SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ac3H11_1156 FitnessBrowser__acidovorax_3H11:Ac3H11_1156 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)
67% identity, 100% coverage: 2:298/298 of query aligns to 7:299/299 of Q1LK00

query
sites
Q1LK00

C

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F68 (= F64) mutation to A: Abolishes catalytic activity.
Y130 (= Y129) mutation to F: 15-fold increase in catalytic activity.
R134 (= R133) mutation to A: Abolishes catalytic activity.
T271 (= T270) mutation to A: Abolishes catalytic activity.

2noxB Crystal structure of tryptophan 2,3-dioxygenase from ralstonia metallidurans (see paper)
69% identity, 91% coverage: 29:298/298 of query aligns to 4:266/266 of 2noxB

query
sites
2noxB

A

A

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binding protoporphyrin ix containing fe: F39 (= F64), H43 (= H68), T46 (≠ S71), W90 (= W118), L93 (= L121), S112 (= S140), G113 (= G141), F114 (= F142), Y119 (= Y147), R120 (= R148), H228 (= H256), V232 (= V260), E242 (≠ T270), Y246 (= Y278), L247 (= L279)

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)
49% identity, 90% coverage: 32:298/298 of query aligns to 17:282/298 of Q8PDA8

query
sites
Q8PDA8

D

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FIIQH 51:55 (≠ FIVQH 64:68) binding
H55 (= H68) 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 (= Y129) binding
R117 (= R133) binding
H240 (= H256) binding axial binding residue
T254 (= T270) binding

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)
49% identity, 88% coverage: 37:298/298 of query aligns to 3:263/265 of 2nw9A

query
sites
2nw9A

M

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binding 6-fluoro-l-tryptophan: F32 (= F64), H36 (= H68), Y94 (= Y129), R98 (= R133), L101 (= L136), S104 (= S139), G234 (= G269), T235 (= T270)
binding protoporphyrin ix containing fe: F32 (= F64), H36 (= H68), S39 (= S71), W83 (= W118), L86 (= L121), G106 (= G141), F107 (= F142), Y112 (= Y147), R113 (= R148), H221 (= H256), V225 (= V260), I229 (= I264), G234 (= G269), G236 (= G271), S238 (≠ T273)

7p46A Crystal structure of xanthomonas campestris tryptophan 2,3-dioxygenase (tdo) (see paper)
48% identity, 90% coverage: 32:298/298 of query aligns to 13:278/281 of 7p46A

query
sites
7p46A

D

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A

A

I

I

D

V

R

H

I

L

A

Q

N

R

P

D

D

E

T

V

G

-

T

-

R

-

A

W

E

Q

A

C

F

R

K
|
K

M

V

L

L

A
|
A

R

R

V

S

S

K

R

Q

I

V

M

L

E

R

Q

Q

L

L

V

T

S

E

A

Q

W
|
W

S

S

V

V

L

L

A

E

T

T

M

L

T

T

P

P

P

S

E

E

Y
|
Y

T

M

A

G

M

F

R
|
R

P

D

Y

V

L

L

A

G

S

P

S
|
S

G
|
G

F
|
F

Q

Q

S

S

Y

L

Q

Q

Y
|
Y

R
|
R

A

Y

I

I

E

E

F

F

S

L

L

L

G

G

N

N

K

K

N

N

A

P

A

Q

M

M

L

L

K

Q

P

V

H

F

E

A

H

Y

R

D

P

P

D

A

L

G

L

Q

A

A

Q

R

V

L

R

R

S

E

A

V

Y

L

E

E

T

A

P

P

S

S

L

L

Y

Y

D

E

V

E

S

F

L

L

Q

R

L

Y

L

L

A

A

K

R

E

F

G

G

L

H

H

A

I

I

P

P

A

Q

S

Q

H

Y

L

Q

E

A

R

R

D

D

W

W

T

T

Q

A

P

A

Y

H

M

V

E

A

S

D

E

D

A

T

V

L

K

R

E

P

A

V

W

F

L

E

A

R

V

I

Y

Y

R

E

D

N

P

T

Q

D

K

R

Y

Y

W

W

D

R

L

E

Y
|
Y

Q
x
S

L

L

G

C

E
|
E

K

D

L

L

T

V

D
|
D

I

V

E

E

D

T

A

Q

F

F

R

Q

L

L

W

W

R

R

F

F

R

R

H
|
H

V

M

T

R

T

T

V
|
V

E

M

R

R

V

V

I

I

G

G

F

F

K

K

R

R

G
|
G

T
|
T

G
|
G

G

G

T
x
S

G

S

G

G

V

V

S

G

Y

F

L

L

R

Q

K

Q

M

A

L

L

D

A

V

L

V

T

L

F

F

F

P

P

E

E

I

L

W

F

K

D

L

V

R

R

T

T

D

S

L

V

binding protoporphyrin ix containing fe: S51 (≠ H68), S54 (= S71), W98 (= W118), S120 (= S140), G121 (= G141), F122 (= F142), Y127 (= Y147), R128 (= R148), H236 (= H256), V240 (= V260), G249 (= G269), G251 (= G271), S253 (≠ T273)
binding (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid: F47 (= F64), S51 (≠ H68), Y109 (= Y129), R113 (= R133), S119 (= S139), G249 (= G269), T250 (= T270)
binding tryptophan: K82 (= K102), A85 (= A105), Y216 (= Y236), S217 (≠ Q237), E220 (= E240), D224 (= D244)

1yw0A Crystal structure of the tryptophan 2,3-dioxygenase from xanthomonas campestris. Northeast structural genomics target xcr13.
45% identity, 88% coverage: 38:298/298 of query aligns to 1:241/243 of 1yw0A

