SitesBLAST

V19 (≠ I14) binding
YEAR 37:40 (≠ YEKR 32:35) binding
A57 (= A53) binding
R85 (= R81) mutation R->A,K: Abolishes kynurenine 3-monooxygenase activity.
Y99 (= Y95) mutation to A: Abolishes kynurenine 3-monooxygenase activity.; mutation to F: Strongly decreases kynurenine 3-monooxygenase activity.
R111 (= R107) binding
L136 (≠ C131) binding
T172 (≠ S167) binding
D304 (= D301) binding
F312 (= F309) mutation to A: Decreases to 30% NADPH oxidase activity.
FF 312:313 (= FF 309:310) mutation to AA: Abolishes NADPH oxidase activity.
F313 (= F310) mutation to A: Decreases to 50% NADPH oxidase activity.
MN 317:318 (= MN 314:315) binding
N363 (= N361) mutation to A: Strongly decreases kynurenine 3-monooxygenase activity.; mutation to D: Abolishes kynurenine 3-monooxygenase activity.
E366 (= E364) mutation E->A,Q: Strongly decreases kynurenine 3-monooxygenase activity.
M367 (= M365) mutation to A: Strongly decreases kynurenine 3-monooxygenase activity.; mutation to L: Strongly decreases kynurenine 3-monooxygenase activity.
Y398 (= Y396) mutation Y->A,F: Abolishes kynurenine 3-monooxygenase activity.

Sites not aligning to the query:

452 R → C: in dbSNP:rs1053230
465 modified: carbohydrate, N-linked (GlcNAc...) asparagine; N→A: Not glycosylted. Reduces to 80% kynurenine 3-monooxygenase activity.

6lkeA In meso full-length rat kmo in complex with an inhibitor identified via DNA-encoded chemical library screening (see paper)
42% identity, 90% coverage: 16:422/451 of query aligns to 16:409/428 of 6lkeA

query
sites
6lkeA

S

A

L

L

L

N

G

A

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Y

F

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L

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x
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D

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K

-

Y

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N

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K

R

binding 4-chloranyl-2-[[5-chloranyl-2-(5-methoxy-1,3-dihydroisoindol-2-yl)-1,3-thiazol-4-yl]carbonyl-methyl-amino]-5-fluoranyl-benzoic acid: R75 (= R81), Y89 (= Y95), I200 (= I211), M207 (= M218), I209 (= I220), F297 (= F309), F298 (= F310), Y383 (= Y396)
binding flavin-adenine dinucleotide: E33 (= E33), A34 (≠ K34), R35 (= R35), L46 (≠ M52), A47 (= A53), R101 (= R107), K125 (≠ S130), L126 (≠ I136), C151 (≠ A161), D152 (= D162), G153 (= G163), Y179 (= Y189), D289 (= D301), P296 (= P308), G299 (= G311), G301 (= G313), M302 (= M314), N303 (= N315)

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 9, 14

6lkdA In meso full-length rat kmo in complex with a pyrazoyl benzoic acid inhibitor (see paper)
42% identity, 90% coverage: 16:422/451 of query aligns to 16:408/427 of 6lkdA

query
sites
6lkdA

S

A

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L

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G

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x
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D

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K

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S

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x
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A

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S

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M

L

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M

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x
Q

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x
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M

M

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A

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binding 5-[5-(4-chloranyl-3-fluoranyl-phenyl)-4-methyl-pyrazol-1-yl]-2-phenylmethoxy-benzoic acid: R75 (= R81), Y89 (= Y95), L197 (= L209), I208 (= I220), F222 (= F234), F296 (= F309), N347 (= N361), M351 (= M365), F360 (= F374), Q363 (≠ R377), R364 (≠ K378), Y382 (= Y396)
binding flavin-adenine dinucleotide: E33 (= E33), A34 (≠ K34), R35 (= R35), S43 (= S49), L46 (≠ M52), A47 (= A53), R101 (= R107), D151 (= D162), Y178 (= Y189), D288 (= D301), P295 (= P308), G298 (= G311), G300 (= G313), M301 (= M314), N302 (= N315)

