SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_068173999.1 NCBI__GCF_001592305.1:WP_068173999.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

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)
72% identity, 93% coverage: 22:288/288 of query aligns to 33:299/299 of Q1LK00

query
sites
Q1LK00

A

A

Q

Q

L

M

D

D

F

F

S

A

N

R

D

D

M

M

S

S

Y

Y

G

G

D

D

Y

Y

L

L

Q

G

L

L

D

D

A

Q

I

I

L

L

G

S

A

A

Q

Q

K

H

P

P

L

L

S

S

P

P

A

D

H

H

D

N

E

E

L

M

L

L

F
|
F

I

I

V

V

Q

Q

H

H

Q

Q

T

T

S

T

E

E

L

L

W

W

M

M

K

K

L

L

M

M

L

L

H

H

E

E

L

L

T

R

A

A

I

R

R

D

N

G

I

V

A

K

A

S

D

D

E

Q

L

L

N

Q

P

P

A

A

F

F

K

K

Q

M

M

L

A

A

R

R

V

V

S

S

K

R

I

I

M

M

E

D

Q

Q

L

L

V

V

H

Q

A

A

W

W

D

N

V

V

L

L

A

A

T

T

M

M

T

T

P

P

E

E

Y
|
Y

S

S

A

A

I

M

R
|
R

P

P

Y

Y

L

L

G

G

H

A

S

S

G

G

F

F

Q

Q

S

S

F

Y

Q

Q

Y

Y

R

R

C

E

I

I

E

E

F

F

S

I

M

L

G

G

N

N

K

K

N

N

A

A

M

M

L

L

K

R

P

P

H

H

A

A

H

H

S

R

P

P

E

E

R

H

L

L

A

E

L

L

V

V

Q

E

M

T

A

A

Y

L

E

H

A

T

P

P

S

S

L

M

Y

Y

D

D

E

E

A

A

L

I

R

R

L

L

L

M

A

A

R

R

G

G

I

F

A

Q

V

I

P

D

A

P

S

E

H

V

T

V

E

E

R

R

D

D

W

W

T

T

R

Q

P

P

Y

T

E

Q

A

Y

S

N

D

A

A

S

V

V

K

E

Q

A

A

A

W

W

L

L

Q

E

V

V

Y

Y

R

R

N

N

P

P

K

S

E

A

H

H

W

W

D

E

L

L

Y

Y

Q

E

L

L

G

G

E

E

E

K

L

F

T

V

D

D

L

L

E

E

D

D

A

A

F

F

R

R

L

Q

W

W

R

R

F

F

R

R

H

H

V

V

T

T

V

V

E

E

R

R

V

V

I

I

G

G

F

F

K

K

R

R

G

G

T
|
T

G

G

T

T

G

E

G

G

V

V

S

S

Y

Y

L

L

R

R

K

R

M

M

L

L

D

D

V

V

L

L

F

F

P

P

E

E

I

L

W

W

T

K

L

L

R

R

T

T

E

D

L

L

F68 (= F57) mutation to A: Abolishes catalytic activity.
Y130 (= Y119) mutation to F: 15-fold increase in catalytic activity.
R134 (= R123) mutation to A: Abolishes catalytic activity.
T271 (= T260) mutation to A: Abolishes catalytic activity.

2noxB Crystal structure of tryptophan 2,3-dioxygenase from ralstonia metallidurans (see paper)
70% identity, 93% coverage: 22:288/288 of query aligns to 4:266/266 of 2noxB