query
sites
1yw0A

S

T

Y

Y

G

G

D

G

Y

Y

L

L

Q

R

L

L

D

D

A

Q

I

L

L

L

T

S

A
|
A

Q
|
Q

K
x
Q

P

P

L

L

S

S

-

E

P

P

A

A

H

H

-

H

D

D

E

E

M

M

L

L

F

F

I

I

V

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

H

H

E

E

L

L

R

R

A

A

I

I

D

V

R

H

I

L

A

Q

N

R

P

D

D

E

T

V

G

W

T

-

R

-

A

-

E

Q

A

C

F

R

K

K

M

V

L

L

A

A

R

R

V

S

S

K

R

Q

I

V

M

L

E

R

Q

Q

L

L

V

T

S

E

A

Q

W

W

S

S

V

V

L

L

A

E

T

T

M

L

T

T

P

P

P

S

E

E

Y

Y

T

M

A

G

M

F

R

R

P

D

Y

V

L

L

A

-

S

-

G

G

F

F

Q

Q

S

S

Y

L

Q

Q

Y

Y

R

R

A

Y

I

I

E

E

F

F

S

L

L

L

G

G

N

N

K

K

N

N

A

P

A

Q

M

M

L

L

K

Q

P

V

H

F

E

A

H

Y

R

D

P

P

D

A

L

G

L

Q

A

A

Q

R

V

L

R

R

S

E

A

V

Y

L

E

E

T

A

P

P

S

S

L

L

Y

Y

D

E

V

E

S

F

L

L

Q

R

L

Y

L

L

A

A

K

R

E

F

G

G

L

H

H

A

I

I

P

P

A

Q

S

Q

H

Y

L

Q

E

A

R

R

D

D

W

W

T

T

Q

A

P

A

Y

H

M

V

E

A

S

D

E

D

A

T

V

L

K

R

E

P

A

V

W

F

L

E

A

R

V

I

Y

Y

R

E

D

N

P

T

Q

D

K

R

Y

Y

W

W

D

R

L

E

Y

Y

Q

S

L

L

G

C

E

E

K

D

L

L

T

V

D

D

I

V

E

E

D

T

A

Q

F

F

R

Q

L

L

W

W

R

R

F

F

R

R

H

H

V

M

T

R

T

T

V

V

E

M

R

R

V

V

I

I

G

G

F

F

K

A

R

-

G

-

T

-

G

-

T

-

G

-

V

-

S

-

Y

-

L

-

R

-

K

-

M

-

L

L

D

A

V

L

V

T

L

F

F

F

P

P

E

E

I

L

W

F

K

D

L

V

R

R

T

T

D

S

L

V

binding magnesium ion: A14 (= A51), Q15 (= Q52), Q16 (≠ K53)

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)
31% identity, 95% coverage: 2:283/298 of query aligns to 3:340/379 of P20351

query
sites
P20351

C

C

P

P

F

Y

S

A

H

-

T

-

P

-

A

G

P

N

A

G

N

N

E

D

A

H

P

D

G

D

T

S

A

A

L

V

P

P

E

-

S

-

I

-

V

-

H

-

E

-

R

-

A

-

Q

-

L

L

D

T

F

T

S

E

K

V

S

G

M

K

S

I

Y

Y

G

G

D

E

Y

Y

L

L

Q

M

L

L

D

D

A

K

I

L

L

L

T

D

A

A

Q

Q

K

C

P

M

L

L

S

S

-

E

-

D

-

K

-

R

P

P

A

V

H

H

D

D

E

E

M

H

L

L

F

F

I

I

V

I

Q

T

H

H

Q

Q

T

A

S

Y

E

E

L

L

W

W

M

F

K

K

L

Q

M

I

L

I

H

F

E

E

-

F

-

D

-

S

L

I

R

R

A

D

A

M

I

L

D

D

R

A

I

E

A

V

N

I

P

D

D

E

T

T

G

K

T

T

R

-

A

L

E

E

A

I

F

V

K

K

M

R

L

L

A

N

R

R

V

V

S

V

R

L

I

I

M

L

E

K

Q

L

L

L

V

V

S

D

A

Q

W

V

S

P

V

I

L

L

A

E

T

T

M

M

T

T

P

P

P

L

E
x
D

Y

F

T

M

A

D

M

F

R

R

P

K

Y

Y

L

L

A

A

S

P

S

A

S

S

G

G

F

F

Q

Q

S

S

Y

L

Q

Q

Y

F

R

R

A

L

I

I

E

E

F

N

S

K

L

L

G

G

-

V

-

L

-

T

-

E

-

Q

-

R

-

V

-

R

-

Y

-

N

N

Q

K

K

N

Y

A

S

A

D

M

V

L

F

K

S

P

D

H

E

E

E

H

A

R

R

-

N

-

S

-

I

-

R

-

N

-

S

-

E

-

K

-

D

P

P

D

S

L

L

-

E

-

L

-

V

-

Q

-

R

-

W

-

L

-

E

-

R

-

T

-

P

-

G

-

L

-

E

-

S

-

G

-

F

-

N

-

F

-

W

-

A

-

K

-

F

-

Q

-

E

-

S

-

V

-

D

-

R

-

F

-

L

-

E

A

A

Q

Q

V

V

R

Q

S

S

A

A

Y

M

E

E

T

E

P

P

-

V

-

E

-

K

-

A

-

K

-

N

-
x
Y

S

R

L

L

Y

M

D

D

V

I

S

E

L

K

Q

R

L

R

L

E

A

V

K

Y

E

R

G

S

L

I

H

F

I

D

P

P

A

A

S

V

H

H

-

D

-

A

L

L

E

V

R

R

D

R

W

G

T

D

Q

R

P

R

Y

F

M

S

E

H

S

R

E

A

A

L

V

Q

K

G

E

A

A

I

W

M

L

I

A

T

V

F

Y

Y

R

R

D

D

P

E

Q

P

K

R

Y

F

W

S

D

Q

L

P

Y

H

Q

Q

L

L

G

L

E

T

K

L

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

I

R

T

L

K

W

W

R
|
R

F

Y

R

N

H
|
H

V

V

T

I

T

M

V

V

E

Q

R

R

V

M

I

I

G

G

F

S

K

Q

R

Q

-

L

G

G

T

T

G

G

T

S

G

S

G

G

V

Y

S

Q

Y
|
Y

L

L

R

R

K

S

M

T

L

L

D123 (≠ E128) mutation to A: Strongly reduced enzyme activity.
Y236 (vs. gap) mutation to F: Strongly reduced enzyme activity.
R309 (= R253) mutation to A: Strongly reduced enzyme activity.
H312 (= H256) binding axial binding residue
Y335 (= Y278) mutation to F: Strongly reduced enzyme activity.

4hkaA Crystal structure of drosophila melanogaster tryptophan 2,3- dioxygenase in complex with heme (see paper)
32% identity, 82% coverage: 39:283/298 of query aligns to 4:317/345 of 4hkaA

