SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ga0059261_1376 FitnessBrowser__Korea:Ga0059261_1376 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)
51% identity, 99% coverage: 4:254/254 of query aligns to 40:299/299 of Q1LK00

query
sites
Q1LK00

D

D

M

M

T

S

Y

Y

G

G

R

D

Y

Y

L

L

A

G

L

L

D

D

Q

Q

L

I

L

L

S

S

A

A

Q

Q

H

H

P

P

I

L

S

S

D

P

E

D

H

H

D

N

E

E

L

M

L

L

F
|
F

V

I

I

V

I

Q

H

H

Q

Q

T

T

K

T

E

E

L

L

W

W

L

M

K

K

Q

L

A

M

I

L

A

H

E

E

L

L

R

R

V

A

A

A

L

R

D

D

L

G

V

V

R

K

N

S

D

D

K

Q

L

L

V

Q

E

P

A

A

Y

F

K

K

S

M

L

L

A

A

R

R

V

V

S

S

R

R

I

I

Q

M

A

D

V

Q

M

L

T

V

L

Q

S

A

W

W

E

N

V

V

L

L

T

A

T

T

M

M

T

T

P

P

S

P

D

E

Y
|
Y

S

S

A

A

F

M

R
|
R

S

P

V

Y

L

L

G

G

G

A

S

S

G

G

F

F

Q

Q

S

S

D

Y

Q

Q

F

Y

R

R

A

E

V

I

E

E

T

F

L

I

L

L

G

G

L

N

R

K

G

N

G

A

V

M

P

L

G

R

P

P

-

H

-

A

-

H

-

R

-

P

-

E

-

H

-

L

-

E

L

L

T

V

T

E

E

T

F

A

A

L

A

H

L

T

P

P

S

S

L

M

W

Y

D

D

E

E

A

A

N

I

A

R

A

L

L

M

A

A

R

R

A

R

D

G

F

F

D

Q

L

I

P

D

E

P

T

E

A

V

L

V

N

E

R

R

D

D

W

W

S

T

K

Q

P

P

Y

T

Q

Q

P

Y

S

N

P

A

E

S

V

V

E

E

A

A

W

W

V

L

Q

E

V

V

Y

Y

R

R

D

N

P

P

H

S

R

A

W

H

W

W

E

E

L

L

Y

Y

Q

E

L

L

A

G

E

E

K

K

L

F

V

V

D

D

I

L

D

E

D

D

A

A

L

F

A

R

T

Q

W

W

R

R

H

F

K

R

H

H

V

V

L

T

T

T

V

V

S

E

R

R

V

V

I

I

G

G

M

F

K

K

P

R

G

G

T
|
T

G

G

T

T

P

E

G

G

V

V

P

S

Y

Y

L

L

Q

R

S

R

T

M

V

L

A

D

K

V

R

V

A

L

F

F

P

P

E

E

L

L

W

W

S

K

L

L

R

R

T

T

L

D

L

L

F68 (= F32) mutation to A: Abolishes catalytic activity.
Y130 (= Y94) mutation to F: 15-fold increase in catalytic activity.
R134 (= R98) mutation to A: Abolishes catalytic activity.
T271 (= T226) mutation to A: Abolishes catalytic activity.

2noxB Crystal structure of tryptophan 2,3-dioxygenase from ralstonia metallidurans (see paper)
49% identity, 98% coverage: 4:252/254 of query aligns to 11:264/266 of 2noxB

query
sites
2noxB

D

D

M

M

T

S

Y

Y

G

G

R

D

Y

Y

L

L

A

G

L

L

D

D

Q

Q

L

I

L

L

S

S

A

A

Q

Q

H

H

P

P

I

L

S

S

D

P

E

D

H

H

D

N

E

E

L

M

L

L

F
|
F

V

I

I

V

I

Q

H
|
H

Q

Q

T

T

K
x
T

E

E

L

L

W

W

L

M

K

K

Q

L

A

M

I

L

A

H

E

E

L

L

R

R

V

A

A

A

L

R

D

D

L

G

V

V

R

K

N

S

D

D

K

Q

L

L

V

Q

E

P

A

A

Y

F

K

K

S

M

L

L

A

A

R

R

V

V

S

S

R

R

I

I

Q

M

A

D

V

Q

M

L

T

V

L

Q

S

A

W
|
W

E

N

V

V

L
|
L

T

A

T

T

M

M

T

T

P

P

S

P

D

E

Y

Y

S

S

A

A

F

M

R

R

S

P

V

Y

L

L

G

G

G

A

S

S

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

Y

Q

Q

F
x
Y

R
|
R

A

E

V

I

E

E

T

F

L

I

L

L

G

G

L

N

R

K

G

N

G

A

V

M

P

L

G

R

P

P

-

H

-

A

-

H

-

R

-

P

-

E

-

H

-

L

-

E

L

L

T

V

T

E

E

T

F

A

A

L

A

H

L

T

P

P

S

S

L

M

W

Y

D

D

E

E

A

A

N

I

A

R

A

L

L

M

A

A

R

R

A

R

D

G

F

F

D

Q

L

I

P

D

E

P

T

E

A

V

L

V

N

E

R

R

D

D

W

W

S

T

K

Q

P

P

Y

T

Q

Q

P

Y

S

N

P

A

E

S

V

V

E

E

A

A

W

W

V

L

Q

E

V

V

Y

Y

R

R

D

N

P

P

H

S

R

A

W

H

W

W

E

E

L

L

Y

Y

Q

E

L

L

A

G

E

E

K

K

L

F

V

V

D

D

I

L

D

E

D

D

A

A

L

F

A

R

T

Q

W

W

R

R

H

F

K

R

H
|
H

V

V

L

T

T

T

V
|
V

S

E

R

R

V

V

I

I

G

G

M

F

K

K

P

R

G

G

T
x
E

G

-

T

-

P

-

G

G

V

V

P

S

Y
|
Y

L
|
L

Q

R

S

R

T

M

V

L

A

D

K

V

R

V

A

L

F

F

P

P

E

E

L

L

W

W

S

K

L

L

R

R

T

T

binding protoporphyrin ix containing fe: F39 (= F32), H43 (= H36), T46 (≠ K39), W90 (= W83), L93 (= L86), S112 (= S105), G113 (= G106), F114 (= F107), Y119 (≠ F112), R120 (= R113), H228 (= H212), V232 (= V216), E242 (≠ T226), Y246 (= Y234), L247 (= L235)