query
sites
2noxB

A

A

Q

Q

L

M

D

D

F

F

S

A

N

R

D

D

M

M

S

S

Y

Y

G

G

D

D

Y

Y

L

L

Q

G

L

L

D

D

A

Q

I

I

L

L

G

S

A

A

Q

Q

K

H

P

P

L

L

S

S

P

P

A

D

H

H

D

N

E

E

L

M

L

L

F
|
F

I

I

V

V

Q

Q

H
|
H

Q

Q

T

T

S
x
T

E

E

L

L

W

W

M

M

K

K

L

L

M

M

L

L

H

H

E

E

L

L

T

R

A

A

I

R

R

D

N

G

I

V

A

K

A

S

D

D

E

Q

L

L

N

Q

P

P

A

A

F

F

K

K

Q

M

M

L

A

A

R

R

V

V

S

S

K

R

I

I

M

M

E

D

Q

Q

L

L

V

V

H

Q

A

A

W
|
W

D

N

V

V

L
|
L

A

A

T

T

M

M

T

T

P

P

E

E

Y

Y

S

S

A

A

I

M

R

R

P

P

Y

Y

L

L

G

G

H

A

S

S

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

Y

Q

Q

Y
|
Y

R
|
R

C

E

I

I

E

E

F

F

S

I

M

L

G

G

N

N

K

K

N

N

A

A

M

M

L

L

K

R

P

P

H

H

A

A

H

H

S

R

P

P

E

E

R

H

L

L

A

E

L

L

V

V

Q

E

M

T

A

A

Y

L

E

H

A

T

P

P

S

S

L

M

Y

Y

D

D

E

E

A

A

L

I

R

R

L

L

L

M

A

A

R

R

G

G

I

F

A

Q

V

I

P

D

A

P

S

E

H

V

T

V

E

E

R

R

D

D

W

W

T

T

R

Q

P

P

Y

T

E

Q

A

Y

S

N

D

A

A

S

V

V

K

E

Q

A

A

A

W

W

L

L

Q

E

V

V

Y

Y

R

R

N

N

P

P

K

S

E

A

H

H

W

W

D

E

L

L

Y

Y

Q

E

L

L

G

G

E

E

E

K

L

F

T

V

D

D

L

L

E

E

D

D

A

A

F

F

R

R

L

Q

W

W

R

R

F

F

R

R

H
|
H

V

V

T

T

V
|
V

E

E

R

R

V

V

I

I

G

G

F

F

K

K

R

R

G

G

T
x
E

G

-

T

-

G

-

G

G

V

V

S

S

Y
|
Y

L
|
L

R

R

K

R

M

M

L

L

D

D

V

V

L

L

F

F

P

P

E

E

I

L

W

W

T

K

L

L

R

R

T

T

E

D

L

L

binding protoporphyrin ix containing fe: F39 (= F57), H43 (= H61), T46 (≠ S64), W90 (= W108), L93 (= L111), S112 (= S130), G113 (= G131), F114 (= F132), Y119 (= Y137), R120 (= R138), H228 (= H246), V232 (= V250), E242 (≠ T260), Y246 (= Y268), L247 (= L269)

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)
51% identity, 92% coverage: 25:288/288 of query aligns to 17:282/298 of Q8PDA8

query
sites
Q8PDA8

D

D

F

L

S

E

N

G

D

R

M

L

S

T

Y

Y

G

G

D

G

Y

Y

L

L

Q

R

L

L

D

D

A

Q

I

L

L

L

G

S

A

A

Q

Q

K

Q

P

P

L

L

S

S

-

E

P

P

A

A

H

H

-

H

D

D

E

E

L

M

L

L

F
|
F

I
|
I

V
x
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

T

R

A

A

I

I

R

V

N

H

I

L

A

Q

A

R

D

D

E

E

L

V

N

W

P

Q

A

C

F

R

K

K

Q

V

M

L

A

A

R

R

V

S

S

K

K

Q

I

V

M

L

E

R

Q

Q

L

L

V

T

H

E

A

Q

W

W

D

S

V

V

L

L

A

E

T

T

M

L

T

T

P

P

P

S

E

E

Y
|
Y

S

M

A

G

I

F

R
|
R

P

D

Y

V

L

L

G

G

H

P

S

S

G

G

F

F

Q

Q

S

S

F

L

Q

Q

Y

Y

R

R

C

Y

I

I

E

E

F

F

S

L

M

L

G

G

N

N

K

K

N

N

A

P

A

Q

M

M

L

L

K

Q

P

V

H

F

A

A

H

Y

S

D

P

P

E

A

R

G

L

Q

A

A

L

R

V

L

Q

R

M

E

A

V

Y

L

E

E

A

A

P

P

S

S

L

L

Y

Y

D

E

E

E

A

F

L

L

R

R

L

Y

L

L

A

A

R

R

R

F

G

G

I

H

A

A

V

I

P

P

A

Q

S

Q

H

Y

T

Q

E

A

R

R

D

D

W

W

T

T

R

A

P

A

Y

H

E

V

A

A

S

D

D

D

A

T

V

L

K

R

Q

P

A

V

W

F

L

E

Q

R

V

I

Y

Y

R

E

N

N

P

T

K

D

E

R

H

Y

W

W

D

R

L

E

Y

Y

Q

S

L

L

G

C

E

E

E

D

L

L

T

V

D

D

L

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

T

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

T

D

L

V

R

R

T

T

E

S

L

V

FIIQH 51:55 (≠ FIVQH 57:61) binding substrate
H55 (= H61) 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 (= Y119) binding substrate
R117 (= R123) binding substrate
H240 (= H246) binding axial binding residue
T254 (= T260) binding substrate

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)
51% identity, 90% coverage: 30:288/288 of query aligns to 3:263/265 of 2nw9A

query
sites
2nw9A

M

L

S

T

Y

Y

G

G

D

G

Y

Y

L

L

Q

R

L

L

D

D

A

Q

I

L

L

L

G

S

A

A

Q

Q

K

Q

P

P

L

L

S

S

-

E

P

P

A

A

H

H

-

H

D

D

E

E

L

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

T

R

A

A

I

I

R

V

N

H

I

L

A

Q

A

R

D

D

E

E

L

V

N

W

P

Q

A

C

F

R

K

K

Q

V

M

L

A

A

R

R

V

S

S

K

K

Q

I

V

M

L

E

R

Q

Q

L

L

V

T

H

E

A

Q

W
|
W

D

S

V

V

L
|
L

A

E

T

T

M

L

T

T

P

P

P

S

E

E

Y
|
Y

S

M

A

G

I

F

R
|
R

P

D

Y

V

L
|
L

G

G

H

P

S
|
S

S

S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
|
Y

R
|
R

C

Y

I

I

E

E

F

F

S

L

M

L

G

G

N

N

K

K

N

N

A

P

A

Q

M

M

L

L

K

Q

P

V

H

F

A

A

H

Y

S

D

P

P

E

A

R

G

L

Q

A

A

L

R

V

L

Q

R

M

E

A

V

Y

L

E

E

A

A

P

P

S

S

L

L

Y

Y

D

E

E

E

A

F

L

L

R

R

L

Y

L

L

A

A

R

R

R

F

G

G

I

H

A

A

V

I

P

P

A

Q

S

Q

H

Y

T

Q

E

A

R

R

D

D

W

W

T

T

R

A

P

A

Y

H

E

V

A

A

S

D

D

D

A

T

V

L

K

R

Q

P

A

V

W

F

L

E

Q

R

V

I

Y

Y

R

E

N

N

P

T

K

D

E

R

H

Y

W

W

D

R

L

E

Y

Y

Q

S

L

L

G

C

E

E

E

D

L

L

T

V

D

D

L

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

T

D

L

V

R

R

T

T

E

S

L

V

binding 6-fluoro-l-tryptophan: F32 (= F57), H36 (= H61), Y94 (= Y119), R98 (= R123), L101 (= L126), S104 (= S129), G234 (= G259), T235 (= T260)
binding protoporphyrin ix containing fe: F32 (= F57), H36 (= H61), S39 (= S64), W83 (= W108), L86 (= L111), G106 (= G131), F107 (= F132), Y112 (= Y137), R113 (= R138), H221 (= H246), V225 (= V250), I229 (= I254), G234 (= G259), G236 (= G261), S238 (≠ T263)