query
sites
4hkaA

Y

Y

G

G

D

E

Y

Y

L

L

Q

M

L

L

D

D

A

K

I

L

L

L

T

D

A

A

Q

Q

K

C

P

M

L

L

S

S

-

E

-

D

-

K

-

R

P

P

A

V

H

H

D

D

E

E

M

H

L

L

F

F

I

I

V

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

I

H

F

E

E

-

F

-

D

-

S

L

I

R

R

A

D

A

M

I

L

D

D

R

A

I

E

A

V

N

I

P

D

D

E

T

T

G

K

T

T

R

-

A

L

E

E

A

I

F

V

K

K

M

R

L

L

A

N

R

R

V

V

S

V

R

L

I

I

M

L

E

K

Q

L

L

L

V

V

S

D

A

Q

W

V

S

P

V

I

L
|
L

A

E

T

T

M

M

T

T

P

P

P

L

E

D

Y
x
F

T

M

A

D

M

F

R

R

P

K

Y

Y

L

L

A

A

S

P

S

A

S

S

G

G

F
|
F

Q
|
Q

S

S

Y

L

Q

Q

Y
x
F

R

R

A

L

I

I

E

E

F

N

S

K

L

L

G

G

-

V

-

L

-

T

-

E

-

Q

-

R

-

V

-

R

-
x
Y

-

N

N

Q

K

K

N

Y

A

S

A

D

M

V

L

F

K

S

P

D

H

E

E

E

H

A

R

R

-

N

-

S

-

I

-

R

-

N

-

S

-

E

-

K

-

D

P

P

D

S

L

L

-

E

-

L

-

V

-

Q

-

R

-

W

-

L

-

E

-

R

-

T

-

P

-

G

-

L

-

E

-

S

-

G

-

F

-

N

-

F

-

W

-

A

-

K

-

F

-

Q

-

E

-

S

-

V

-

D

-

R

-

F

-

L

-

E

A

A

Q

Q

V

V

R

Q

S

S

A

A

Y

M

E

E

T

E

P

P

-

V

-

E

-

K

-

A

-

K

-

N

-

Y

S

R

L

L

Y

M

D

D

V

I

S

E

L

K

Q

R

L

R

L

E

A

V

K

Y

E

R

G

S

L

I

H

F

I

D

P

P

A

A

S

V

H

H

-

D

-

A

L

L

E

V

R

R

D

R

W

G

T

D

Q

R

P

R

Y

F

M

S

E

H

S

R

E

A

A

L

V

Q

K

G

E

A

A

I

W

M

L

I

A

T

V

F

Y

Y

R

R

D

D

P

E

Q

P

K

R

Y

F

W

S

D

Q

L

P

Y

H

Q

Q

L

L

G

L

E

T

K

L

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

I

R

T

L

K

W
|
W

R

R

F

Y

R

N

H
|
H

V

V

T

I

T

M

V
|
V

E

Q

R

R

V

M

I

I

G

G

F

S

K

Q

R

Q

-

L

G

G

T

T

G

G

T

S

G

S

G

G

V

Y

S

Q

Y
|
Y

L
|
L

R

R

K

S

M

T

L

L

binding protoporphyrin ix containing fe: H38 (= H68), Y41 (≠ S71), F45 (≠ M75), L93 (= L121), F101 (≠ Y129), F114 (= F142), Q115 (= Q143), F119 (≠ Y147), Y136 (vs. gap), W285 (= W252), H289 (= H256), V293 (= V260), Y312 (= Y278), L313 (= L279)

5ti9C Crystal structure of human tdo in complex with trp and dioxygen, northeast structural genomics consortium target hr6161 (see paper)
29% identity, 88% coverage: 37:298/298 of query aligns to 1:307/326 of 5ti9C

query
sites
5ti9C

M

L

S

I

Y

Y

G

G

D

N

Y

Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

S

S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F
|
F

I

I

V

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

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G
x
R

T

D

R
x
E

A

R

E

N

A

M

F

L

K

K

M

V

L

V

A

S

R

R

-

M

-

H

-

R

V

V

S

S

R

V

I

I

M

L

E

K

Q

L

L

L

V

V

S

Q

A

Q

W

F

S

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y

F

T

N

A

D

M

F

R
|
R

P

E

Y

Y

L
|
L

A

S

S

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

Y

L

Q

Q

Y
x
F

R
|
R

A

L

I

L

E

E

F

N

S

K

L

I

-

G

-

V

-

L

-

Q

-

N

-

R

-

D

-

N

-

F

-

K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

P

S

H

-

E

E

H

Q

R

E

P

K

D

T

L

L

A

E

Q

L

V

V

R

E

S

A

A
x
W

Y

L

E

E

-
x
R

T
|
T

P
|
P

S

G

L

L

Y

E

D

P

V

H

S

G

L

F

Q

N

L

F

L

W

A

G

K

K

E

-

G

-

L

-

H

-

I

-

P

L

A

E

S

K

H

N

L

I

E

T

R

R

D

G

W

L

T

E

Q

E

P

E

Y

F

M

I

E

R

S

F

E

Q

A

K

V

Q

K

K

E

E

A

V

W

L

L

L

A

S

V

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-
x
I

-

Y

-

F

Y

Y

R

R

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E

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E

Q

P

K

R

Y
x
F

W

Q

D

V

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x
P

Y

F

Q

Q

L

L

G

L

E

T

K

S

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

L

K

W
|
W

R

R

F

Y

R

N

H
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H

V

V

T

C

T

M

V
|
V

E

H

R

R

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x
M

I
x
L

G

G

F

S

K

K

R

A

G
|
G

T
|
T

G
|
G

G

G

T
x
S

G

S

G

G

V

Y

S

H

Y

Y

L
|
L

R

R

K

S

M

T

L

V

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S

-

D

-

R

V

Y

V

K

L

V

F

F

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E

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N

L

L

R

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T

T

D

Y

L

L

binding protoporphyrin ix containing fe: H37 (= H68), Y40 (≠ S71), L93 (= L121), S112 (= S140), G113 (= G141), F114 (= F142), F119 (≠ Y147), R120 (= R148), W259 (= W252), H263 (= H256), V267 (= V260), M270 (≠ V263), G276 (= G269), G278 (= G271), S280 (≠ T273), L286 (= L279)
binding N'-Formylkynurenine: F33 (= F64), H37 (= H68), R105 (= R133), L108 (= L136), A111 (≠ S139), S112 (= S140), G113 (= G141), L271 (≠ I264), G276 (= G269), T277 (= T270)
binding tryptophan: R64 (≠ G95), E66 (≠ R97), W159 (≠ A178), R162 (vs. gap), T163 (= T181), P164 (= P182), I230 (vs. gap), F239 (≠ Y232), P242 (≠ L235)

6pyzC Crystal structure of human tryptophan 2,3-dioxygenase in complex with pf-06840003 in active site (see paper)
30% identity, 88% coverage: 36:298/298 of query aligns to 1:314/333 of 6pyzC

query
sites
6pyzC

S

G

M

L

S

I

Y
|
Y

G

G

D

N

Y
|
Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

S

S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F
|
F

I

I

V

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

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G
x
R

T

D

R
x
E

A

R

E

N

A

M

F

L

K

K

M

V

L

V

A

S

R

R

-

M

-

H

-

R

V

V

S

S

R

V

I

I

M

L

E

K

Q

L

L

L

V

V

S

Q

A

Q

W

F

S

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y

F

T

N

A

D

M

F

R

R

P

E

Y

Y

L

L

A

S

S

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

Y

L

Q

Q

Y
x
F

R
|
R

A

L

I

L

E

E

F

N

S

K

L

I

-

G

-

V

-

L

-

Q

-

N

-

M

-

R

-

V

-

P

-

Y

-

H

-

Y

-

R

-

D

-

N

-

F

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K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