Sites not aligning to the query:

binding flavin-adenine dinucleotide: 9, 12, 13, 14

5x68B Crystal structure of human kmo (see paper)
43% identity, 81% coverage: 3:366/451 of query aligns to 1:354/354 of 5x68B

query
sites
5x68B

K

R

N

K

D

K

V

V

S

A

I

V

I

I

G
|
G

A

G

G

G

L
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L

I
x
V

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G

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S

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L

L

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E

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x
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R

P

E

D

D

L

T

R

R

D

-

K

-

Y

-

A

-

P

V

A

A

G

G

R

R

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S

I

I

N

N

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x
L

A
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A

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Y

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M

N

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F

F

N

N

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H

S
x
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C
x
L

E

L

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A

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N

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Y

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L

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F

M

M

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M

I

I

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A

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L

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N

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N

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S

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G

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C

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H

A

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P

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F

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G

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Q

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G

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M

N
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G

F

F

E

E

D

D

C

C

F

L

I

V

L

F

D

D

G

E

L

L

I

M

E

D

K

K

Y

F

G

-

T

S

T

N

S

D

W

L

E

S

L

L

V

C

F

L

E

P

K

V

F

F

Q

S

K

R

V

L

R

R

K

I

P

P

D

D

T

D

D

-

A

-

I

-

S

S

E

D

M

L

A

S

R

M

N

Y

N

N

F

Y

T

I

E

E

M

M

R

R

binding flavin-adenine dinucleotide: G8 (= G10), L11 (= L13), V12 (≠ I14), Y30 (= Y32), E31 (= E33), A32 (≠ K34), R33 (= R35), L45 (≠ M52), A46 (= A53), R100 (= R107), R124 (≠ S130), L125 (≠ C131), D156 (= D162), G292 (= G300), D293 (= D301), P300 (= P308), Q304 (= Q312), G305 (= G313), M306 (= M314), N307 (= N315)

Q84HF5 Kynurenine 3-monooxygenase; PfKMO; Kynurenine 3-hydroxylase; EC 1.14.13.9 from Pseudomonas fluorescens (see 5 papers)
38% identity, 92% coverage: 6:420/451 of query aligns to 10:428/461 of Q84HF5

query
sites
Q84HF5

V

V

S

T

I

I

G

G

A

A

G

G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I

I

N

N

M

L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y
|
Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S

G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D

D

G

G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y

Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I

I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F

F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

C

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G

G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P

P

F
|
F

F
x
H

G

G

Q

Q

G

G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E
|
E

M
|
M

R

S

D

S

S

K

V

V

A

A

N

S

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y
|
Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

LA 17:18 (≠ LI 13:14) binding
ERR 37:39 (≠ EKR 33:35) binding
A56 (= A53) binding
R84 (= R81) binding ; mutation to A: Abolishes kynurenine 3-monooxygenase activity.
Y98 (= Y95) binding ; mutation Y->A,F: Abolishes kynurenine 3-monooxygenase activity.
R111 (= R107) binding
L135 (≠ C131) binding
D311 (= D301) binding
FH 319:320 (≠ FF 309:310) mutation to AA: Abolishes NADPH oxidase activity.
H320 (≠ F310) mutation to A: Slightly decreases NADPH oxidase activity.
MN 324:325 (= MN 314:315) binding
N369 (= N361) binding ; mutation to A: Decreases kynurenine 3-monooxygenase activity.; mutation to D: Abolishes kynurenine 3-monooxygenase activity.
E372 (= E364) mutation E->A,Q: Strongly decreases kynurenine 3-monooxygenase activity.
M373 (= M365) mutation to A: Abolishes kynurenine 3-monooxygenase activity.; mutation to L: Decreases kynurenine 3-monooxygenase activity.
Y404 (= Y396) binding ; mutation to A: Abolishes kynurenine 3-monooxygenase activity.; mutation to F: Decreases kynurenine 3-monooxygenase activity.