7p46A Crystal structure of xanthomonas campestris tryptophan 2,3-dioxygenase (tdo) (see paper)
50% identity, 92% coverage: 25:288/288 of query aligns to 13:278/281 of 7p46A

query
sites
7p46A

D

D

F

L

S

E

N

G

D

R

M

L

S

T

Y

Y

G

G

D

G

Y

Y

L

L

Q

R

L

L

D

D

A

Q

I

L

L

L

G

S

A

A

Q

Q

K

Q

P

P

L

L

S

S

-

E

P

P

A

A

H

H

-

H

D

D

E

E

L

M

L

L

F
|
F

I

I

V

I

Q

Q

H
x
S

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

T

R

A

A

I

I

R

V

N

H

I

L

A

Q

A

R

D

D

E

E

L

V

N

W

P

Q

A

C

F

R

K
|
K

Q

V

M

L

A
|
A

R

R

V

S

S

K

K

Q

I

V

M

L

E

R

Q

Q

L

L

V

T

H

E

A

Q

W
|
W

D

S

V

V

L

L

A

E

T

T

M

L

T

T

P

P

P

S

E

E

Y
|
Y

S

M

A

G

I

F

R
|
R

P

D

Y

V

L

L

G

G

H

P

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
|
Y

R
|
R

C

Y

I

I

E

E

F

F

S

L

M

L

G

G

N

N

K

K

N

N

A

P

A

Q

M

M

L

L

K

Q

P

V

H

F

A

A

H

Y

S

D

P

P

E

A

R

G

L

Q

A

A

L

R

V

L

Q

R

M

E

A

V

Y

L

E

E

A

A

P

P

S

S

L

L

Y

Y

D

E

E

E

A

F

L

L

R

R

L

Y

L

L

A

A

R

R

R

F

G

G

I

H

A

A

V

I

P

P

A

Q

S

Q

H

Y

T

Q

E

A

R

R

D

D

W

W

T

T

R

A

P

A

Y

H

E

V

A

A

S

D

D

D

A

T

V

L

K

R

Q

P

A

V

W

F

L

E

Q

R

V

I

Y

Y

R

E

N

N

P

T

K

D

E

R

H

Y

W

W

D

R

L

E

Y
|
Y

Q
x
S

L

L

G

C

E
|
E

E

D

L

L

T

V

D
|
D

L

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

T

D

L

V

R

R

T

T

E

S

L

V

binding protoporphyrin ix containing fe: S51 (≠ H61), S54 (= S64), W98 (= W108), S120 (= S130), G121 (= G131), F122 (= F132), Y127 (= Y137), R128 (= R138), H236 (= H246), V240 (= V250), G249 (= G259), G251 (= G261), S253 (≠ T263)
binding (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid: F47 (= F57), S51 (≠ H61), Y109 (= Y119), R113 (= R123), S119 (= S129), G249 (= G259), T250 (= T260)
binding tryptophan: K82 (= K92), A85 (= A95), Y216 (= Y226), S217 (≠ Q227), E220 (= E230), D224 (= D234)

1yw0A Crystal structure of the tryptophan 2,3-dioxygenase from xanthomonas campestris. Northeast structural genomics target xcr13.
47% identity, 90% coverage: 31:288/288 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

G

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

L

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

T

R

A

A

I

I

R

V

N

H

I

L

A

Q

A

R

D

D

E

E

L

V

N

W

P

Q

A

C

F

R

K

K

Q

V

M

L

A

A

R

R

V

S

S

K

K

Q

I

V

M

L

E

R

Q

Q

L

L

V

T

H

E

A

Q

W

W

D

S

V

V

L

L

A

E

T

T

M

L

T

T

P

P

P

S

E

E

Y

Y

S

M

A

G

I

F

R

R

P

D

Y

V

L

L

G

G

H

-

S

-

G

-

F

F

Q

Q

S

S

F

L

Q

Q

Y

Y

R

R

C

Y

I

I

E

E

F

F

S

L

M

L

G

G

N

N

K

K

N

N

A

P

A

Q

M

M

L

L

K

Q

P

V

H

F

A

A

H

Y

S

D

P

P

E

A

R

G

L

Q

A

A

L

R

V

L

Q

R

M

E

A

V

Y

L

E

E

A

A

P

P

S

S

L

L

Y

Y

D

E

E

E

A

F

L

L

R

R

L

Y

L

L

A

A

R

R

R

F

G

G

I

H

A

A

V

I

P

P

A

Q

S

Q

H

Y

T

Q

E

A

R

R

D

D

W

W

T

T

R

A

P

A

Y

H

E

V

A

A

S

D

D

D

A

T

V

L

K

R

Q

P

A

V

W

F

L

E

Q

R

V

I

Y

Y

R

E

N

N

P

T

K

D

E

R

H

Y

W

W

D

R

L

E

Y

Y

Q

S

L

L

G

C

E

E

E

D

L

L

T

V

D

D

L

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

T

D

L

V

R

R

T

T

E

S

L

V

binding magnesium ion: A14 (= A44), Q15 (= Q45), Q16 (≠ K46)