P

S

H

-

E

E

H

Q

R

E

P

K

D

T

L

L

A

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Q

L

V

V

R

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A

A
x
W

Y

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x
R

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T

P
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P

S

G

L

L

Y

E

D

P

V

H

S

G

L

F

Q

N

L

F

L

W

A

G

K

K

-

L

-

E

-

K

-

N

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I

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T

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R

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G

L

L

H

E

I

E

P

E

A

A

S

E

H

F

L

Q

E

K

R

Q

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K

W

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T

V

Q

L

P

L

Y

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M

L

E

F

S

D

E

E

A

K

V

R

K

H

E

E

A

H

W

L

L

L

A

S

-

K

-

G

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E

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A

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L

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Q

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G

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A

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L

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M

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I

-

Y

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F

Y

Y

R

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P

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Q

P

K

R

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x
F

W

Q

D

V

L

P

Y

F

Q

Q

L

L

G

L

E

T

K

S

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

L

K

W

W

R

R

F

Y

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N

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|
H

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T

C

T
x
M

V
|
V

E

H

R

R

V
x
M

I

L

G

G

F

S

K

K

R

A

G
|
G

T
|
T

G
|
G

G

G

T
x
S

G

S

G

G

V

Y

S

H

Y
|
Y

L
|
L

R

R

K

S

M

T

L

V

D

S

-

D

-

R

V

Y

V

K

L

V

F

F

P

V

E

D

I

L

W

F

K

N

L

L

R

S

T

T

D

Y

L

L

binding (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione: Y4 (= Y39), Y7 (= Y42), F34 (= F64), H38 (= H68), A112 (≠ S139), S113 (= S140), T284 (= T270)
binding protoporphyrin ix containing fe: H38 (= H68), Y41 (≠ S71), L94 (= L121), G114 (= G141), F115 (= F142), F120 (≠ Y147), R121 (= R148), H270 (= H256), M273 (≠ T259), V274 (= V260), M277 (≠ V263), G283 (= G269), G285 (= G271), S287 (≠ T273), Y292 (= Y278), L293 (= L279)
binding alpha-methyl-L-tryptophan: R65 (≠ G95), E67 (≠ R97), W167 (≠ A178), R170 (vs. gap), T171 (= T181), P172 (= P182), F246 (≠ Y232)

P48775 Tryptophan 2,3-dioxygenase; TDO; Tryptamin 2,3-dioxygenase; Tryptophan oxygenase; TO; TRPO; Tryptophan pyrrolase; Tryptophanase; EC 1.13.11.11 from Homo sapiens (Human) (see 3 papers)
28% identity, 100% coverage: 2:298/298 of query aligns to 4:372/406 of P48775

query
sites
P48775

C

C

P

P

F

F

S

-

H

-

T

-

P

-

A

-

P

L

A

G

N

N

E

N

A

F

P

G

G

Y

T

T

-

F

-

K

A

K

L

L

P

P

E

V

S

E

I

G

V

S

H

E

E

E

E

D

R

K

A

S

Q

Q

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D

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F

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S

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K

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S

A

-

S

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K

-

G

M

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I

Y
|
Y

G

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D

N

Y
|
Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

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S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F
|
F

I
|
I

V
x
I

Q
x
T

H
|
H

Q

Q

T

A

S

Y

E

E

L

L

W

W

M

F

K

K

L

Q

M

I

L

L

H

W

E

E

L

L

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G

R

T

D

R

E

A

R

E

N

A
x
M

F

L

K

K

M

V

L

V

A

S

R

R

-

M

-

H

-

R

V

V

S

S

R

V

I

I

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L

E

K

Q

L

L

L

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V

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Q

A

Q

W

F

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S

V

I

L

L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

T

N

A

D

M

F

R
|
R

P

E

Y

Y

L

L

A

S

S

P

S

A

S
|
S

G

G

F

F

Q

Q

S

S

Y

L

Q

Q

Y

F

R

R

A

L

I

L

E

E

F

N

S

K

L

I

-

G

-

V

-

L

-

Q

-

N

-

M

-

R

-

V

-

P

-
x
Y

-

N

-

R

-

H

-

Y

-

R

-

D

-

N

-

F

-

K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

P

S

H

-

E

E

H

Q

R

E

P

K

D

T

L

L

A

E

Q

L

V

V

R

E

S

A

A

W

Y

L

E

E

-

R

T

T

P

P

S

G

L

L

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E

D

P

V

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S

G

L

F

Q

N

L

F

-

W

-

G

-

K

-

L

-

E

-

K

-

N

-

I

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T

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R

-

G

L

L

A

E

K

E

E

E

G

F

L

I

H

R

I

I

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Q

A

A

S

K

H

E

L

E

E

S

R

E

D

E

W

K

T

E

Q

E

P

Q

Y

V

M

A

E

E

S

F

E

Q

A

K

V

Q

K

K

E

E

A

V

W

L

L

L

A

S

V

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

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S

-

K

-

G

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E

-

R

-

L

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S

-

Y

-

R

-

A

-

L

-

Q

-

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-

A

-

L

-

M

-

I

-

Y

-

F

Y

Y

R

R

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E

P

E

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P

K

R

Y

F

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Q

D

V

L

P

Y

F

Q

Q

L

L

G

L

E

T

K

S

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

L

K

W

W

R

R

F

Y

R

N

H
|
H

V

V

T

C

T

M

V

V

E

H

R

R

V

M

I

L

G

G

F

S

K

K

R

A

G

G

T
|
T

G

G

T

S

G

S

G

G

V

Y

S

H

Y

Y

L

L

R

R

K

S

M

T

L

V

D

S

-

D

-

R

V

Y

V

K

L

V

F

F

P

V

E

D

I

L

W

F

K

N

L

L

R

S

T

T

D

Y

L

L

Y42 (= Y39) mutation to A: Reduces enzyme activity by 99%.
Y45 (= Y42) mutation to A: Reduces enzyme activity by 99%.
F72 (= F64) mutation to A: Abolishes enzyme activity.
FIITH 72:76 (≠ FIVQH 64:68) binding
H76 (= H68) mutation to A: Abolishes enzyme activity.
M108 (≠ A100) to I: in HYPTRP; reduced tryptophan 2,3-dioxygenase activity; does not affect homotetramerization; dbSNP:rs1553957997
F140 (≠ Y129) mutation to A: Reduces enzyme activity by 99%.
R144 (= R133) binding ; mutation to A: Reduces enzyme activity by 99%.
S151 (= S140) mutation to A: Reduces enzyme activity by 90%.
Y175 (vs. gap) mutation to G: Reduces enzyme activity.
H328 (= H256) binding axial binding residue; mutation to A: Abolishes enzyme activity.
T342 (= T270) binding