5fn0A Crystal structure of pseudomonas fluorescens kynurenine-3- monooxygenase (kmo) in complex with gsk180 (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 5:423/455 of 5fn0A

query
sites
5fn0A

V

V

S

T

I

I

I
|
I

G
|
G

A

A

G
|
G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S
|
S

I

I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y
|
Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G

G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y
|
Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I

I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F

F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G

G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F
x
H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E

E

M
|
M

R

S

D

S

S

K

V

V

A

A

N

S

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y
|
Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

binding flavin-adenine dinucleotide: I8 (= I9), G9 (= G10), G11 (= G12), L12 (= L13), A13 (≠ I14), E32 (= E33), R33 (≠ K34), R34 (= R35), S47 (= S49), L50 (≠ M52), A51 (= A53), R106 (= R107), G129 (≠ S130), L130 (≠ C131), D161 (= D162), Y188 (= Y189), D306 (= D301), P313 (= P308), G316 (= G311), Q317 (= Q312), G318 (= G313), M319 (= M314), N320 (= N315)
binding 3-(5,6-dichloro-2-oxobenzo[d]oxazol-3(2h)-yl)propanoic acid: R79 (= R81), Y93 (= Y95), P313 (= P308), F314 (= F309), H315 (≠ F310), G316 (= G311), N364 (= N361), M368 (= M365), Y399 (= Y396)

5nakA Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with the enzyme substrate l-kynurenine (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 4:422/451 of 5nakA

query
sites
5nakA

V

V

S

T

I

I

I
|
I

G
|
G

A

A

G

G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R

R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I

I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y

Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G

G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y

Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I
|
I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F

F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F
x
H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N

N

F

Y

T

V

E

E

M
|
M

R

S

D

S

S

K

V

V

A

A

N

S

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y
|
Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

binding flavin-adenine dinucleotide: I7 (= I9), G8 (= G10), L11 (= L13), A12 (≠ I14), E31 (= E33), R32 (≠ K34), L49 (≠ M52), A50 (= A53), R105 (= R107), G128 (≠ S130), L129 (≠ C131), D160 (= D162), G304 (= G300), D305 (= D301), P312 (= P308), G315 (= G311), Q316 (= Q312), G317 (= G313), M318 (= M314), N319 (= N315)
binding (2S)-2-amino-4-(2-aminophenyl)-4-oxobutanoic acid: R78 (= R81), I218 (= I220), P312 (= P308), F313 (= F309), H314 (≠ F310), M367 (= M365), Y398 (= Y396)

6foxA The crystal structure of p.Fluorescens kynurenine 3-monooxygenase (kmo) in complex with kynurenine (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 3:421/449 of 6foxA

query
sites
6foxA

V

V

S

T

I

I

I
|
I

G
|
G

A

A

G
|
G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I

I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R

R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y

Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y
|
Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I

I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F

F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F

F

F

H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N

N

F

Y

T

V

E

E

M

M

R

S

D

S

S

K

V

V

A

A

N

S

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y

Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

binding calcium ion: P311 (= P308), G314 (= G311), Q315 (= Q312), G316 (= G313)
binding flavin-adenine dinucleotide: I6 (= I9), G7 (= G10), G9 (= G12), L10 (= L13), A11 (≠ I14), E30 (= E33), R31 (≠ K34), R32 (= R35), L48 (≠ M52), A49 (= A53), R104 (= R107), G127 (≠ S130), L128 (≠ C131), D159 (= D162), G160 (= G163), Y186 (= Y189), G303 (= G300), D304 (= D301), P311 (= P308), G314 (= G311), G316 (= G313), M317 (= M314), N318 (= N315)

5x6qA Crystal structure of pseudomonas fluorescens kmo in complex with ro 61-8048 (see paper)
36% identity, 96% coverage: 5:438/451 of query aligns to 2:434/445 of 5x6qA

query
sites
5x6qA

D

Q

V

V

S

T

I

I

I
|
I

G
|
G

A

A

G

G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I

I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L
x
Q

P

P

Y

Y

G

-

K

-

E

-

N

-

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y
|
Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I