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)
29% identity, 100% coverage: 1:288/288 of query aligns to 1:357/379 of P20351

query
sites
P20351

M

M

A

S

C

C

P

P

H

Y

-

A

-

G

-

N

-

G

-

N

-

D

H

H

D

D

T

D

P

S

A

A

S

V

P

P

T

L

E

T

A

T

I

E

V

V

A

G

E

K

E

-

K

-

A

-

Q

-

L

-

D

-

F

-

S

-

N

-

D

-

M

-

S

I

Y

Y

G

G

D

E

Y

Y

L

L

Q

M

L

L

D

D

A

K

I

L

L

L

G

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

L

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

L

F

T

D

A

S

A

I

I

R

R

D

N

M

I

L

A

D

A

A

D

E

E

V

L

I

N

D

P

E

A

T

-

K

-

T

-

L

-

E

-

I

F

V

K

K

Q

R

M

L

A

N

R

R

V

V

S

V

K

L

I

I

M

L

E

K

Q

L

L

L

V

V

H

D

A

Q

W

V

D

P

V

I

L

L

A

E

T

T

M

M

T

T

P

P

P

L

E
x
D

Y

F

S

M

A

D

I

F

R

R

P

K

Y

Y

L

L

G

A

H

P

S

A

S

S

G

G

F

F

Q

Q

S

S

F

L

Q

Q

Y

F

R

R

C

L

I

I

E

E

F

N

S

K

M

L

G

G

-

V

-

L

-

T

-

E

-

Q

-

R

-

V

-

R

-

Y

-

N

-

Q

-

K

-

Y

-

S

-

D

-

V

-

F

-

S

-

D

-

E

-

A

-

R

-

N

-

S

-

I

-

R

-

N

-

S

N

E

K

K

N

D

A

P

A

S

M

L

L

L

K

E

-

L

-

V

-

Q

-

R

-

W

-

L

-

E

-

R

-

T

-

P

-

G

-

L

-

E

-

S

-

G

-

F

-

N

-

F

-

W

-

A

P

K

H

F

A

Q

H

E

S

S

P

V

E

D

R

R

L

F

-

L

-

E

A

A

L

Q

V

V

Q

Q

M

S

A

A

Y

M

E

E

A

E

P

P

-

V

-

E

-

K

-

A

-

K

-

N

-
x
Y

S

R

L

L

Y

M

D

D

E

I

A

E

L

K

R

R

L

R

L

E

A

V

R

Y

R

R

G

S

I

I

A

F

V

D

P

P

A

A

S

V

H

H

T

D

E

A

-

L

-

V

R

R

D

R

W

G

T

D

R

R

P

R

Y

F

E

S

A

H

S

R

D

A

A

L

V

Q

K

G

Q

A

A

I

W

M

L

I

Q

T

V

F

Y

Y

R

R

N

D

P

E

K

P

E

R

H

F

W

S

D

Q

L

P

Y

H

Q

Q

L

L

G

L

E

T

E

L

L

L

T

M

D

D

L

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

D

S

-

D

-

R

V

Y

V

K

L

V

F

F

P

L

E

D

I

L

W

F

T

N

L

L

R

S

T

T

E

F

L

L

D123 (≠ E118) mutation to A: Strongly reduced enzyme activity.
Y236 (vs. gap) mutation to F: Strongly reduced enzyme activity.
R309 (= R243) mutation to A: Strongly reduced enzyme activity.
H312 (= H246) binding axial binding residue
Y335 (= Y268) 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, 89% coverage: 32:288/288 of query aligns to 4:334/345 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

G

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

L

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

L

F

T

D

A

S

A

I

I

R

R

D

N

M

I

L

A

D

A

A

D

E

E

V

L

I

N

D

P

E

A

T

-

K

-

T

-

L

-

E

-

I

F

V

K

K

Q

R

M

L

A

N

R

R

V

V

S

V

K

L

I

I

M

L

E

K

Q

L

L

L

V

V

H

D

A

Q

W

V

D

P

V

I

L
|
L

A

E

T

T

M

M

T

T

P

P

P

L

E

D

Y
x
F

S

M

A

D

I

F

R

R

P

K

Y

Y

L

L

G

A

H

P

S

A

S

S

G

G

F
|
F

Q
|
Q

S

S

F

L

Q

Q

Y
x
F

R

R

C

L

I

I

E

E

F

N

S

K

M

L

G

G

-

V

-

L

-

T

-

E

-

Q

-

R

-

V

-

R

-
x
Y

-

N

-

Q

-

K

-

Y

-

S

-

D

-

V

-

F

-

S

-

D

-

E

-

A

-

R

-

N

-

S

-

I

-

R

-

N

-

S

N

E

K

K

N

D

A

P

A

S

M

L

L

L

K

E

-

L

-

V

-

Q

-

R

-

W

-

L

-

E

-

R

-

T

-

P

-

G

-

L

-

E

-

S

-

G

-

F

-

N

-

F

-

W

-

A

P

K

H

F

A

Q

H

E

S

S

P

V

E

D

R

R

L

F

-

L

-

E

A

A

L

Q

V

V

Q

Q

M

S

A

A

Y

M

E

E

A

E

P

P

-

V

-

E

-

K

-

A

-

K

-

N

-

Y

S

R

L

L

Y

M

D

D

E

I

A

E

L

K

R

R

L

R

L

E

A

V

R

Y

R

R

G

S

I

I

A

F

V

D

P

P

A

A

S

V

H

H

T

D

E

A

-

L

-

V

R

R

D

R

W

G

T

D

R

R

P

R

Y

F

E

S

A

H

S

R

D

A

A

L

V

Q

K

G

Q

A

A

I

W

M

L

I

Q

T

V

F

Y

Y

R

R

N

D

P

E

K

P

E

R

H

F

W

S

D

Q

L

P

Y

H

Q

Q

L

L

G

L

E

T

E

L

L

L

T

M

D

D

L

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

D

S

-

D

-

R

V

Y

V

K

L

V

F

F

P

L

E

D

I

L

W

F

T

N

L

L

R

S

T

T

E

F

L

L

binding protoporphyrin ix containing fe: H38 (= H61), Y41 (≠ S64), F45 (≠ M68), L93 (= L111), F101 (≠ Y119), F114 (= F132), Q115 (= Q133), F119 (≠ Y137), Y136 (vs. gap), W285 (= W242), H289 (= H246), V293 (= V250), Y312 (= Y268), L313 (= L269)