6pyzA Crystal structure of human tryptophan 2,3-dioxygenase in complex with pf-06840003 in active site (see paper)
28% identity, 88% coverage: 36:298/298 of query aligns to 1:334/353 of 6pyzA

query
sites
6pyzA

S

G

M

L

S

I

Y
|
Y

G

G

D

N

Y
|
Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

S

S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F
|
F

I

I

V

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

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G
x
R

T

D

R
x
E

A

R

E

N

A

M

F

L

K

K

M

V

L

V

A

S

R

R

-

M

-

H

-

R

V

V

S

S

R

V

I

I

M

L

E

K

Q

L

L

L

V

V

S

Q

A

Q

W

F

S

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

T

N

A

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M

F

R
|
R

P

E

Y

Y

L

L

A

S

S

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

Y

L

Q

Q

Y
x
F

R
|
R

A

L

I

L

E

E

F

N

S

K

L

I

-

G

-

V

-

L

-

Q

-

N

-

M

-

R

-

V

-

P

-

Y

-

N

-

R

-

H

-

Y

-

R

-

D

-

N

-

F

-

K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

P

S

H

-

E

E

H

Q

R

E

P

K

D

T

L

L

A

E

Q

L

V

V

R

E

S

A

A
x
W

Y

L

E

E

-
x
R

T
|
T

P
|
P

S

G

L

L

Y

E

D

P

V

H

S

G

L

F

Q

N

L

F

-

W

-

G

-

K

-

L

-

E

-

K

-

N

-

I

-

T

-

R

-

G

L

L

A

E

K

E

E

E

G

F

L

I

H

R

I

I

P

Q

A

A

S

K

H

E

L

E

E

S

R

E

D

E

W

K

T

E

Q

E

P

Q

Y

V

M

A

E

E

S

F

E

Q

A

K

V

Q

K

K

E

E

A

V

W

L

L

L

A

S

V

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-

I

-

Y

-

F

Y

Y

R

R

D

E

P

E

Q

P

K

R

Y
x
F

W

Q

D

V

L
x
P

Y

F

Q

Q

L

L

G

L

E

T

K

S

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

L

K

W

W

R

R

F

Y

R

N

H
|
H

V

V

T

C

T
x
M

V
|
V

E

H

R

R

V
x
M

I

L

G

G

F

S

K

K

R

A

G
|
G

T
|
T

G
|
G

G

G

T
x
S

G

S

G

G

V

Y

S

H

Y
|
Y

L
|
L

R

R

K

S

M

T

L

V

D

S

-

D

-

R

V

Y

V

K

L

V

F

F

P

V

E

D

I

L

W

F

K

N

L

L

R

S

T

T

D

Y

L

L

binding (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione: Y4 (= Y39), Y7 (= Y42), F34 (= F64), H38 (= H68), R106 (= R133), A112 (≠ S139), S113 (= S140), T304 (= T270)
binding protoporphyrin ix containing fe: F34 (= F64), H38 (= H68), Y41 (≠ S71), L94 (= L121), F102 (≠ Y129), S113 (= S140), G114 (= G141), F115 (= F142), F120 (≠ Y147), R121 (= R148), H290 (= H256), M293 (≠ T259), V294 (= V260), M297 (≠ V263), G303 (= G269), G305 (= G271), S307 (≠ T273), Y312 (= Y278), L313 (= L279)
binding alpha-methyl-L-tryptophan: R65 (≠ G95), E67 (≠ R97), W170 (≠ A178), R173 (vs. gap), T174 (= T181), P175 (= P182), F266 (≠ Y232), P269 (≠ L235)

5ti9A Crystal structure of human tdo in complex with trp and dioxygen, northeast structural genomics consortium target hr6161 (see paper)
28% identity, 88% coverage: 36:298/298 of query aligns to 1:334/350 of 5ti9A

query
sites
5ti9A

S

G

M

L

S

I

Y

Y

G

G

D

N

Y

Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

S

S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F
|
F

I

I

V

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

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G
x
R

T

D

R
x
E

A

R

E

N

A

M

F

L

K

K

M

V

L

V

A

S

R

R

-

M

-

H

-

R

V

V

S

S

R

V

I

I

M

L

E

K

Q

L

L

L

V

V

S

Q

A

Q

W

F

S

S

V

I

L

L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

T

N

A

D

M

F

R
|
R

P

E

Y

Y

L
|
L

A

S

S

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

Y

L

Q

Q

Y
x
F

R
|
R

A

L

I

L

E

E

F

N

S

K

L

I

-

G

-

V

-

L

-

Q

-

N

-

M

-

R

-

V

-

P

-

Y

-

N

-

R

-

H

-

Y

-

R

-

D

-

N

-

F

-

K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

P

S

H

-

E

E

H

Q

R

E

P

K

D

T

L

L

A

E

Q

L

V

V

R

E

S

A

A
x
W

Y

L

E

E

-
x
R

T
|
T

P
|
P

S

G

L

L

Y

E

D

P

V

H

S

G

L

F

Q

N

L

F

-

W

-

G

-

K

-

L

-

E

-

K

-

N

-

I

-

T

-

R

-

G

L

L

A

E

K

E

E

E

G

F

L

I

H

R

I

I

P

Q

A

A

S

K

H

E

L

E

E

S

R

E

D

E

W

K

T

E

Q

E

P

Q

Y

V

M

A

E

E

S

F

E

Q

A

K

V

Q

K

K

E

E

A

V

W

L

L

L

A

S

V

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-

I

-

Y

-

F

Y

Y

R

R

D

E

P

E

Q

P

K

R

Y
x
F

W

Q

D

V

L
x
P

Y

F

Q

Q

L

L

G

L

E

T

K

S

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

L

K

W
|
W

R

R

F

Y

R

N

H
|
H

V

V

T

C

T
x
M

V
|
V

E

H

R

R

V

M

I

L

G

G

F

S

K

K

R

A

G
|
G

T
|
T

G
|
G

G

G

T
x
S

G

S

G

G

V

Y

S

H

Y

Y

L
|
L

R

R

K

S

M

T

L

V

D

S

-

D

-

R

V

Y

V

K

L

V

F

F

P

V

E

D

I

L

W

F

K

N

L

L

R

S

T

T

D

Y

L

L

binding protoporphyrin ix containing fe: F34 (= F64), H38 (= H68), Y41 (≠ S71), F102 (≠ Y129), S113 (= S140), G114 (= G141), F115 (= F142), F120 (≠ Y147), R121 (= R148), W286 (= W252), H290 (= H256), M293 (≠ T259), V294 (= V260), G303 (= G269), G305 (= G271), S307 (≠ T273), L313 (= L279)
binding tryptophan: F34 (= F64), H38 (= H68), R65 (≠ G95), E67 (≠ R97), F102 (≠ Y129), R106 (= R133), L109 (= L136), A112 (≠ S139), S113 (= S140), W170 (≠ A178), R173 (vs. gap), T174 (= T181), P175 (= P182), F266 (≠ Y232), P269 (≠ L235), G303 (= G269), T304 (= T270)