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)
42% identity, 98% coverage: 5:252/254 of query aligns to 3:261/265 of 2nw9A

query
sites
2nw9A

M

L

T

T

Y

Y

G

G

R

G

Y

Y

L

L

A

R

L

L

D

D

Q

Q

L

L

S

S

A

A

Q

Q

H

Q

P

P

I

L

S

S

D

E

-

P

-

A

E

H

H

H

D

D

E

E

L

M

L

L

F
|
F

V

I

I

I

I

Q

H
|
H

Q

Q

T

T

K
x
S

E

E

L

L

W

W

L

L

K

K

Q

L

A

L

I

A

A

H

E

E

L

L

R

R

V

A

A

A

L

I

D

V

L

H

V

L

R

Q

N

R

D

D

K

E

L

V

V

W

E

Q

A

C

Y

R

K

K

S

V

L

L

A

A

R

R

V

S

S

K

R

Q

I

V

Q

L

A

R

V

Q

M

L

T

T

L

E

S

Q

W
|
W

E

S

V

V

L
|
L

T

E

T

T

M

L

T

T

P

P

S

S

D

E

Y
|
Y

S

M

A

G

F

F

R
|
R

S

D

V

V

L
|
L

G

G

G

P

S
|
S

S

S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
x
Y

R
|
R

A

Y

V

I

E

E

T

F

L

L

G

G

L

N

R

K

G

N

G

P

G

Q

V

M

P

L

G

Q

P

V

L

F

T

A

-

Y

-

D

-

P

-

A

-

G

-

Q

-

A

-

R

-

L

T

R

E

E

F

V

A

L

A

E

L

A

P

P

S

S

L

L

W

Y

D

E

E

E

A

F

N

L

A

R

A

Y

L

L

A

A

R

R

A

F

D

G

F

H

D

A

L

I

P

P

E

Q

T

Q

A

Y

L

Q

N

A

R

R

D

D

W

W

S

T

K

A

P

A

Y

H

Q

V

P

A

S

D

P

D

E

T

V

L

E

R

A

P

A

V

W

F

V

E

Q

R

V

I

Y

Y

R

E

D

N

P

T

H

D

R

R

W

Y

W

W

E

R

L

E

Y

Y

Q

S

L

L

A

C

E

E

K

D

L

L

V

V

D

D

I

V

D

E

D

T

A

Q

L

F

A

Q

T

L

W

W

R

R

H

F

K

R

H
|
H

V

M

L

R

T

T

V
|
V

S

M

R

R

V

V

I
|
I

G

G

M

F

K

K

P

R

G
|
G

T
|
T

G
|
G

G

G

T
x
S

P

S

G

G

V

V

P

G

Y

F

L

L

Q

Q

S

Q

T

A

V

L

A

A

K

L

R

T

A

F

F

F

P

P

E

E

L

L

W

F

S

D

L

V

R

R

T

T

binding 6-fluoro-l-tryptophan: F32 (= F32), H36 (= H36), Y94 (= Y94), R98 (= R98), L101 (= L101), S104 (= S104), G234 (= G225), T235 (= T226)
binding protoporphyrin ix containing fe: F32 (= F32), H36 (= H36), S39 (≠ K39), W83 (= W83), L86 (= L86), G106 (= G106), F107 (= F107), Y112 (≠ F112), R113 (= R113), H221 (= H212), V225 (= V216), I229 (= I220), G234 (= G225), G236 (= G227), S238 (≠ T229)

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)
42% identity, 98% coverage: 5:252/254 of query aligns to 22:280/298 of Q8PDA8

query
sites
Q8PDA8

M

L

T

T

Y

Y

G

G

R

G

Y

Y

L

L

A

R

L

L

D

D

Q

Q

L

L

S

S

A

A

Q

Q

H

Q

P

P

I

L

S

S

D

E

-

P

-

A

E

H

H

H

D

D

E

E

L

M

L

L

F
|
F

V
x
I

I
|
I

I
x
Q

H
|
H

Q

Q

T

T

K

S

E

E

L

L

W

W

L

L

K

K

Q

L

A

L

I

A

A

H

E

E

L

L

R

R

V

A

A

A

L

I

D

V

L

H

V

L

R

Q

N

R

D

D

K

E

L

V

V

W

E

Q

A

C

Y

R

K

K

S

V

L

L

A

A

R

R

V

S

S

K

R

Q

I

V

Q

L

A

R

V

Q

M

L

T

T

L

E

S

Q

W

W

E

S

V

V

L

L

T

E

T

T

M

L

T

T

P

P

S

S

D

E

Y
|
Y

S

M

A

G

F

F

R
|
R

S

D

V

V

L

L

G

G

G

P

S

S

G

G

F

F

Q

Q

S

S

D

L

Q

Q

F

Y

R

R

A

Y

V

I

E

E

T

F

L

L

G

G

L

N

R

K

G

N

G

P

G

Q

V

M

P

L

G

Q

P

V

L

F

T

A

-

Y

-

D

-

P

-

A

-

G

-

Q

-

A

-

R

-

L

T

R

E

E

F

V

A

L

A

E

L

A

P

P

S

S

L

L

W

Y

D

E

E

E

A

F

N

L

A

R

A

Y

L

L

A

A

R

R

A

F

D

G

F

H

D

A

L

I

P

P

E

Q

T

Q

A

Y

L

Q

N

A

R

R

D

D

W

W

S

T

K

A

P

A

Y

H

Q

V

P

A

S

D

P

D

E

T

V

L

E

R

A

P

A

V

W

F

V

E

Q

R

V

I

Y

Y

R

E

D

N

P

T

H

D

R

R

W

Y

W

W

E

R

L

E

Y

Y

Q

S

L

L

A

C

E

E

K

D

L

L

V

V

D

D

I

V

D

E

D

T

A

Q

L

F

A

Q

T

L

W

W

R

R

H

F

K

R

H
|
H

V

M

L

R

T

T

V

V

S

M

R

R

V

V

I

I

G

G

M

F

K

K

P

R

G

G

T
|
T

G

G

T

S

P

S

G

G

V

V

P

G

Y

F

L

L

Q

Q

S

Q

T

A

V

L

A

A

K

L

R

T

A

F

F

F

P

P

E

E

L

L

W

F

S

D

L

V

R

R

T

T

FIIQH 51:55 (≠ FVIIH 32:36) binding substrate
H55 (= H36) 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 (= Y94) binding substrate
R117 (= R98) binding substrate
H240 (= H212) binding axial binding residue
T254 (= T226) binding substrate