5ti9C Crystal structure of human tdo in complex with trp and dioxygen, northeast structural genomics consortium target hr6161 (see paper)
29% identity, 90% coverage: 30:288/288 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

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E
|
E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

D

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y

F

S

N

A

D

I

F

R
|
R

P

E

Y

Y

L
|
L

G

S

H

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
|
R

C

L

I

L

E

E

F

N

S

K

M

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

-

A

E

H

Q

S

E

P

K

E

T

R

L

L

L

A

E

L

L

V

V

Q

E

M

A

A
x
W

Y

L

E

E

-
x
R

-
x
T

-
x
P

-

G

-

L

-

E

-

P

-

H

-

G

-

F

-

N

-

F

-

W

-

G

-

K

-

L

-

E

-

K

-

N

-

I

A

T

P

R

S

G

L

L

Y

E

D

E

E

E

A

F

L

I

R

R

L

F

L

Q

A

K

R

Q

R

K

G

E

I

V

A

L

V

L

P

S

A

L

S

F

H

D

T

E

E

K

R

R

D

H

W

E

T

H

R

L

P

L

Y

S

E

K

A

G

S

E

D

R

A

R

V

L

K

S

Q

Y

A

R

W

A

L

L

Q

Q

-

G

-

A

-

L

-

M

-
x
I

-

Y

V

F

Y

Y

R

R

N

E

P

E

K

P

E

R

H
x
F

W

Q

D

V

L
x
P

Y

F

Q

Q

L

L

G

L

E

T

E

S

L

L

T

M

D

D

L

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

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

T

N

L

L

R

S

T

T

E

Y

L

L

binding protoporphyrin ix containing fe: H37 (= H61), Y40 (≠ S64), L93 (= L111), S112 (= S130), G113 (= G131), F114 (= F132), F119 (≠ Y137), R120 (= R138), W259 (= W242), H263 (= H246), V267 (= V250), M270 (≠ V253), G276 (= G259), G278 (= G261), S280 (≠ T263), L286 (= L269)
binding N'-Formylkynurenine: F33 (= F57), H37 (= H61), R105 (= R123), L108 (= L126), A111 (≠ S129), S112 (= S130), G113 (= G131), L271 (≠ I254), G276 (= G259), T277 (= T260)
binding tryptophan: R64 (≠ A84), E66 (= E86), W159 (≠ A168), R162 (vs. gap), T163 (vs. gap), P164 (vs. gap), I230 (vs. gap), F239 (≠ H222), P242 (≠ L225)

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)
27% identity, 99% coverage: 1:286/288 of query aligns to 1:369/403 of Q09474

query
sites
Q09474

M

M

A

A

C

C

P

P

H

Y

H

L

D

G

T

S

P

G

A

E

S

L

P

T

T

H

E

R

A

V

I

T

V

F

A

M

E

E

-

G

-

E

-

C

-

Q

-

G

-

V

E

N

K

K

A

V

Q

E

L

M

D

G

F

F

S

G

N

Q

D

-

M

-

S

T

Y

Y

G

S

D

E

Y

Y

L

L

Q

Q

L

L

D

D

A

K

I

I

L

L

G

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

L

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

T

D

A

N

A

V

-

R

-

K

-

L

I

L

R

N

N

N

I

T

A

I

A

V

D

D

E

E

L

T

N

K

-

T

-

L

P

K

A

I

F

V

K

S

Q

G

M

L

A

D

R

R

V

M

S

T

K

K

I

I

M

L

E

S

Q

L

L

L

V

T

H

E

A

Q

W

I

D

T

V

L

L

L

A

D

T

T

M

M

T

S

P
|
P

P
x
L

E
x
D

Y

F

S

V

A

D

I

F

R

R

P

K

Y

Y

L

L

G

T

H

P

S

A

S

S

G

G

F

F

Q

Q

S

S

F

L

Q

Q

Y

F

R

R

C

V

I

L

E

E

F

N

S

K

M

L

G

G

N

V

K

R

N

Q

A

E

A

R

M

R

L

I

K

K

P

Y

H

N

A

A

H

Q

-

H

-

Y

-

K

-

N

-

V

-

F

S

N

P

D

E

T

R

D

L

L

A

K

L

T

V

L

Q

N

M

V

A

T

Y

E

E

E

A

E

P

K

S

S

L

L

Y

L

D

T

E

L

A

I

L

E

R

S

L

W

L

L

A

E

R

R

R

T

G

P

I

G

A

L

V

K

P

S

A

T

S

S

H

E

T

D

E

E

R

G

D

F

W

W

T

I

R

K

P

-

Y

Y

E

E

A

K

S

S

-

V

-

N

-

K

-

Y

-

L

-

A

D

D

A

L

V

A

K

K

Q

Q

A

A

-

A

-

D

-

P

-

S

-

N

-

T

-

E

-

I

-

A

-

K

-

Q

-

L

-

T

-

A

-

E

-

Y

-

H

-

K

-

T

-

A

-

D

W

A

L

F

Q

Q

V

S

Y

I

R

L

N

D

P

P

K

R

E

Q

H

H

W

E

D

Q

L

H

Y

I

Q

R

L

N

G

G

E

N

E

R

L

L

-

L

-

S

-

H

-

D

-

A

-

T

-

K

-

G

-

A

-

M

-

I

-

Y

-

F

-

Y

-

R

-

D

-

M

-

P

-

R

-

F

-

S

-

Q

-

P

-

Y

-

Q

-

I

-

L

-

T

-

F

-

L

T

M

D

D

L

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

T

N

L

L

R

S

T

T

PLD 133:135 (≠ PPE 116:118) 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.