I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F

F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F

F

F
x
H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E

E

M

M

R

S

D

S

S

K

V

V

A

A

N

S

P

P

R

T

F

Y

L

L

V

L

R
x
E

K
x
R

K

E

I

L

E

G

A
x
Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W
x
F

I

I

P
|
P

L
x
R

Y
|
Y

T

S

M

M

V

V

T
|
T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q
|
Q

D
x
E

E

Q

V

L

M
x
L

D

K

K

F

V

A

M

V

E

A

D

N

P

D

M

L

I

T

M

S

Q

I

N

N

W

L

Q

D

Q

A

V

V

D

E

Y

H

binding 3,4-dimethoxy-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]benzenesulfonamide: R77 (= R81), Q89 (≠ L93), P306 (= P308), H308 (≠ F310), G309 (= G311), N357 (= N361), E373 (≠ R377), R374 (≠ K378), Q378 (≠ A382), F388 (≠ W392), P390 (= P394), R391 (≠ L395), Y392 (= Y396), Y392 (= Y396), T396 (= T400), Q412 (= Q416), E413 (≠ D417), L416 (≠ M420)
binding flavin-adenine dinucleotide: I6 (= I9), G7 (= G10), L10 (= L13), A11 (≠ I14), E30 (= E33), R31 (≠ K34), R32 (= R35), L48 (≠ M52), A49 (= A53), R99 (= R107), G122 (≠ S130), L123 (≠ C131), D154 (= D162), G155 (= G163), Y181 (= Y189), G298 (= G300), D299 (= D301), P306 (= P308), G309 (= G311), Q310 (= Q312), G311 (= G313), M312 (= M314), N313 (= N315)

6fphA The crystal structure of p.Fluorescens kynurenine 3-monooxygenase (kmo) in complex with competitive inhibitor no. 1h (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 3:411/439 of 6fphA

query
sites
6fphA

V

V

S

T

I

I

I
|
I

G
|
G

A

A

G
|
G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

-

G

R

R

R

S

S

I

I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y

Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y
|
Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I
|
I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F

F

L

L

P

H

F

H

E

Q

G

S

G

P

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F

H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N

N

F

Y

T

V

E

E

M
|
M

R

-

D

-

S

-

V

-

A

S

N

S

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y
|
Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

binding 6-chloranyl-5,7-dimethyl-4-(1~{H}-1,2,3,4-tetrazol-5-ylmethyl)-1,4-benzoxazin-3-one: A48 (= A53), R76 (= R81), I216 (= I220), P305 (= P308), F306 (= F309), G308 (= G311), M360 (= M365), Y387 (= Y396)
binding flavin-adenine dinucleotide: I6 (= I9), G7 (= G10), G9 (= G12), L10 (= L13), A11 (≠ I14), E30 (= E33), R31 (≠ K34), R32 (= R35), L47 (≠ M52), A48 (= A53), R103 (= R107), G126 (≠ S130), L127 (≠ C131), D158 (= D162), G159 (= G163), Y185 (= Y189), G297 (= G300), D298 (= D301), P305 (= P308), G308 (= G311), Q309 (= Q312), G310 (= G313), M311 (= M314), N312 (= N315)

6fp1A The crystal structure of p.Fluorescens kynurenine 3-monooxygenase (kmo) in complex with competitive inhibitor no. 1 (see paper)
38% identity, 92% coverage: 6:420/451 of query aligns to 3:413/442 of 6fp1A

query
sites
6fp1A

V

V

S

T

I

I

I
|
I

G

G

A

A

G
|
G

L
|
L

I

A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

-

G

-

R

R

S

S

I

I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y
|
Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S

G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G

G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y

Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I
|
I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F

F

L

L

P

H

F

H

E

Q

G

S

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G

G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F

H

G
|
G

Q

Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E

E

M
|
M

R

-

D

-

S

S

V

S

A

A

N

S

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y
|
Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

binding 2-(6-chloranyl-5,7-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoic acid: A47 (= A53), R75 (= R81), Y89 (= Y95), I215 (= I220), P305 (= P308), F306 (= F309), G308 (= G311), N356 (= N361), M360 (= M365), Y389 (= Y396)
binding flavin-adenine dinucleotide: I6 (= I9), G9 (= G12), L10 (= L13), E30 (= E33), R31 (≠ K34), R32 (= R35), L46 (≠ M52), A47 (= A53), R102 (= R107), L126 (≠ C131), D157 (= D162), D298 (= D301), G308 (= G311), G310 (= G313), M311 (= M314), N312 (= N315)