7p46A Crystal structure of xanthomonas campestris tryptophan 2,3-dioxygenase (tdo) (see paper)
42% identity, 98% coverage: 5:252/254 of query aligns to 18:276/281 of 7p46A

query
sites
7p46A

M

L

T

T

Y

Y

G

G

R

G

Y

Y

L

L

A

R

L

L

D

D

Q

Q

L

L

S

S

A

A

Q

Q

H

Q

P

P

I

L

S

S

D

E

-

P

-

A

E

H

H

H

D

D

E

E

L

M

L

L

F
|
F

V

I

I

I

I

Q

H
x
S

Q

Q

T

T

K
x
S

E

E

L

L

W

W

L

L

K

K

Q

L

A

L

I

A

A

H

E

E

L

L

R

R

V

A

A

A

L

I

D

V

L

H

V

L

R

Q

N

R

D

D

K

E

L

V

V

W

E

Q

A

C

Y

R

K
|
K

S

V

L

L

A
|
A

R

R

V

S

S

K

R

Q

I

V

Q

L

A

R

V

Q

M

L

T

T

L

E

S

Q

W
|
W

E

S

V

V

L

L

T

E

T

T

M

L

T

T

P

P

S

S

D

E

Y
|
Y

S

M

A

G

F

F

R
|
R

S

D

V

V

L

L

G

G

G

P

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
x
Y

R
|
R

A

Y

V

I

E

E

T

F

L

L

G

G

L

N

R

K

G

N

G

P

G

Q

V

M

P

L

G

Q

P

V

L

F

T

A

-

Y

-

D

-

P

-

A

-

G

-

Q

-

A

-

R

-

L

T

R

E

E

F

V

A

L

A

E

L

A

P

P

S

S

L

L

W

Y

D

E

E

E

A

F

N

L

A

R

A

Y

L

L

A

A

R

R

A

F

D

G

F

H

D

A

L

I

P

P

E

Q

T

Q

A

Y

L

Q

N

A

R

R

D

D

W

W

S

T

K

A

P

A

Y

H

Q

V

P

A

S

D

P

D

E

T

V

L

E

R

A

P

A

V

W

F

V

E

Q

R

V

I

Y

Y

R

E

D

N

P

T

H

D

R

R

W

Y

W

W

E

R

L

E

Y
|
Y

Q
x
S

L

L

A

C

E
|
E

K

D

L

L

V

V

D
|
D

I

V

D

E

D

T

A

Q

L

F

A

Q

T

L

W

W

R

R

H

F

K

R

H
|
H

V

M

L

R

T

T

V
|
V

S

M

R

R

V

V

I

I

G

G

M

F

K

K

P

R

G
|
G

T
|
T

G
|
G

G

G

T
x
S

P

S

G

G

V

V

P

G

Y

F

L

L

Q

Q

S

Q

T

A

V

L

A

A

K

L

R

T

A

F

F

F

P

P

E

E

L

L

W

F

S

D

L

V

R

R

T

T

binding protoporphyrin ix containing fe: S51 (≠ H36), S54 (≠ K39), W98 (= W83), S120 (= S105), G121 (= G106), F122 (= F107), Y127 (≠ F112), R128 (= R113), H236 (= H212), V240 (= V216), G249 (= G225), G251 (= G227), S253 (≠ T229)
binding (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid: F47 (= F32), S51 (≠ H36), Y109 (= Y94), R113 (= R98), S119 (= S104), G249 (= G225), T250 (= T226)
binding tryptophan: K82 (= K67), A85 (= A70), Y216 (= Y192), S217 (≠ Q193), E220 (= E196), D224 (= D200)

1yw0A Crystal structure of the tryptophan 2,3-dioxygenase from xanthomonas campestris. Northeast structural genomics target xcr13.
38% identity, 97% coverage: 6:252/254 of query aligns to 1:239/243 of 1yw0A

query
sites
1yw0A

T

T

Y

Y

G

G

R

G

Y

Y

L

L

A

R

L

L

D

D

Q

Q

L

L

S

S

A
|
A

Q
|
Q

H
x
Q

P

P

I

L

S

S

D

E

-

P

-

A

E

H

H

H

D

D

E

E

L

M

L

L

F

F

V

I

I

I

I

Q

H

H

Q

Q

T

T

K

S

E

E

L

L

W

W

L

L

K

K

Q

L

A

L

I

A

A

H

E

E

L

L

R

R

V

A

A

A

L

I

D

V

L

H

V

L

R

Q

N

R

D

D

K

E

L

V

V

W

E

Q

A

C

Y

R

K

K

S

V

L

L

A

A

R

R

V

S

S

K

R

Q

I

V

Q

L

A

R

V

Q

M

L

T

T

L

E

S

Q

W

W

E

S

V

V

L

L

T

E

T

T

M

L

T

T

P

P

S

S

D

E

Y

Y

S

M

A

G

F

F

R

R

S

D

V

V

L

L

G

-

S

-

G

G

F

F

Q

Q

S

S

D

L

Q

Q

F

Y

R

R

A

Y

V

I

E

E

T

F

L

L

G

G

L

N

R

K

G

N

G

P

G

Q

V

M

P

L

G

Q

P

V

L

F

T

A

-

Y

-

D

-

P

-

A

-

G

-

Q

-

A

-

R

-

L

T

R

E

E

F

V

A

L

A

E

L

A

P

P

S

S

L

L

W

Y

D

E

E

E

A

F

N

L

A

R

A

Y

L

L

A

A

R

R

A

F

D

G

F

H

D

A

L

I

P

P

E

Q

T

Q

A

Y

L

Q

N

A

R

R

D

D

W

W

S

T

K

A

P

A

Y

H

Q

V

P

A

S

D

P

D

E

T

V

L

E

R

A

P

A

V

W

F

V

E

Q

R

V

I

Y

Y

R

E

D

N

P

T

H

D

R

R

W

Y

W

W

E

R

L

E

Y

Y

Q

S

L

L

A

C

E

E

K

D

L

L

V

V

D

D

I

V

D

E

D

T

A

Q

L

F

A

Q

T

L

W

W

R

R

H

F

K

R

H

H

V

M

L

R

T

T

V

V

S

M

R

R

V

V

I

I

G

G

M

F

K

-

P

-

G

-

T

-

G

-

T

-

P

-

G

-

V

-

P

-

Y

-

L

-

Q

-

S

-

T

A

V

L

A

A

K

L

R

T

A

F

F

F

P

P

E

E

L

L

W

F

S

D

L

V

R

R

T

T

binding magnesium ion: A14 (= A19), Q15 (= Q20), Q16 (≠ H21)