6pyzC Crystal structure of human tryptophan 2,3-dioxygenase in complex with pf-06840003 in active site (see paper)
29% identity, 89% coverage: 32:288/288 of query aligns to 4:314/333 of 6pyzC

query
sites
6pyzC

Y
|
Y

G

G

D

N

Y
|
Y

L

L

Q

H

L

L

D

E

A

K

I

V

L

L

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E
|
E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

D

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y

F

S

N

A

D

I

F

R

R

P

E

Y

Y

L

L

G

S

H

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
|
R

C

L

I

L

E

E

F

N

S

K

M

I

G

G

N

V

K

L

N

Q

A

N

A

M

M

R

L

V

K

P

P

Y

H

H

-

Y

-

R

-

D

A

N

H

F

S

K

P

G

E

E

R

E

L

N

A

E

L

L

V

L

Q

L

M

K

A

S

Y

E

E

Q

A

E

P

K

S

T

L

L

Y

L

D

E

E

L

A

V

L

E

R

A

L
x
W

L

L

A

E

R
|
R

R
x
T

G
x
P

I

G

A

L

V

E

P

P

A

H

S

G

H

F

T

N

-

F

-

W

-

G

-

K

-

L

E

E

R

K

D

N

W

I

T

T

R

R

P

G

Y

L

E

E

A

E

S

E

-

A

-

E

-

F

D

Q

A

K

V

Q

K

K

Q

E

A

V

W

L

L

L

Q

S

V

L

Y

F

R

-

N

D

P

E

K

K

E

R

H

H

W

E

D

H

L

L

Y

L

Q

S

L

K

G

G

E

E

E

R

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-

I

-

Y

-

F

-

Y

-

R

-

E

-

P

-

R

-
x
F

-

Q

-

V

-

P

-

F

-

Q

-

L

-

T

-

S

L

L

T

M

D

D

L

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

T

N

L

L

R

S

T

T

E

Y

L

L

binding (3S)-3-(5-fluoro-1H-indol-3-yl)pyrrolidine-2,5-dione: Y4 (= Y32), Y7 (= Y35), F34 (= F57), H38 (= H61), A112 (≠ S129), S113 (= S130), T284 (= T260)
binding protoporphyrin ix containing fe: H38 (= H61), Y41 (≠ S64), L94 (= L111), G114 (= G131), F115 (= F132), F120 (≠ Y137), R121 (= R138), H270 (= H246), M273 (≠ T249), V274 (= V250), M277 (≠ V253), G283 (= G259), G285 (= G261), S287 (≠ T263), Y292 (= Y268), L293 (= L269)
binding alpha-methyl-L-tryptophan: R65 (≠ A84), E67 (= E86), W167 (≠ L181), R170 (= R184), T171 (≠ R185), P172 (≠ G186), F246 (vs. gap)

6a4iD Crystal structure of human tdo inhibitor complex
32% identity, 79% coverage: 30:257/288 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

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E

E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

D

S

V

I

L

L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

S

N

A

D

I

F

R

R

P

E

Y

Y

L

L

G

S

H

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R

R

C

L

I

L

E

E

F

N

S

K

M

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

-

A

E

H

Q

S

E

P

K

E

T

R

L

L

L

A

E

L

L

V

V

Q

E

M

A

A
x
W

Y

L

E

E

A
x
R

P
x
T

-
x
P

-

G

-

L

-

E

-

P

-

H

-

G

-

F

-

N

-

F

-

W

-

G

S

K

L

L

Y

E

D

E

E

V

A

L

L

L

R

S

L

L

L

F

A

D

R

E

R

K

G

R

I

H

A

E

V

H

P

L

A

L

S

S

H

K

T

G

E

E

R

R

D

R

W

L

T

S

R

-

P

-

Y

Y

E

R

A

A

S

L

D

Q

A

G

V

A

K

L

Q

M

A
x
I

W

Y

L

F

Q

-

V

-

Y

Y

R

R

N

E

P

E

K

P

E

R

H
x
F

W

Q

D

V

L

P

Y

F

Q

Q

L

L

G

L

E

T

E

S

L

L

T

M

D

D

L

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 (= Y32), Y6 (= Y35), F33 (= F57), H37 (= H61), A111 (≠ S129)
binding protoporphyrin ix containing fe: F33 (= F57), H37 (= H61), Y40 (≠ S64), F101 (≠ Y119), S112 (= S130), G113 (= G131), F114 (= F132), F119 (≠ Y137), H239 (= H246), V243 (= V250), M246 (≠ V253)
binding tryptophan: R64 (≠ A84), W153 (≠ A168), R156 (≠ A171), T157 (≠ P172), P158 (vs. gap), I206 (≠ A211), F215 (≠ H222)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 254

6a4iB Crystal structure of human tdo inhibitor complex
29% identity, 90% coverage: 30:288/288 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

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E
|
E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