6vbnA Crystal structure of htdo2 bound to inhibitor gne1 (see paper)
29% identity, 87% coverage: 39:298/298 of query aligns to 3:333/344 of 6vbnA

query
sites
6vbnA

Y
|
Y

G

G

D

N

Y
|
Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

S

S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F
|
F

I

I

V

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

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G

R

T

D

R

E

A

R

E

N

A

M

F

L

K

K

M

V

L

V

A

S

R

R

-

M

-

H

-

R

V

V

S

S

R

V

I

I

M

L

E

K

Q

L

L

L

V

V

S

Q

A

Q

W

F

S

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

T

N

A

D

M

F

R

R

P

E

Y

Y

L
|
L

A

S

S

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

Y

L

Q

Q

Y
x
F

R
|
R

A

L

I

L

E

E

F

N

S

K

L

I

-

G

-

V

-

L

-

Q

-

N

-

M

-

R

-

V

-

P

-

Y

-

N

-

R

-

H

-

Y

-

R

-

D

-

N

-

F

-

K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

P

S

H

-

E

E

H

Q

R

E

P

K

D

T

L

L

A

E

Q

L

V

V

R

E

S

A

A

W

Y

L

E

E

-

R

T

T

P

P

S

G

L

L

Y

E

D

P

V

H

S

G

L

F

Q

N

L

F

-

W

-

G

-

K

-

L

-

E

-

K

-

N

-

I

-

T

-

R

-

G

L

L

A

E

K

E

E

E

G

F

L

I

H

R

I

I

P

Q

A

A

S

K

H

E

L

E

E

S

R

E

D

E

W

K

T

E

Q

E

P

Q

Y

V

M

A

E

E

S

F

E

Q

A

K

V

Q

K

K

E

E

A

V

W

L

L

L

A

S

V

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-

I

-

Y

-

F

Y

Y

R

R

D

E

P

E

Q

P

K

R

Y

F

W

Q

D

V

L

P

Y

F

Q

Q

L

L

G

L

E

T

K

S

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

L

K

W
|
W

R

R

F

Y

R

N

H
|
H

V

V

T

C

T

M

V
|
V

E

H

R

R

V
x
M

I
x
L

G

G

F

S

K

K

R

A

G

G

T

T

G

G

T

S

G

S

G

G

V

Y

S

H

Y
|
Y

L
|
L

R

R

K

S

M

T

L

V

D

S

-

D

-

R

V

Y

V

K

L

V

F

F

P

V

E

D

I

L

W

F

K

N

L

L

R

S

T

T

D

Y

L

L

binding protoporphyrin ix containing fe: H37 (= H68), Y40 (≠ S71), L93 (= L121), F101 (≠ Y129), S112 (= S140), G113 (= G141), F114 (= F142), F119 (≠ Y147), R120 (= R148), W285 (= W252), H289 (= H256), V293 (= V260), M296 (≠ V263), L297 (≠ I264), Y311 (= Y278), L312 (= L279)
binding 1,5-anhydro-2,3-dideoxy-3-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]-D-threo-pentitol: Y3 (= Y39), Y6 (= Y42), F33 (= F64), H37 (= H68), L108 (= L136), A111 (≠ S139), G113 (= G141)

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)
28% identity, 87% coverage: 38:296/298 of query aligns to 38:369/403 of Q09474

query
sites
Q09474

S

T

Y

Y

G

S

D

E

Y

Y

L

L

Q

Q

L

L

D

D

A

K

I

I

L

L

T

T

A

A

Q

Q

K

R

P

L

L

K

S

S

P

E

A

A

H

D

-

G

-

Q

-

R

-

V

-

D

D

D

E

E

M

H

L

L

F

F

I

I

V

V

Q

I

H

H

Q

Q

T

A

S

H

E

E

L

L

W

W

M

F

K

K

L

Q

M

I

L

I

H

F

E

D

L

L

R

-

A

D

A

N

I

V

D

R

R

K

I

L

A

L

N

N

P

N

D

T

T

I

G

V

T

D

R

E

A

T

E

K

A

T

F

L

K

K

M

I

-

V

-

S

-

G

L

L

A

D

R

R

V

M

S

T

R

K

I

I

M

L

E

S

Q

L

L

L

V

T

S

E

A

Q

W

I

S

T

V

L

L

L

A

D

T

T

M

M

T

S

P
|
P

P
x
L

E
x
D

Y

F

T

V

A

D

M

F

R

R

P

K

Y

Y

L

L

A

T

S

P

S

A

S

S

G

G

F

F

Q

Q

S

S

Y

L

Q

Q

Y

F

-

R

-

V

-

L

-

E

-

N

-

K

-

L

-

G

-

V

-

R

-

Q

-

E

R

R

A

R

I

I

E

K

F

Y

S

N

-

A

-

Q

-

H

-

Y

-

K

-

N

-

V

L

F

G

N

N

D

K

T

N

D

A

L

A

K

M

T

L

L

K

N

P

V

H

T

E

E

H

E

R

E

P

K

D

S

L

L

A

T

Q

L

V

I

R

E

S

S

A

W

Y

L

E

E

-

R

T

T

P

P

S

G

L

L

Y

K

D

S

V

T

S

S

-

E

-

D

-

E

-

G

-

F

-

W

-

I

-

K

-

Y

-

E

-

K

-

S

-

V

-

N

-

K

-

Y

L

L

Q

A

L

D

L

L

A

A

K

K

E

Q

G

A

L

A

H

D

I

-

P

P

A

S

S

N

-

T

-

E

H

E

L

I

E

A

R

K

D

Q

W

L

T

T

Q

A

P

E

Y

Y

-

H

-

K

-

T

-

A

-

D

-

A

-

F

-

Q

-

S

-

I

-

L

-

D

-

P

-

R

-

Q

-

H

-

E

-

Q

-

H

-

I

-

R

-

N

-

G

-

N

-

R

-

L

M

L

E

S

S

H

E

D

A

A

V

T

K

K

E

G

A

A

W

M

L

M

A

I

-

Y

V

F

Y

Y

R

R

D

D

P

M

Q

P

K

R

Y

F

W

S

D

Q

L

P

Y

Y

Q

Q

L

I

G

L

E

T

K

F

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

F

R

T

L

K

W

W

R

R

F

Y

R

N

H

H

V

V

T

L

V

V

E

Q

R

R

V

M

I

L

G

G

F

A

K

K

R

Q

G

G

T

T

G

G

T

S

G

S

G

G

V

Y

S

M

Y

Y

L

L

R

R

K

S

M

T

L

V

D

S

-

D

-

R

V

Y

V

K

L

V

F

F

P

L

E

D

I

L

W

F

K

N

L

L

R

S

T

T

PLD 133:135 (≠ PPE 126:128) 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, 78% coverage: 37:267/298 of query aligns to 1:250/290 of 6a4iD

