

E

H

A

G

I

F

N

N

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F

-

W

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K

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A

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F

D

D

E

E

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V

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E

H

A

E

-

H

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L

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K

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G

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E

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R

-

L

A

S

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Y

R

R

E

A

V

L

-

Q

-

G

-

A

-

L

-

M

-
x
I

-

Y

-

F

Y

Y

R

R

D

E

P

E

S

P

R
|
R

Y
x
F

W

Q

D

V

L
x
P

Y

F

Q

Q

L

L

A

L

E

T

K

S

F

L

I

M

D

D

L

I

E

D

D

S

S

L

F

M

R

T

Q

K

W
|
W

R

R

F

Y

R

N

H
|
H

V

V

T

C

T
x
M

V
|
V

E

H

R

R

I
x
M

I
x
L

G

G

F

S

Q

K

P

A

G
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G

T
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T

G
|
G

T
x
S

E

S

G

G

V

Y

G

H

Y
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Y

L
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L

R

R

binding (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione: Y4 (= Y29), Y7 (= Y32), F34 (= F54), H38 (= H58), R106 (= R120), L109 (= L123), A112 (≠ S126), S113 (= S127), G114 (= G128), L278 (≠ I251), G283 (= G256), T284 (= T257)
binding protoporphyrin ix containing fe: F34 (= F54), H38 (= H58), Y41 (≠ S61), F45 (≠ M65), L94 (= L108), F102 (≠ Y116), S113 (= S127), G114 (= G128), F115 (= F129), F120 (≠ Y134), R121 (= R135), W266 (= W239), H270 (= H243), M273 (≠ T246), V274 (= V247), M277 (≠ I250), L278 (≠ I251), G283 (= G256), T284 (= T257), G285 (= G258), G286 (= G259), S287 (≠ T260), Y292 (= Y265), L293 (= L266)
binding alpha-methyl-L-tryptophan: R65 (≠ P85), E67 (≠ A87), W167 (≠ A165), R170 (vs. gap), T171 (= T168), P172 (= P169), I237 (vs. gap), R245 (= R218), F246 (≠ Y219), P249 (≠ L222)

P20351 Tryptophan 2,3-dioxygenase; TDO; Protein vermilion; Tryptamin 2,3-dioxygenase; Tryptophan oxygenase; TO; TRPO; Tryptophan pyrrolase; Tryptophanase; EC 1.13.11.11 from Drosophila melanogaster (Fruit fly) (see paper)
28% identity, 94% coverage: 4:270/285 of query aligns to 3:340/379 of P20351

query
sites
P20351

C

C

P

P

F

Y

S

A

A

G

D

N

Y

G

Q

N

P

D

P

H

E

D

W

-

H

S

N

A

A

V

E

P

L

L

N

T

F

T

S

E

E

V

S

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M

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Y

Y

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Y

Y

L

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C

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M

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F

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W

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I

L

I

H

F

E

E

L

F

K

D

A

S

A

I

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-

D

-

M

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-

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-

A

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V

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A

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M

-

E

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P

-

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-

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-
x
Y

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R

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-

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D123 (≠ E115) mutation to A: Strongly reduced enzyme activity.
Y236 (vs. gap) mutation to F: Strongly reduced enzyme activity.
R309 (= R240) mutation to A: Strongly reduced enzyme activity.
H312 (= H243) binding axial binding residue
Y335 (= Y265) mutation to F: Strongly reduced enzyme activity.