D

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y

F

S

N

A

D

I

F

R

R

P

E

Y

Y

L
|
L

G

S

H

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
|
R

C

L

I

L

E

E

F

N

S

K

M

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

-

A

E

H

Q

S

E

P

K

E

T

R

L

L

L

A

E

L

L

V

V

Q

E

M

A

A
x
W

Y

L

E

E

-
x
R

A
x
T

P
|
P

S

G

L

L

Y

E

D

P

E

H

A

G

L

F

R

N

L

F

L

W

A

G

R

K

R

-

G

-

I

-

A

-

V

-

P

-

A

-

S

-

H

-

T

L

E

E

R

K

D

N

W

I

T

T

R

R

P

G

Y

L

E

E

A

E

S

E

D

F

A

Q

V

V

-

A

-

E

-

F

-

Q

-

K

-

Q

K

K

Q

E

A

V

W

L

L

L

Q

S

V

L

Y

F

R

-

N

D

P

E

K

K

E

R

H

H

W

E

D

H

L

L

-

L

-

S

-

K

-

G

-

E

-

R

-

L

-

S

-

Y

-

R

-

A

-

L

-

Q

-

G

-

A

-

L

-

M

-

I

-

Y

-

F

-

Y

-

R

-

E

-

P

-

R

-

F

-

Q

-

V

-
x
P

Y

F

Q

Q

L

L

G

L

E

T

E

S

L

L

T

M

D

D

L

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

T

N

L

L

R

S

T

T

E

Y

L

L

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y32), Y6 (= Y35), F33 (= F57), H37 (= H61), L108 (= L126), A111 (≠ S129)
binding protoporphyrin ix containing fe: F33 (= F57), H37 (= H61), Y40 (≠ S64), L93 (= L111), S112 (= S130), G113 (= G131), F114 (= F132), F119 (≠ Y137), R120 (= R138), W255 (= W242), H259 (= H246), V263 (= V250), L274 (= L269)
binding tryptophan: R64 (≠ A84), E66 (= E86), W153 (≠ A168), R156 (vs. gap), T157 (≠ A171), P158 (= P172), P238 (vs. gap)

9ezjB Tryptophan 2,3-dioxygenase (see paper)
40% identity, 43% coverage: 30:153/288 of query aligns to 1:137/319 of 9ezjB

query
sites
9ezjB

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

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E
|
E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W
x
F

D

S

V

I

L

L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

S

N

A

D

I

F

R

R

P

E

Y

Y

L

L

G

S

H

P

S
x
A

S

S

G

G

F
|
F

Q
|
Q

S
|
S

F

L

Q

Q

Y

F

R

R

C

L

I

L

E

E

F

N

S

K

M

I

G

G

-

V

-

L

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

binding ethyl (9~{R})-2-methoxy-4-oxidanylidene-9-[[(1~{S})-1-phenylethyl]-[(2-propan-2-ylphenyl)carbamoyl]amino]-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidine-3-carboxylate: F33 (= F57), H37 (= H61), F90 (≠ W108), F101 (≠ Y119), A111 (≠ S129), F114 (= F132), Q115 (= Q133), S116 (= S134)
binding alpha-methyl-L-tryptophan: R64 (≠ A84), E66 (= E86)

Sites not aligning to the query:

5ti9D Crystal structure of human tdo in complex with trp and dioxygen, northeast structural genomics consortium target hr6161 (see paper)
41% identity, 40% coverage: 30:145/288 of query aligns to 2:128/332 of 5ti9D

query
sites
5ti9D

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

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E
|
E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

D

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y

F

S

N

A

D

I

F

R
|
R

P

E

Y

Y

L
|
L

G

S

H

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
|
R

C

L

I

L

E

E

F

N

S

K

M

I

G

G

binding protoporphyrin ix containing fe: F34 (= F57), H38 (= H61), Y41 (≠ S64), L94 (= L111), S113 (= S130), G114 (= G131), F115 (= F132), F120 (≠ Y137), R121 (= R138)
binding N'-Formylkynurenine: F34 (= F57), H38 (= H61), R106 (= R123), L109 (= L126), A112 (≠ S129), S113 (= S130), G114 (= G131)
binding tryptophan: R65 (≠ A84), E67 (= E86)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 137, 286, 289, 290, 300, 301
binding tryptophan: 170, 173, 174, 175, 253, 262, 265

6a4iA Crystal structure of human tdo inhibitor complex
41% identity, 40% coverage: 32:145/288 of query aligns to 3:127/322 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

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E

E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

D

S

V

I

L
|
L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

S

N

A

D

I

F

R

R

P

E

Y

Y

L

L

G

S

H

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R

R

C

L

I

L

E

E

F

N

S

K

M

I

G

G

binding 1-(6-chloro-1H-indazol-4-yl)cyclohexan-1-ol: Y3 (= Y32), Y6 (= Y35), F33 (= F57), H37 (= H61), A111 (≠ S129)
binding protoporphyrin ix containing fe: F33 (= F57), H37 (= H61), Y40 (≠ S64), L93 (= L111), F101 (≠ Y119), S112 (= S130), G113 (= G131), F114 (= F132), F119 (≠ Y137)
binding tryptophan: R64 (≠ A84)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 270, 274, 277, 278, 281, 292
binding tryptophan: 158, 161, 162, 163, 241, 250, 253

8r5qC Structure of apo tdo with a bound inhibitor (see paper)
39% identity, 43% coverage: 30:153/288 of query aligns to 1:139/317 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

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E
|
E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