6pyzC Crystal structure of human tryptophan 2,3-dioxygenase in complex with pf-06840003 in active site (see paper)
30% identity, 98% coverage: 5:254/254 of query aligns to 2:314/333 of 6pyzC

query
sites
6pyzC

M

L

T

I

Y
|
Y

G

G

R

N

Y
|
Y

L

L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K
x
Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-
x
E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L
|
L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y

F

S

N

A

D

F

F

R

R

S

E

V

Y

L

L

G

S

G

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
|
F

R
|
R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

-

V

L

L

R

Q

G

N

G

M

G

R

V

V

P

P

G

Y

P

H

L

Y

T

R

T

D

E

N

F

F

A

K

A

G

-

E

-

N

-

E

-

L

-

K

-

S

-

E

-

Q

-

E

-

K

-

T

-

L

-

E

L

L

P

V

S

E

L

A

W
|
W

D

L

E

E

A
x
R

N
x
T

A
x
P

A

G

L

L

A

E

R

P

A

H

D

G

F

F

D

N

L

F

-

W

-

G

-

K

P

L

E

E

T

K

A

N

L

I

N

T

R

R

D

G

W

L

S

E

K

E

-

E

-

A

P

E

Y

F

Q

Q

P

K

S

Q

P

K

E

E

V

V

-

L

-

S

-

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

E

G

A

A

A

L

W

M

V

I

Q

Y

V

F

Y

Y

R

R

D

E

P

E

H

P

R

R

W
x
F

W

Q

E

V

L

P

Y

F

Q

Q

L

L

A

L

E

T

K

S

L

L

V

M

D

D

I

I

D

D

D

S

A

L

L

M

A

T

T

K

W

W

R

R

H

Y

K

N

H
|
H

V

V

L

C

T
x
M

V
|
V

S

H

R

R

V
x
M

I

L

G

G

M

S

K

K

P

A

G
|
G

T
|
T

G
|
G

G

G

T
x
S

P

S

G

G

V

Y

P

H

Y
|
Y

L
|
L

Q

R

S

S

T

T

V

V

A

S

K

D

R

R

-

Y

-

K

A

V

F

F

P

V

E

D

L

L

W

F

S

N

L

L

R

S

T

T

L

Y

L

L

binding (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione: Y4 (= Y7), Y7 (= Y10), F34 (= F32), H38 (= H36), A112 (≠ S104), S113 (= S105), T284 (= T226)
binding protoporphyrin ix containing fe: H38 (= H36), Y41 (≠ K39), L94 (= L86), G114 (= G106), F115 (= F107), F120 (= F112), R121 (= R113), H270 (= H212), M273 (≠ T215), V274 (= V216), M277 (≠ V219), G283 (= G225), G285 (= G227), S287 (≠ T229), Y292 (= Y234), L293 (= L235)
binding alpha-methyl-L-tryptophan: R65 (vs. gap), E67 (vs. gap), W167 (= W141), R170 (≠ A144), T171 (≠ N145), P172 (≠ A146), F246 (≠ W188)

5ti9C Crystal structure of human tdo in complex with trp and dioxygen, northeast structural genomics consortium target hr6161 (see paper)
31% identity, 98% coverage: 5:254/254 of query aligns to 1:307/326 of 5ti9C

query
sites
5ti9C

M

L

T

I

Y

Y

G

G

R

N

Y

Y

L

L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K
x
Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-
x
E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L
|
L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y

F

S

N

A

D

F

F

R
|
R

S

E

V

Y

L
|
L

G

S

G

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
|
F

R
|
R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

-

V

-

L

-

Q

-

N

-

R

-

D

-

N

L

F

R

K

G

G

G

E

V

N

P

E

G

L

P

L

L

L

T

K

T

S

E

E

-

Q

-

E

-

K

-

T

F

L

A

L

A

E

L

L

P

V

S

E

L

A

W
|
W

D

L

E

E

A
x
R

N
x
T

A
x
P

A

G

L

L

A

E

R

P

A

H

D

G

F

F

D

N

L

F

-

W

-

G

-

K

P

L

E

E

T

K

A

N

L

I

N

T

R

R

D

G

W

L

S

E

K

E

P

E

-

F

-

I

-

R

Y

F

Q

Q

P

K

S

Q

P

K

E

E

V

V

-

L

-

S

-

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

E

G

A

A

A

L

W

M

V
x
I

Q

Y

V

F

Y

Y

R

R

D

E

P

E

H

P

R

R

W
x
F

W

Q

E

V

L
x
P

Y

F

Q

Q

L

L

A

L

E

T

K

S

L

L

V

M

D

D

I

I

D

D

D

S

A

L

L

M

A

T

T

K

W
|
W

R

R

H

Y

K

N

H
|
H

V

V

L

C

T

M

V
|
V

S

H

R

R

V
x
M

I
x
L

G

G

M

S

K

K

P

A

G
|
G

T
|
T

G
|
G

G

G

T
x
S

P

S

G

G

V

Y

P

H

Y

Y

L
|
L

Q

R

S

S

T

T

V

V

A

S

K

D

R

R

-

Y

-

K

A

V

F

F

P

V

E

D

L

L

W

F

S

N

L

L

R

S

T

T

L

Y

L

L

binding protoporphyrin ix containing fe: H37 (= H36), Y40 (≠ K39), L93 (= L86), S112 (= S105), G113 (= G106), F114 (= F107), F119 (= F112), R120 (= R113), W259 (= W208), H263 (= H212), V267 (= V216), M270 (≠ V219), G276 (= G225), G278 (= G227), S280 (≠ T229), L286 (= L235)
binding N'-Formylkynurenine: F33 (= F32), H37 (= H36), R105 (= R98), L108 (= L101), A111 (≠ S104), S112 (= S105), G113 (= G106), L271 (≠ I220), G276 (= G225), T277 (= T226)
binding tryptophan: R64 (vs. gap), E66 (vs. gap), W159 (= W141), R162 (≠ A144), T163 (≠ N145), P164 (≠ A146), I230 (≠ V179), F239 (≠ W188), P242 (≠ L191)