4hkaA Crystal structure of drosophila melanogaster tryptophan 2,3- dioxygenase in complex with heme (see paper)
29% identity, 85% coverage: 29:270/285 of query aligns to 4:317/345 of 4hkaA

query
sites
4hkaA

Y

Y

G

G

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H

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x
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x
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L

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x
F

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A

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Q

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F

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x
F

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H
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H

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x
M

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x
M

I
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I

G

G

F

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Q

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binding protoporphyrin ix containing fe: F34 (= F54), H38 (= H58), Y41 (≠ S61), F45 (≠ M65), L93 (= L108), F101 (≠ Y116), A111 (≠ S126), F114 (= F129), Q115 (= Q130), F119 (≠ Y134), Y136 (≠ P151), W285 (= W239), H289 (= H243), M292 (≠ T246), V293 (= V247), M296 (≠ I250), I297 (= I251), Y312 (= Y265), L313 (= L266)

Q09474 Tryptophan 2,3-dioxygenase; TDO; Tryptamin 2,3-dioxygenase; Tryptophan oxygenase; TO; TRPO; Tryptophan pyrrolase; Tryptophanase; EC 1.13.11.11 from Caenorhabditis elegans (see paper)
26% identity, 88% coverage: 17:267/285 of query aligns to 29:351/403 of Q09474

query
sites
Q09474

H

N

N

K

A

V

E

E

L

M

N

G

F

F

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G

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Q

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A

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H

H

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E

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PLD 133:135 (≠ PSE 113:115) PLD motif; required for enzymatic activity; mutation Missing: Abolishes catalytic activity. Animals have an extended lifespan, an extended reproductive lifespan, have fewer hatched progeny and display increased motility.

6a4iD Crystal structure of human tdo inhibitor complex
32% identity, 79% coverage: 27:252/285 of query aligns to 1:248/290 of 6a4iD

query
sites
6a4iD

M

L

S

I

Y
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Y

G

G

D

N

Y
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Y

L

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H

L

L

G

E

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K

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V

L

L

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N

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A

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E

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Q

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H

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x
Y

E

E

L

L

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W

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E

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G

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N

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M

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x
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F

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x
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E

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F

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x
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|
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A

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L

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F

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K

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R

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D

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-
x
I

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Y

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F

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Y

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P

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|
R

Y
x
F

W

Q

D

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L
x
P

Y

F

Q

Q

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L

A

L

E

T

K

S

F

L

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M

D

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L

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E

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D

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S

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R

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W
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F

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R

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H
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H

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V

T

C

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M

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H

R

R

I
x
M

I
x
L

G

G

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y29), Y6 (= Y32), F33 (= F54), H37 (= H58), L108 (= L123), A111 (≠ S126), G113 (= G128)
binding protoporphyrin ix containing fe: F33 (= F54), H37 (= H58), Y40 (≠ S61), L93 (= L108), F101 (≠ Y116), S112 (= S127), G113 (= G128), F114 (= F129), F119 (≠ Y134), W235 (= W239), H239 (= H243), V243 (= V247), M246 (≠ I250), L247 (≠ I251)
binding tryptophan: R64 (≠ P85), E66 (≠ A87), W153 (≠ A165), R156 (vs. gap), T157 (= T168), P158 (= P169), I206 (vs. gap), R214 (= R218), F215 (≠ Y219), P218 (≠ L222)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 254

6a4iB Crystal structure of human tdo inhibitor complex
30% identity, 85% coverage: 27:267/285 of query aligns to 1:275/309 of 6a4iB