D

S

V

I

L

L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

S

N

A

D

I

F

R

R

P

E

Y

Y

L

L

G

S

H
x
P

S

A

S

S

G
|
G

F

F

Q
|
Q

S
|
S

F

L

Q

Q

Y

F

R

R

C

L

I

L

E

E

F

N

S

K

M

I

-

G

-

V

-

L

-

K

G

G

N

E

K

E

N

N

A

E

A

L

M

L

L

L

K

K

binding 3-chloranyl-~{N}-[(1~{S})-1-(6-chloranylpyridin-3-yl)-2-phenyl-ethyl]aniline: Y3 (= Y32), Y6 (= Y35), L7 (= L36), F33 (= F57), H37 (= H61), F101 (≠ Y119), P110 (≠ H128), G113 (= G131), Q115 (= Q133), S116 (= S134)
binding alpha-methyl-L-tryptophan: R64 (≠ A84), E66 (= E86)

Sites not aligning to the query:

9b1qA Tryptophan 2,3-dioxygenase (see paper)
41% identity, 40% coverage: 30:145/288 of query aligns to 1:127/345 of 9b1qA

query
sites
9b1qA

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

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E

E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

D

S

V

I

L

L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y

F

S

N

A

D

I

F

R

R

P

E

Y

Y

L

L

G

S

H

P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
|
R

C

L

I

L

E

E

F

N

S

K

M

I

G

G

binding (5P)-1-[(imidazolidin-1-yl)methyl]-5-(1H-indol-3-yl)-1H-1,2,3-benzotriazole: Y3 (= Y32), Y6 (= Y35), F33 (= F57), H37 (= H61), A111 (≠ S129), S112 (= S130), G113 (= G131)
binding protoporphyrin ix containing fe: F33 (= F57), H37 (= H61), Y40 (≠ S64), S112 (= S130), G113 (= G131), F114 (= F132), F119 (≠ Y137), R120 (= R138)
binding alpha-methyl-L-tryptophan: R64 (≠ A84)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 136, 285, 289, 292, 293, 297, 304
binding alpha-methyl-L-tryptophan: 169, 172, 173, 174, 265, 268

8w2kA Tryptophan 2,3-dioxygenase (see paper)
41% identity, 40% coverage: 30:145/288 of query aligns to 1:127/345 of 8w2kA

query
sites
8w2kA

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

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E

E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

D

S

V

I

L

L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y

F

S

N

A

D

I

F

R
|
R

P

E

Y

Y

L

L

G
x
S

H
x
P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
|
R

C

L

I

L

E

E

F

N

S

K

M

I

G

G

binding (6M)-6-(6-fluoro-1H-indol-3-yl)-1-[2-(piperazin-1-yl)ethyl]-1H-benzotriazole: Y3 (= Y32), Y6 (= Y35), F33 (= F57), H37 (= H61), R105 (= R123), S109 (≠ G127), P110 (≠ H128), A111 (≠ S129)
binding protoporphyrin ix containing fe: F33 (= F57), H37 (= H61), Y40 (≠ S64), S112 (= S130), G113 (= G131), F114 (= F132), F119 (≠ Y137), R120 (= R138)
binding alpha-methyl-L-tryptophan: R64 (≠ A84)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 136, 289, 293, 304, 305
binding alpha-methyl-L-tryptophan: 169, 172, 174, 265, 268

8w1hA Tryptophan 2,3-dioxygenase (see paper)
41% identity, 40% coverage: 30:145/288 of query aligns to 1:127/346 of 8w1hA

query
sites
8w1hA

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

G

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

L

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

T

D

A

S

A

-

I

V

R

R

N

E

I

I

-

F

-

Q

-

N

-

G

-

H

A

V

A
x
R

D

D

E
|
E

L

R

N

N

-

M

-

L

P

K

A

V

F

V

K

S

Q

R

M

M

A

H

R

R

V

V

S

S

K

V

I

I

M

L

E

K

Q

L

L

L

V

V

H

Q

A

Q

W

F

D

S

V

I

L

L

A

E

T

T

M

M

T

T

P

A

P

L

E

D

Y
x
F

S

N

A

D

I

F

R
|
R

P

E

Y

Y

L

L

G
x
S

H
x
P

S
x
A

S
|
S

G
|
G

F
|
F

Q

Q

S

S

F

L

Q

Q

Y
x
F

R
|
R

C

L

I

L

E

E

F

N

S

K

M

I

G

G

binding (6M)-1-[(imidazolidin-1-yl)methyl]-6-(1H-indol-3-yl)-1H-benzotriazole: Y3 (= Y32), Y6 (= Y35), F33 (= F57), H37 (= H61), F101 (≠ Y119), R105 (= R123), S109 (≠ G127), P110 (≠ H128), A111 (≠ S129)
binding protoporphyrin ix containing fe: F33 (= F57), H37 (= H61), Y40 (≠ S64), S112 (= S130), G113 (= G131), F114 (= F132), F119 (≠ Y137), R120 (= R138)
binding alpha-methyl-L-tryptophan: R64 (≠ A84), E66 (= E86)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 136, 285, 289, 293, 305, 306
binding alpha-methyl-L-tryptophan: 169, 172, 173, 174, 265

Query Sequence

>WP_068173999.1 NCBI__GCF_001592305.1:WP_068173999.1
MACPHHDTPASPTEAIVAEEKAQLDFSNDMSYGDYLQLDAILGAQKPLSPAHDELLFIVQ
HQTSELWMKLMLHELTAAIRNIAADELNPAFKQMARVSKIMEQLVHAWDVLATMTPPEYS
AIRPYLGHSSGFQSFQYRCIEFSMGNKNAAMLKPHAHSPERLALVQMAYEAPSLYDEALR
LLARRGIAVPASHTERDWTRPYEASDAVKQAWLQVYRNPKEHWDLYQLGEELTDLEDAFR
LWRFRHVTTVERVIGFKRGTGGTGGVSYLRKMLDVVLFPEIWTLRTEL

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