6a4iD Crystal structure of human tdo inhibitor complex
31% identity, 98% coverage: 5:254/254 of query aligns to 1:275/290 of 6a4iD

query
sites
6a4iD

M

L

T

I

Y
|
Y

G

G

R

N

Y
|
Y

L

L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K
x
Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-

E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L

L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y
x
F

S

N

A

D

F

F

R

R

S

E

V

Y

L

L

G

S

G

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
|
F

R

R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

-

V

L

L

R

K

G

G

G

E

V

N

P

E

G

L

P

L

L

L

T

K

T

S

E

E

-

Q

-

E

-

K

-

T

F

L

A

L

A

E

L

L

P

V

S

E

L

A

W
|
W

D

L

E

E

A
x
R

N
x
T

A
x
P

A

G

L

L

A

E

R

P

A

H

D

G

F

F

D

N

-

F

-

W

-

G

-

K

L

L

P

E

E

E

T

V

A

L

L

L

N

S

R

L

D

F

W

D

S

E

K

K

P

R

Y

H

Q

E

-

H

-

L

P

S

S

K

P

G

E

E

V

R

E

R

A

L

A

S

W

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

V
x
I

Q

Y

V

F

Y

Y

R

R

D

E

P

E

H

P

R

R

W
x
F

W

Q

E

V

L

P

Y

F

Q

Q

L

L

A

L

E

T

K

S

L

L

V

M

D

D

I

I

D

D

D

S

A

L

L

M

A

T

T

K

W

W

R

R

H

Y

K

N

H
|
H

V

V

L

C

T

M

V
|
V

S

H

R

R

V
x
M

I

L

G

G

M

S

K

K

P

-

G

-

T

-

G

-

T

-

P

-

G

-

V

Y

P

H

Y

Y

L
|
L

Q

R

S

S

T

T

V

V

A

S

K

D

R

R

-

Y

-

K

A

V

F

F

P

V

E

D

L

L

W

F

S

N

L

L

R

S

T

T

L

Y

L

L

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y7), Y6 (= Y10), F33 (= F32), H37 (= H36), A111 (≠ S104)
binding protoporphyrin ix containing fe: F33 (= F32), H37 (= H36), Y40 (≠ K39), F101 (≠ Y94), S112 (= S105), G113 (= G106), F114 (= F107), F119 (= F112), H239 (= H212), V243 (= V216), M246 (≠ V219), L254 (= L235)
binding tryptophan: R64 (vs. gap), W153 (= W141), R156 (≠ A144), T157 (≠ N145), P158 (≠ A146), I206 (≠ V179), F215 (≠ W188)

6a4iB Crystal structure of human tdo inhibitor complex
30% identity, 98% coverage: 5:254/254 of query aligns to 1:295/309 of 6a4iB

query
sites
6a4iB

M

L

T

I

Y
|
Y

G

G

R

N

Y
|
Y

L

L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K
x
Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-
x
E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L
|
L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y

F

S

N

A

D

F

F

R

R

S

E

V

Y

L
|
L

G

S

G

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
|
F

R
|
R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

-

V

L

L

R

K

G

G

G

E

V

N

P

E

G

L

P

L

L

L

T

K

T

S

E

E

-

Q

-

E

-

K

-

T

F

L

A

L

A

E

L

L

P

V

S

E

L

A

W
|
W

D

L

E

E

A
x
R

N
x
T

A
x
P

A

G

L

L

A

E

R

P

A

H

D

G

F

F

D

N

L

F

-

W

-

G

-

K

P

L

E

E

T

K

A

N

L

I

N

T

R

R

D

G

W

L

S

E

K

E

-

E

-

F

-

Q

-

V

-

A

P

E

Y

F

Q

Q

P

K

S

Q

P

K

E

E

V

V

-

L

-

S

-

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

E

G

A

A

A

L

W

M

V

I

Q

Y

V

F

Y

Y

R

R

D

E

P

E

H

P

R

R

W

F

W

Q

E

V

L
x
P

Y

F

Q

Q

L

L

A

L

E

T

K

S

L

L

V

M

D

D

I

I

D

D

D

S

A

L

L

M

A

T

T

K

W
|
W

R

R

H

Y

K

N

H
|
H

V

V

L

C

T

M

V
|
V

S

H

R

R

V

M

I

L

G

G

M

-

K

-

P

-

G

-

T

-

G

-

T

-

P

S

G

G

V

Y

P

H

Y

Y

L
|
L

Q

R

S

S

T

T

V

V

A

S

K

D

R

R

-

Y

-

K

A

V

F

F

P

V

E

D

L

L

W

F

S

N

L

L

R

S

T

T

L

Y

L

L

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y7), Y6 (= Y10), F33 (= F32), H37 (= H36), L108 (= L101), A111 (≠ S104)
binding protoporphyrin ix containing fe: F33 (= F32), H37 (= H36), Y40 (≠ K39), L93 (= L86), S112 (= S105), G113 (= G106), F114 (= F107), F119 (= F112), R120 (= R113), W255 (= W208), H259 (= H212), V263 (= V216), L274 (= L235)
binding tryptophan: R64 (vs. gap), E66 (vs. gap), W153 (= W141), R156 (≠ A144), T157 (≠ N145), P158 (≠ A146), P238 (≠ L191)

6a4iA Crystal structure of human tdo inhibitor complex
28% identity, 98% coverage: 5:254/254 of query aligns to 1:313/322 of 6a4iA

query
sites
6a4iA

M

L

T

I

Y
|
Y

G

G

R

N

Y
|
Y

L

L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K
x
Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-

E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L
|
L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y
x
F