query
sites
6a4iD

M

L

S

I

Y
|
Y

G

G

D

N

Y
|
Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

S

S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F
|
F

I

I

V

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

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G
x
R

T

D

R

E

A

R

E

N

A

M

F

L

K

K

M

V

L

V

A

S

R

R

-

M

-

H

-

R

V

V

S

S

R

V

I

I

M

L

E

K

Q

L

L

L

V

V

S

Q

A

Q

W

F

S

S

V

I

L

L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

T

N

A

D

M

F

R

R

P

E

Y

Y

L

L

A

S

S

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

Y

L

Q

Q

Y
x
F

R

R

A

L

I

L

E

E

F

N

S

K

L

I

-

G

-

V

-

L

-

K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

P

S

H

-

E

E

H

Q

R

E

P

K

D

T

L

L

A

E

Q

L

V

V

R

E

S

A

A
x
W

Y

L

E

E

-
x
R

T
|
T

P
|
P

S

G

-

L

-

E

-

P

-

H

-

G

-

F

-

N

-

F

-

W

-

G

-

K

L

L

Y

E

D

E

V

V

S

L

L

L

Q

S

L

L

L

F

A

D

K

E

E

K

G

R

L

H

H

E

I

H

P

L

A

L

S

S

H

K

L

G

E

E

R

R

D

R

W

L

T

S

Q

Y

P

R

Y

A

M

L

E

Q

S

G

E

A

A

L

V

M

K

-

E

-

A

-

W

-

L
x
I

A

Y

V

F

Y

Y

R

R

D

E

P

E

Q

P

K

R

Y
x
F

W

Q

D

V

L

P

Y

F

Q

Q

L

L

G

L

E

T

K

S

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

L

K

W

W

R

R

F

Y

R

N

H
|
H

V

V

T

C

T

M

V
|
V

E

H

R

R

V
x
M

I

L

G

G

F

S

K

K

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y39), Y6 (= Y42), F33 (= F64), H37 (= H68), A111 (≠ S139)
binding protoporphyrin ix containing fe: F33 (= F64), H37 (= H68), Y40 (≠ S71), F101 (≠ Y129), S112 (= S140), G113 (= G141), F114 (= F142), F119 (≠ Y147), H239 (= H256), V243 (= V260), M246 (≠ V263)
binding tryptophan: R64 (≠ G95), W153 (≠ A178), R156 (vs. gap), T157 (= T181), P158 (= P182), I206 (≠ L223), F215 (≠ Y232)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 254

8qv7B Crystal structure of human tdo with alpha-methyl-l-tryptophan
30% identity, 77% coverage: 37:265/298 of query aligns to 1:272/310 of 8qv7B

query
sites
8qv7B

M

L

S

I

Y

Y

G

G

D

N

Y

Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

S

S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F

F

I

I

V

I

Q

T

H

H

Q

Q

T

A

S

Y

E

E

L

L

W

W

M

F

K

K

L

Q

M

I

L

L

H

W

E

E

L

L

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G
x
R

T

D

R
x
E

A

R

E

N

A

M

F

L

K

K

M

V

L

V

A

S

R

R

-

M

-

H

-

R

V

V

S

S

R

V

I

I

M

L

E

K

Q

L

L

L

V

V

S

Q

A

Q

W

F

S

S

V

I

L

L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y

F

T

N

A

D

M

F

R

R

P

E

Y

Y

L

L

A

S

S

P

S

A

S

S

G

G

F

F

Q

Q

S

S

Y

L

Q

Q

Y

F

R

R

A

L

I

L

E

E

F

N

S

K

L

I

-

G

-

V

-

L

-

Q

-

F

-

K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

P

S

H

-

E

E

H

Q

R

E

P

K

D

T

L

L

A

E

Q

L

V

V

R

E

S

A

A
x
W

Y

L

E

E

-
x
R

T
|
T

P
|
P

S

G

L

L

Y

E

D

P

V

H

S

G

L

F

Q

N

L

F

L

W

A

G

K

K

E

L

G

E

L

K

H

N

I

I

P

T

A

R

S

G

H

-

L

L

E

E

R

E

D

E

W

F

T

I

Q

R

P

Q

Y

V

M

A

E

E

S

F

E

Q

A

K

V

Q

K

K

E

E

A

V

W

L

L

L

A

S

V

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-

I

-

Y

-

F

Y

Y

R

R

D

E

P

E

Q

P

K

R

Y
x
F

W

Q

D

V

L

P

Y

F

Q

Q

L

L

G

L

E

T

K

S

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

L

K

W

W

R

R

F

Y

R

N

H

H

V

V

T

C

T

M

V

V

E

H

R

R

V

M

I

L

G

G

binding alpha-methyl-L-tryptophan: R64 (≠ G95), E66 (≠ R97), W155 (≠ A178), R158 (vs. gap), T159 (= T181), P160 (= P182), F239 (≠ Y232)

Sites not aligning to the query:

binding alpha-methyl-L-tryptophan: 309

6a4iA Crystal structure of human tdo inhibitor complex
28% identity, 87% coverage: 39:298/298 of query aligns to 3:313/322 of 6a4iA