query
sites
6a4iB

M

L

S

I

Y
|
Y

G

G

D

N

Y
|
Y

L

L

D

H

L

L

G

E

K

K

V

V

L

L

S

N

A

A

Q

Q

H

E

P

L

L

Q

S

S

P

E

D

T

-

K

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G

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I

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H

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M

H

L

L

F
|
F

I

I

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|
H

Q

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x
Y

E

E

L

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A

V

R

R

E

E

H

I

V

F

R

Q

L

N

G

G

E

H

L
x
V

P
x
R

P

D

A
x
E

F

R

K

N

M

M

L

L

A

K

-

V

-

S

-

R

-

M

-

H

R

R

V

V

S

S

R

V

I

I

F

L

D

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

A

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

S

L

E

D

Y
x
F

K

N

S

D

I

F

R

R

P

E

F

Y

L
|
L

G

S

Q

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
|
R

E

L

I

L

E

E

F

N

-

K

-

I

-

G

I

V

L

L

G

K

N

G

K

E

S

E

A

N

A

E

L

L

R

L

P

K

H

S

A

E

H

Q

R

E

P

K

E

T

L

L

N

E

E

L

L

V

K

E

V

A

A
x
W

I

L

A

E

-
x
R

T
|
T

P
|
P

S

G

L

L

Y

E

D

P

E

H

A

G

I

F

N

N

L

F

-

W

-

G

-

K

-

L

-

E

-

K

M

N

I

I

Q

T

A

R

G

G

L

L

A

E

I

E

D

E

P

F

K

Q

R

V

A

A

E

E

R

F

D

Q

P

K

T

Q

A

K

A

E

T

V

V

L

-

L

-

S

-

L

-

F

-

D

-

E

-

K

-

R

H

H

D

E

E

H

S

L

V

L

E

S

A

K

A

G

W

E

R

R

E

R

V

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-
x
I

-

Y

-

F

Y

Y

R

R

D

E

P

E

S

P

R
|
R

Y
x
F

W

Q

D

V

L
x
P

Y

F

Q

Q

L

L

A

L

E

T

K

S

F

L

I

M

D

D

L

I

E

D

D

S

S

L

F

M

R

T

Q

K

W
|
W

R

R

F

Y

R

N

H
|
H

V

V

T

C

T

M

V
|
V

E

H

R

R

I
x
M

I
x
L

G

G

F

-

Q

-

P

-

G

-

T

-

G

-

T

-

E

S

G

G

V

Y

G

H

Y
|
Y

L
|
L

R

R

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y29), Y6 (= Y32), F33 (= F54), H37 (= H58), F101 (≠ Y116), L108 (= L123), A111 (≠ S126), S112 (= S127), G113 (= G128)
binding protoporphyrin ix containing fe: F33 (= F54), H37 (= H58), Y40 (≠ S61), L93 (= L108), F101 (≠ Y116), S112 (= S127), G113 (= G128), F114 (= F129), F119 (≠ Y134), R120 (= R135), W255 (= W239), H259 (= H243), V263 (= V247), M266 (≠ I250), L267 (≠ I251), Y273 (= Y265), L274 (= L266)
binding tryptophan: V63 (≠ L84), R64 (≠ P85), E66 (≠ A87), W153 (≠ A165), R156 (vs. gap), T157 (= T168), P158 (= P169), I226 (vs. gap), R234 (= R218), F235 (≠ Y219), P238 (≠ L222)

6a4iA Crystal structure of human tdo inhibitor complex
29% identity, 84% coverage: 29:267/285 of query aligns to 3:293/322 of 6a4iA