S

N

A

D

F

F

R

R

S

E

V

Y

L

L

G

S

G

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
|
F

R

R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

-

V

L

L

R

Q

G

N

G

M

G

N

V

F

P

K

G

G

P

E

-

E

-

N

-

E

-

L

L

L

T

K

T

S

E

E

-

Q

-

E

-

K

-

T

F

L

A

L

A

E

L

L

P

V

S

E

L

A

W
|
W

D

L

E

E

A
x
R

N
x
T

A
x
P

A

G

L

L

A

E

R

P

A

H

D

G

F

F

D

N

L

F

-

W

-

G

-

K

P

L

E

E

T

K

A

N

L

I

N

T

R

R

D

G

W

L

S

E

K

E

-

E

-

F

-

I

-

R

-

I

-

Q

-

A

-

E

-

K

-

E

-

Q

-

V

-

A

P

E

Y

F

Q

Q

P

K

S

Q

P

K

E

E

V

V

E

L

A

L

A

S

W

L

V

F

Q

D

V

E

Y

K

R

R

D

H

P

E

H

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-
x
I

-

Y

-

F

-

Y

-

R

-

E

-

P

R

R

W
x
F

W

Q

E

V

L
x
P

Y

F

Q

Q

L

L

A

L

E

T

K

S

L

L

V

M

D

D

I

I

D

D

D

S

A

L

L

M

A

T

T

K

W
|
W

R

R

H

Y

K

N

H
|
H

V

V

L

C

T
x
M

V
|
V

S

H

R

R

V
x
M

I

L

G

G

M

-

K

-

P

-

G

-

T

-

G

S

G

G

T

S

P

S

G

G

V

Y

P

H

Y

Y

L
|
L

Q

R

S

S

T

T

V

V

A

S

K

D

R

R

-

Y

-

K

A

V

F

F

P

V

E

D

L

L

W

F

S

N

L

L

R

S

T

T

L

Y

L

L

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y7), Y6 (= Y10), F33 (= F32), H37 (= H36), A111 (≠ S104)
binding protoporphyrin ix containing fe: F33 (= F32), H37 (= H36), Y40 (≠ K39), L93 (= L86), F101 (≠ Y94), S112 (= S105), G113 (= G106), F114 (= F107), F119 (= F112), W270 (= W208), H274 (= H212), M277 (≠ T215), V278 (= V216), M281 (≠ V219), L292 (= L235)
binding tryptophan: R64 (vs. gap), W158 (= W141), R161 (≠ A144), T162 (≠ N145), P163 (≠ A146), I241 (vs. gap), F250 (≠ W188), P253 (≠ L191)

8vzvCCC Tryptophan 2,3-dioxygenase (see paper)
29% identity, 98% coverage: 5:254/254 of query aligns to 2:307/326 of 8vzvCCC

query
sites
8vzvCCC

M

L

T

I

Y
|
Y

G

G

R

N

Y
|
Y

L

L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K
x
Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-
x
E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L
|
L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y

F

S

N

A

D

F

F

R

R

S

E

V

Y

L

L

G

S

G

P

S

A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
|
F

R
|
R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

-

V

L

L

R

Q

G

N

G

M

G

R

V

V

P

P

G

H

P

Y

-

R

-

D

-

N

-

F

-

K

-

G

-

E

-

N

-

E

-

L

L

L

T

K

T

S

E

E

-

Q

-

E

-

K

-

T

F

L

A

L

A

E

L

L

P

V

S

E

L

A

W
|
W

D

L

E

E

A
x
R

N
x
T

A
x
P

A

G

L

L

A

E

R

P

A

H

D

G

F

F

D

N

L

F

-

W

-

G

-

K

P

L

E

E

T

K

A

N

L

I

N

T

R

R

D

G

W

L

S

E

K

E

-

E

-

Q

-

V

-

A

P

E

Y

F

Q

Q

P

K

S

Q

P

K

E

E

V

V

-

L

-

S

-

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

E

G

A

A

A

L

W

M

V

I

Q

Y

V

F

Y

Y

R

R

D

E

P

E

H

P

R

R

W
x
F

W

Q

E

V

L

P

Y

F

Q

Q

L

L

A

L

E

T

K

S

L

L

V

M

D

D

I

I

D

D

D

S

A

L

L

M

A

T

T

K

W
|
W

R

R

H

Y

K

N

H
|
H

V

V

L

C

T
x
M

V
|
V

S

H

R

R

V
x
M

I

L

G

G

M

-

K

-

P

-

G

-

T

-

G

-

T

-

P

-

G

G

V

Y

P

H

Y

Y

L
|
L

Q

R

S

S

T

T

V

V

A

S

K

D

R

R

-

Y

-

K

A

V

F

F

P

V

E

D

L

L

W

F

S

N

L

L

R

S

T

T

L

Y

L

L

binding 6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole: Y4 (= Y7), Y7 (= Y10)
binding protoporphyrin ix containing fe: F34 (= F32), H38 (= H36), Y41 (≠ K39), L94 (= L86), S113 (= S105), G114 (= G106), F115 (= F107), F120 (= F112), R121 (= R113), W268 (= W208), H272 (= H212), M275 (≠ T215), V276 (= V216), M279 (≠ V219), L286 (= L235)
binding alpha-methyl-L-tryptophan: R65 (vs. gap), E67 (vs. gap), W166 (= W141), R169 (≠ A144), T170 (≠ N145), P171 (≠ A146), F248 (≠ W188)

7lu7CCC Tryptophan 2,3-dioxygenase (see paper)
28% identity, 98% coverage: 5:254/254 of query aligns to 2:305/323 of 7lu7CCC

query
sites
7lu7CCC

M

L

T

I

Y
|
Y

G

G

R

N

Y
|
Y

L

L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K
x
Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-
x
E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L