query
sites
6a4iA

Y
|
Y

G

G

D

N

Y
|
Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

S

S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F
|
F

I

I

V

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

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G
x
R

T

D

R

E

A

R

E

N

A

M

F

L

K

K

M

V

L

V

A

S

R

R

-

M

-

H

-

R

V

V

S

S

R

V

I

I

M

L

E

K

Q

L

L

L

V

V

S

Q

A

Q

W

F

S

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

T

N

A

D

M

F

R

R

P

E

Y

Y

L

L

A

S

S

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

Y

L

Q

Q

Y
x
F

R

R

A

L

I

L

E

E

F

N

S

K

L

I

-

G

-

V

-

L

-

Q

-

N

-

M

-

N

-

F

-

K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

P

S

H

-

E

E

H

Q

R

E

P

K

D

T

L

L

A

E

Q

L

V

V

R

E

S

A

A
x
W

Y

L

E

E

-
x
R

T
|
T

P
|
P

S

G

L

L

Y

E

D

P

V

H

S

G

L

F

Q

N

L

F

-

W

-

G

-

K

-

L

-

E

-

K

-

N

-

I

-

T

-

R

-

G

L

L

A

E

K

E

E

E

G

F

L

I

H

R

I

I

P

Q

A

A

S

E

H

E

L

K

E

E

R

E

D

Q

W

V

T

A

Q

E

P

F

Y

Q

M

K

E

Q

S

K

E

E

A

V

V

L

K

L

E

S

A

L

W

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

L
x
I

A

Y

V

F

Y

Y

R

R

D

E

P

E

Q

P

K

R

Y
x
F

W

Q

D

V

L
x
P

Y

F

Q

Q

L

L

G

L

E

T

K

S

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

L

K

W
|
W

R

R

F

Y

R

N

H
|
H

V

V

T

C

T
x
M

V
|
V

E

H

R

R

V
x
M

I

L

G

G

F

-

K

-

R

-

G

-

T

-

G

S

G

G

T

S

G

S

G

G

V

Y

S

H

Y

Y

L
|
L

R

R

K

S

M

T

L

V

D

S

-

D

-

R

V

Y

V

K

L

V

F

F

P

V

E

D

I

L

W

F

K

N

L

L

R

S

T

T

D

Y

L

L

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y39), Y6 (= Y42), F33 (= F64), H37 (= H68), A111 (≠ S139)
binding protoporphyrin ix containing fe: F33 (= F64), H37 (= H68), Y40 (≠ S71), L93 (= L121), F101 (≠ Y129), S112 (= S140), G113 (= G141), F114 (= F142), F119 (≠ Y147), W270 (= W252), H274 (= H256), M277 (≠ T259), V278 (= V260), M281 (≠ V263), L292 (= L279)
binding tryptophan: R64 (≠ G95), W158 (≠ A178), R161 (vs. gap), T162 (= T181), P163 (= P182), I241 (≠ L223), F250 (≠ Y232), P253 (≠ L235)

6a4iB Crystal structure of human tdo inhibitor complex
29% identity, 88% coverage: 37:298/298 of query aligns to 1:295/309 of 6a4iB

query
sites
6a4iB

M

L

S

I

Y
|
Y

G

G

D

N

Y
|
Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

S

S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F
|
F

I

I

V

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

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G
x
R

T

D

R
x
E

A

R

E

N

A

M

F

L

K

K

M

V

L

V

A

S

R

R

-

M

-

H

-

R

V

V

S

S

R

V

I

I

M

L

E

K

Q

L

L

L

V

V

S

Q

A

Q

W

F

S

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y

F

T

N

A

D

M

F

R

R

P

E

Y

Y

L
|
L

A

S

S

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

Y

L

Q

Q

Y
x
F

R
|
R

A

L

I

L

E

E

F

N

S

K

L

I

-

G

-

V

-

L

-

K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

P

S

H

-

E

E

H

Q

R

E

P

K

D

T

L

L

A

E

Q

L

V

V

R

E

S

A

A
x
W

Y

L

E

E

-
x
R

T
|
T

P
|
P

S

G

L

L

Y

E

D

P

V

H

S

G

L

F

Q

N

L

F

L

W

A

G

K

K

E

L

G

E

L

K

H

N

I

I

P

T

A

R

S

G

H

-

L

L

E

E

R

E

D

E

W

F

T

Q

Q

V

P

A

Y

-

M

-

E

E

S

F

E

Q

A

K

V

Q

K

K

E

E

A

V

W

L

L

L

A

S

V

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-

I

-

Y

-

F

Y

Y

R

R

D

E

P

E

Q

P

K

R

Y

F

W

Q

D

V

L
x
P

Y

F

Q

Q

L

L

G

L

E

T

K

S

L

L

T

M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

L

K

W
|
W

R

R

F

Y

R

N

H
|
H

V

V

T

C

T

M

V
|
V

E

H

R

R

V

M

I

L

G

G

F

-

K

-

R

-

G

-

T

-

G

-

T

-

G

S

G

G

V

Y

S

H

Y

Y

L
|
L

R

R

K

S

M

T

L

V

D

S

-

D

-

R

V

Y

V

K

L

V

F

F

P

V

E

D

I

L

W

F

K

N

L

L

R

S

T

T

D

Y

L

L

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y39), Y6 (= Y42), F33 (= F64), H37 (= H68), L108 (= L136), A111 (≠ S139)
binding protoporphyrin ix containing fe: F33 (= F64), H37 (= H68), Y40 (≠ S71), L93 (= L121), S112 (= S140), G113 (= G141), F114 (= F142), F119 (≠ Y147), R120 (= R148), W255 (= W252), H259 (= H256), V263 (= V260), L274 (= L279)
binding tryptophan: R64 (≠ G95), E66 (≠ R97), W153 (≠ A178), R156 (vs. gap), T157 (= T181), P158 (= P182), P238 (≠ L235)

8r5qC Structure of apo tdo with a bound inhibitor
29% identity, 77% coverage: 37:265/298 of query aligns to 1:282/317 of 8r5qC

query
sites
8r5qC

M

L

S

I

Y
|
Y

G

G

D

N

Y
|
Y

L
|
L

Q

H

L

L

D

E

A

K

I

V

L

L

T

N

A

A

Q

Q

K

E

P

L

L

Q

S

S

P

E

A

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

M

H

L

L

F
|
F

I

I

V

I

Q

T

H
|
H

Q

Q

T

A

S

Y

E

E

L

L

W

W

M

F

K

K

L

Q

M

I

L

L

H

W

E

E

L

L

R

D

A

S

A

V

I

R

D

E

R

I

I

F

A

Q

N

N

P

G

D

H

T

V

G
x
R

T

D

R
x
E

A

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G

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M

D

D

I

I

E

D

D

S

A

L

F

M

R

T

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W

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F

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H
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H

V

V

T

C

T

M

V
|
V

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x
M

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L

G

G

binding 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline: Y3 (= Y39), Y6 (= Y42), L7 (= L43), F33 (= F64), H37 (= H68), F101 (≠ Y129), P110 (≠ S138), G113 (= G141), Q115 (= Q143), S116 (= S144), H273 (= H256), V277 (= V260), M280 (≠ V263)
binding alpha-methyl-L-tryptophan: R64 (≠ G95), E66 (≠ R97), W153 (≠ A178), R156 (vs. gap), P158 (= P182), F249 (≠ Y232)

Query Sequence

>Ac3H11_1156 FitnessBrowser__acidovorax_3H11:Ac3H11_1156
MCPFSHTPAPANEAPGTALPESIVHEERAQLDFSKSMSYGDYLQLDAILTAQKPLSPAHD
EMLFIVQHQTSELWMKLMLHELRAAIDRIANPDTGTRAEAFKMLARVSRIMEQLVSAWSV
LATMTPPEYTAMRPYLASSSGFQSYQYRAIEFSLGNKNAAMLKPHEHRPDLLAQVRSAYE
TPSLYDVSLQLLAKEGLHIPASHLERDWTQPYMESEAVKEAWLAVYRDPQKYWDLYQLGE
KLTDIEDAFRLWRFRHVTTVERVIGFKRGTGGTGGVSYLRKMLDVVLFPEIWKLRTDL

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