query
sites
6a4iA

Y
|
Y

G

G

D

N

Y
|
Y

L

L

D

H

L

L

G

E

K

K

V

V

L

L

S

N

A

A

Q

Q

H

E

P

L

L

Q

S

S

P

E

D

T

-

K

-

G

-

N

-

K

-

I

H

H

N

D

E

E

M

H

L

L

F
|
F

I

I

Q

T

H
|
H

Q

Q

T

A

S
x
Y

E

E

L

L

W

W

M

F

K

K

L

Q

M

I

L

L

H

W

E

E

L

L

K

D

A

S

A

V

R

R

E

E

H

I

V

F

R

Q

L

N

G

G

E

H

L
x
V

P
x
R

P

D

A
x
E

F

R

K

N

M

M

L

L

A

K

-

V

-

S

-

R

-

M

-

H

R

R

V

V

S

S

R

V

I

I

F

L

D

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

A

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

S

L

E

D

Y
x
F

K

N

S

D

I

F

R

R

P

E

F

Y

L
|
L

G

S

Q

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
|
R

E

L

I

L

E

E

F

N

I

K

L

I

G

G

-

V

-

L

-

Q

-

N

-

M

-

N

-

F

-

K

N

G

K

E

S

E

A

N

A

E

L

L

R

L

P

K

H

S

A

E

H

Q

R

E

P

K

E

T

L

L

N

E

E

L

L

V

K

E

V

A

A
x
W

I

L

A

E

-
x
R

T
|
T

P
|
P

S

G

L

L

Y

E

D

P

E

H

A

G

I

F

N

N

L

F

-

W

-

G

-

K

-

L

-

E

-

K

M

N

I

I

Q

T

A

R

G

G

L

L

A

E

I

E

D

E

P

F

K

I

R

R

A

I

E

Q

R

A

D

E

P

E

T

K

A

E

T

Q

V

V

-

A

-

E

-

F

-

Q

-

K

-

Q

-

K

-

E

-

V

-

L

-

S

-

L

-

F

-

D

-

E

-

K

-

R

H

H

D

E

E

H

S

L

V

L

E

S

A

K

A

G

W

E

R

R

E

R

V

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-
x
I

-

Y

-

F

Y

Y

R

R

D

E

P

E

S

P

R

R

Y
x
F

W

Q

D

V

L
x
P

Y

F

Q

Q

L

L

A

L

E

T

K

S

F

L

I

M

D

D

L

I

E

D

D

S

S

L

F

M

R

T

Q

K

W
|
W

R

R

F

Y

R

N

H
|
H

V

V

T

C

T
x
M

V
|
V

E

H

R

R

I
x
M

I
x
L

G

G

F

-

Q

-

P

-

G

-

T

-

G

S

G

G

T
x
S

E

S

G

G

V

Y

G

H

Y
|
Y

L
|
L

R

R

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y29), Y6 (= Y32), F33 (= F54), H37 (= H58), F101 (≠ Y116), L108 (= L123), A111 (≠ S126), S112 (= S127), G113 (= G128)
binding protoporphyrin ix containing fe: F33 (= F54), H37 (= H58), Y40 (≠ S61), L93 (= L108), F101 (≠ Y116), S112 (= S127), G113 (= G128), F114 (= F129), F119 (≠ Y134), R120 (= R135), W270 (= W239), H274 (= H243), M277 (≠ T246), V278 (= V247), M281 (≠ I250), L282 (≠ I251), S286 (≠ T260), Y291 (= Y265), L292 (= L266)
binding tryptophan: V63 (≠ L84), R64 (≠ P85), E66 (≠ A87), W158 (≠ A165), R161 (vs. gap), T162 (= T168), P163 (= P169), I241 (vs. gap), F250 (≠ Y219), P253 (≠ L222)

7lu7CCC Tryptophan 2,3-dioxygenase
28% identity, 80% coverage: 26:252/285 of query aligns to 1:279/323 of 7lu7CCC

query
sites
7lu7CCC

S

G

M

L

S

I

Y
|
Y

G

G

D

N

Y
|
Y

L

L

D

H

L

L

G

E

K

K

V

V

L

L

S

N

A

A

Q

Q

H

E

P

L

L

Q

S

S

P

E

D

T

-

K

-

G

-

N

-

K

-

I

H

H

N

D

E

E

M

H

L

L

F
|
F

I

I

Q

T

H
|
H

Q

Q

T

A

S
x
Y

E

E

L

L

W

W

M
x
F

K

K

L

Q

M

I

L

L

H

W

E

E

L

L

K

D

A

S

A

V

R

R

E

E

H

I

V

F

R

Q

L

N

G

G

E

H

L

V

P
x
R

P

D

A
x
E

F

R

K

N

M

M

L

L

A

K

-

V

-

S

-

R

-

M

-

H

R

R

V

V

S

S

R

V

I

I

F

L

D

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

A

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

S

L

E

D

Y
x
F

K

N

S

D

I

F

R

R

P

E

F

Y

L

L

G

S

Q

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
|
R

E

L

I

L

E

E

F

N

I

K

L

I

G

G

-

V

-

L

-

Q

-

N

-

M

-

R

-

Y

-

R

-

D

-

N

-

F

-

K

N

G

K

E

S

E

A

N

A

E

L

L

R

L

P

K