L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y

F

S

N

A

D

F

F

R

R

S

E

V

Y

L

L

G

S

G

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
|
F

R
|
R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

-

V

-

L

-

Q

-

N

-

M

-

R

-

Y

-

R

-

D

-

N

L

F

R

K

G

G

G

E

V

N

P

E

G

L

P

L

L

L

T

K

T

S

E

E

-

Q

-

E

-

K

-

T

F

L

A

L

A

E

L

L

P

V

S

E

L

A

W
|
W

D

L

E

E

A
x
R

N
x
T

A
x
P

A

G

L

L

A

E

R

P

A

H

D

G

F

F

D

N

L

F

-

W

-

G

-

K

P

L

E

E

T

K

A

N

L

I

N

T

R

R

D

G

W

L

S

E

K

E

-

E

-

Q

-

V

-

A

P

E

Y

F

Q

Q

P

K

S

Q

P

K

E

E

V

V

-

L

-

S

-

L

-

F

-

D

-

E

-

K

-

R

-

H

-

E

-

H

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

E

G

A

A

A

L

W

M

V

I

Q

Y

V

F

Y

Y

R

R

D

E

P

E

H

P

R

R

W
x
F

W

Q

E

V

L
x
P

Y

F

Q

Q

L

L

A

L

E

T

K

S

L

L

V

M

D

D

I

I

D

D

D

S

A

L

L

M

A

T

T

K

W
|
W

R

R

H

Y

K

N

H
|
H

V

V

L

C

T

M

V
|
V

S

H

R

R

V

M

I

L

G

G

M

-

K

-

P

-

G

-

T

-

G

-

T

-

P

-

G

S

V

Y

P

H

Y

Y

L

L

Q

R

S

S

T

T

V

V

A

S

K

D

R

R

-

Y

-

K

A

V

F

F

P

V

E

D

L

L

W

F

S

N

L

L

R

S

T

T

L

Y

L

L

binding (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol: Y4 (= Y7), Y7 (= Y10), F34 (= F32), H38 (= H36), A112 (≠ S104), G114 (= G106)
binding protoporphyrin ix containing fe: H38 (= H36), Y41 (≠ K39), S113 (= S105), G114 (= G106), F115 (= F107), F120 (= F112), R121 (= R113), W266 (= W208), H270 (= H212), V274 (= V216)
binding alpha-methyl-L-tryptophan: R65 (vs. gap), E67 (vs. gap), W163 (= W141), R166 (≠ A144), T167 (≠ N145), P168 (≠ A146), F246 (≠ W188), P249 (≠ L191)

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)
46% identity, 45% coverage: 7:121/254 of query aligns to 27:151/379 of P20351

query
sites
P20351

Y

Y

G

G

R

E

Y

Y

L

L

A

M

L

L

D

D

Q

K

L

L

S

D

A

A

Q

Q

H

C

P

M

I

L

S

S

D

E

E

E

-

D

-

K

-

R

-

P

-

V

H

H

D

D

E

E

L

H

L

L

F

F

V

I

I

I

I

T

H

H

Q

Q

T

A

K

Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

I

A

F

E

E

-

F

-

D

-

S

L

I

R

R

V

D

A

M

L

L

D

D

-

A

-

E

L

V

V

I

R

D

N

E

D

T

K

K

L

T

V

L

E

E

A

I

Y

V

K

K

S

R

L

L

A

N

R

R

V

V

S

V

R

L

I

I

Q

L

A

K

V

L

M

L

T

V

L

D

S

Q

W

V

E

P

V

I

L

L

T

E

T

T

M

M

T

T

P

P

S

L

D
|
D

Y

F

S

M

A

D

F

F

R

R

S

K

V

Y

L

L

G

A

G

P

S

A

S

S

G

G

F

F

Q

Q

S

S

D

L

Q

Q

F

F

R

R

A

L

V

I

E

E

T

N

L

K

L

L

G

G

L

V

D123 (= D93) mutation to A: Strongly reduced enzyme activity.

Sites not aligning to the query:

236 Y→F: Strongly reduced enzyme activity.
309 R→A: Strongly reduced enzyme activity.
312 binding axial binding residue
335 Y→F: Strongly reduced enzyme activity.

4hkaA Crystal structure of drosophila melanogaster tryptophan 2,3- dioxygenase in complex with heme (see paper)
46% identity, 45% coverage: 7:121/254 of query aligns to 4:128/345 of 4hkaA

query
sites
4hkaA

Y

Y

G

G

R

E

Y

Y

L

L

A

M

L

L

D

D

Q

K

L

L

S

D

A

A

Q

Q

H

C

P

M

I

L

S

S

D

E

E

E

-

D

-

K

-

R

-

P

-

V

H

H

D

D

E

E

L

H

L

L

F

F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K
x
Y

E

E

L

L

W

W

L
x
F

K

K

Q

Q

A

I

I

I

A

F

E

E

-

F

-

D

-

S

L

I

R

R

V

D

A

M

L

L

D

D

-

A

-

E

L

V

V

I

R

D

N

E

D

T

K

K

L

T

V

L

E

E

A

I

Y

V

K

K

S

R

L

L

A

N

R

R

V

V

S

V

R

L

I

I

Q

L

A

K

V

L

M

L

T

V

L

D

S

Q

W

V

E

P

V

I

L
|
L

T

E

T

T

M

M

T

T

P

P

S

L

D

D

Y
x
F

S

M

A

D

F

F

R

R

S

K

V

Y

L

L

G

A

G

P

S

A

S

S

G

G

F
|
F

Q
|
Q

S

S

D

L

Q

Q

F
|
F

R

R

A

L

V

I

E

E

T

N

L

K

L

L

G

G

L

V

binding protoporphyrin ix containing fe: H38 (= H36), Y41 (≠ K39), F45 (≠ L43), L93 (= L86), F101 (≠ Y94), F114 (= F107), Q115 (= Q108), F119 (= F112)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 136, 285, 289, 293, 312, 313

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)
40% identity, 46% coverage: 6:122/254 of query aligns to 38:164/403 of Q09474

query
sites
Q09474

T

T

Y

Y

G

S

R

E

Y

Y

L

L

A

Q

L

L

D

D

Q

K

L

I

L

L

S

T

A

A

Q

Q

H

R

P

L

I

K

S

S

D

E

E

A

H

D

-

G

-

Q

-

R

-

V

-

D

D

D

E

E

L

H

L

L

F

F

V

I

I

V

I

I

H

H

Q

Q

T

A

K

H

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

I

A

F

E

D

L

L

R

D

V

N

A

V

L

R

D

K

L

L

V

L

R

N

N

N

D

T

-

I

-

V

-

D

-

E

-

T

K

K

L

T

V

L

E

K

A

I

Y

V

K

S

S

G

L

L

A

D

R

R

V

M

S

T

R

K

I

I

Q

L

A

S

V

L

M

L

T

T

L

E

S

Q

W

I

E

T

V

L

L

L

T

D

T

T

M

M

T

S

P
|
P

S
x
L

D
|
D

Y

F

S

V

A

D

F

F

R

R

S

K

V

Y

L

L

G

T

G

P

S

A

S

S

G

G

F

F

Q

Q

S

S

D

L

Q

Q

F

F

R

R

A

V

V

L

E

E

T

N

L

K

L

L

G

G

L

V

R

R

PLD 133:135 (≠ PSD 91:93) 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.

8r5qA Structure of apo tdo with a bound inhibitor (see paper)
34% identity, 58% coverage: 5:151/254 of query aligns to 1:158/314 of 8r5qA

query
sites
8r5qA

M

L

T

I

Y
|
Y

G

G

R

N

Y
|
Y

L
|
L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K

Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-
x
E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L

L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y
x
F

S

N

A

D

F

F

R

R

S

E

V

Y

L

L

G

S

G
x
P

S

A

S

S

G
|
G

F
|
F

Q
|
Q

S
|
S

D

L

Q

Q

F

F

R

R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

L

V

R

L

G

Q

G

K

G

G

V

E

P

E

G

N

P

E

L

L

T

L

E

K

F

S

A

E

A

Q

L

E

P

K

S

T

L

L

W

L

D

E

E

L

A

V

N

E

A

A

A
x
W

L

L

A

E

R
|
R

A
x
T

binding 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline: Y3 (= Y7), Y6 (= Y10), L7 (= L11), F33 (= F32), H37 (= H36), F101 (≠ Y94), P110 (≠ G103), G113 (= G106), F114 (= F107), Q115 (= Q108), S116 (= S109)
binding alpha-methyl-L-tryptophan: R64 (vs. gap), E66 (vs. gap), W154 (≠ A147), R157 (= R150), T158 (≠ A151)

Sites not aligning to the query:

8r5qC Structure of apo tdo with a bound inhibitor (see paper)
37% identity, 47% coverage: 5:124/254 of query aligns to 1:131/317 of 8r5qC

query
sites
8r5qC

M

L

T

I

Y
|
Y

G

G

R

N

Y
|
Y

L
|
L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K

Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-
x
E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L

L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y
x
F

S

N

A

D

F

F

R

R

S

E

V

Y

L

L

G

S

G
x
P

S

A

S

S

G
|
G

F

F

Q
|
Q

S
|
S

D

L

Q

Q

F

F

R

R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

L

V

R

L

G

K

G

G

binding 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline: Y3 (= Y7), Y6 (= Y10), L7 (= L11), F33 (= F32), H37 (= H36), F101 (≠ Y94), P110 (≠ G103), G113 (= G106), Q115 (= Q108), S116 (= S109)
binding alpha-methyl-L-tryptophan: R64 (vs. gap), E66 (vs. gap)

Sites not aligning to the query:

7lu7AAA Tryptophan 2,3-dioxygenase (see paper)
34% identity, 58% coverage: 5:152/254 of query aligns to 2:155/341 of 7lu7AAA

query
sites
7lu7AAA

M

L

T

I

Y
|
Y

G

G

R

N

Y
|
Y

L

L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K
x
Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-
x
E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L
|
L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y

F

S

N

A

D

F

F

R

R

S

E

V

Y

L

L

G

S

G

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
|
F

R
|
R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

-

V

L

L

R

Q

G

N

G

M

G

R

V

V

P

P

G

Y

P

H

L

Y

T

R

T

D

E

N

F

F

A

K

A

G

L

-

P

-

S

-

L

-

W

-

D

-

E

E

A

E

N

N

A

E

A

L

L

L

A

L

R

K

A

S

D

E

binding (1~{R})-1-cyclohexyl-2-[(5~{S})-5~{H}-imidazo[1,5-b]isoindol-5-yl]ethanol: Y4 (= Y7), Y7 (= Y10), F34 (= F32), H38 (= H36), A112 (≠ S104), G114 (= G106)
binding protoporphyrin ix containing fe: F34 (= F32), H38 (= H36), Y41 (≠ K39), L94 (= L86), S113 (= S105), G114 (= G106), F115 (= F107), F120 (= F112), R121 (= R113)
binding alpha-methyl-L-tryptophan: R65 (vs. gap), E67 (vs. gap)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 283, 287, 290, 291, 300
binding alpha-methyl-L-tryptophan: 167, 170, 171, 172, 263

8vzvAAA Tryptophan 2,3-dioxygenase (see paper)
34% identity, 58% coverage: 5:152/254 of query aligns to 2:155/344 of 8vzvAAA

query
sites
8vzvAAA

M

L

T

I

Y

Y

G

G

R

N

Y

Y

L

L

A

H

L

L

D

E

Q

K

L

V

L

L

S

N

A

A

Q

Q

H

E

P

L

I

Q

S

S

D

E

E

T

-

K

-

G

-

N

-

K

-

I

H

H

D

D

E

E

L

H

L

L

F
|
F

V

I

I

I

I

T

H
|
H

Q

Q

T

A

K
x
Y

E

E

L

L

W

W

L

F

K

K

Q

Q

A

I

I

L

A

W

E

E

L

L

R

D

V

S

A

V

L

R

D

E

L

I

V

F

R

Q

N

N

D

G

-

H

-

V

-
x
R

-

D

-
x
E

-

R

K

N

L

M

V

L

E

K

A

V

Y

V

K

S

S

R

L

M

A

H

R

R

V

V

S

S

R

V

I

I

Q

L

A

K

V

L

M

L

T

V

L

Q

S

Q

W

F

E

S

V

I

L
|
L

T

E

T

T

M

M

T

T

P

A

S

L

D

D

Y

F

S

N

A

D

F

F

R
|
R

S

E

V

Y

L
|
L

G

S

G

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

D

L

Q

Q

F
|
F

R
|
R

A

L

V

L

E

E

T

N

L

K

L

I

G

G

-

V

L

L

R

Q

G

N

G

M

G

R

V

V

P

P

G

Y

P

H

L

Y

T

R

T

D

E

N

F

F

A

K

A

G

L

-

P

-

S

-

L

-

W

-

D

-

E

E

A

E

N

N

A

E

A

L

L

L

A

L

R

K

A

S

D

E

binding 6-fluoro-3-[(E)-2-(1H-tetrazol-5-yl)ethenyl]-1H-indole: F34 (= F32), H38 (= H36), R106 (= R98), L109 (= L101), A112 (≠ S104), S113 (= S105)
binding protoporphyrin ix containing fe: F34 (= F32), H38 (= H36), Y41 (≠ K39), L94 (= L86), S113 (= S105), G114 (= G106), F115 (= F107), F120 (= F112), R121 (= R113)
binding alpha-methyl-L-tryptophan: R65 (vs. gap), E67 (vs. gap)

Sites not aligning to the query:

Query Sequence

>Ga0059261_1376 FitnessBrowser__Korea:Ga0059261_1376
MSDDMTYGRYLALDQLLSAQHPISDEHDELLFVIIHQTKELWLKQAIAELRVALDLVRND
KLVEAYKSLARVSRIQAVMTLSWEVLTTMTPSDYSAFRSVLGGSSGFQSDQFRAVETLLG
LRGGGVPGPLTTEFAALPSLWDEANAALARADFDLPETALNRDWSKPYQPSPEVEAAWVQ
VYRDPHRWWELYQLAEKLVDIDDALATWRHKHVLTVSRVIGMKPGTGGTPGVPYLQSTVA
KRAFPELWSLRTLL

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