P38169 Kynurenine 3-monooxygenase; Biosynthesis of nicotinic acid protein 4; Kynurenine 3-hydroxylase; EC 1.14.13.9 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 2 papers)
39% identity, 92% coverage: 6:420/451 of query aligns to 5:433/460 of P38169

query
sites
P38169

V

V

S

A

I

I

G

G

A

A

G

G

L

L

I

V

G

G

S

C

L

L

L

A

G

A

I

L

Y

A

L

F

Q

S

K

K

R

E

G

G

L

Y

D

N

V

V

S

T

I

L

Y

Y

E

D

K

F

R

R

P

Q

D

D

L

P

R

R

-

L

D

D

K

T

Y

K

A

N

P

K

A

N

G

L

R

K

S

S

I

I

N

N

M

L

A

A

L

I

S

S

D

A

R

R

G

G

W

I

K

D

A

A

L

L

D

K

K

S

I

I

G

D

-

P

-

D

L

A

R

C

E

E

M

H

V

I

A

L

P

Q

Y

D

V

M

I

I

P

P

M

M

Y

K

G

G

R
|
R

R

M

V

I

H

H

D

D

E

L

H

K

G

G

E

R

T

Q

S

E

F

S

L

Q

P

L

Y

Y

G

G

K

L

E

H

N

G

Q

E

A

A

I

I

Y

N

S

S

I

I

S

N

R

R

G

S

K

V

F

L

N

N

H

N

M

S

L

L

V

L

D

D

E

E

A

L

E

E

R

K

Y

S

G

T

A

T

K

E

M

L

N

K

F

F

N

G

H

H

S

K

C

L

E

V

E

K

I

I

S

E

I

W

A

T

D

D

T

D

A

K

I

Q

K

I

V

C

V

H

L

F

P

A

D

I

G

G

-

E

-

D

-

L

-

K

T

T

Q

P

E

H

Y

T

R

E

E

K

T

Y

D

D

V

F

I

V

I

I

G

G

A

C

D

D

G

G

A

A

Y

Y

S

S

S

A

L

T

R

R

D

S

A

Q

M

M

Q

Q

R

R

Q

K

T

V

R

E

L

M

N

D

Y

F

K

S

Q

Q

E

E

Y

Y

I

M

S

N

H

L

G

R

Y

Y

K

I

E

E

L

L

T

Y

I

I

P

P

T

T

A

E

E

E

-

F

-

K

-

P

-

N

-

Y

-

G

G

G

E

N

F

F

A

A

M

I

D

A

P

P

N

D

A

H

L

L

H

H

I

I

W

W

P

P

R

R

G

H

Q

K

F

F

M

M

L

L

I

I

A

A

L

L

P

A

N

N

P

S

D

D

K

G

S

S

F

F

T

T

C

S

T

T

L

F

F

F

L

-

P

-

F

-

E

-

G

G

G

S

K

K

V

-

C

-

F

-

D

D

K

Q

I

I

N

S

D

D

E

L

E

I

D

T

L

S

E

K

S

S

V

R

F

V

K

R

T

E

Y

F

-

L

-

I

-

E

-

N

F

F

A

P

D

D

A

I

F

I

A

N

L

I

M

M

P

D

-

L

-

D

D

D

L

A

N

V

K

K

E

R

Y

F

F

I

G

T

N

Y

P

P

T

K

S

E

S

S

L

L

I

V

N

C

V

V

E

N

C

C

F

K

P

P

W

Y

-

D

-

V

L

P

A

G

N

G

K

K

S

A

M

I

L

L

I

L

G

G

D

D

A

A

C

A

H

H

A

A

M

M

V

V

P

P

F
|
F

F
x
Y

G

G

Q

Q

G

G

M

M

N

N

C

C

G

G

F

F

E

E

D

D

C

V

F

R

I

I

L

L

D

M

G

A

L

L

I

L

E

K

K

K

Y

H

G

-

T

S

T

G

S

D

W

R

E

S

L

R

V

A

F

F

E

T

K

E

F

Y

Q

T

K

Q

V

T

R

R

K

H

P

K

D

D

T

L

D

V

A

S

I

I

S

T

E

E

M

L

A

A

R

K

N

R

N

N

F

Y

T

K

E

E

M

M

R

S

D

H

S

D

V

V

A

T

N

S

P

K

R

R

F

F

L

L

V

L

R

R

K

K

I

L

E

D

A

A

K

L

L

F

H

S

E

I

L

I

Y

M

P

K

T

D

E

K

W

W

I

I

P

P

L

L

Y

Y

T

T

M

M

V

I

T

S

F

F

-

R

S

S

D

D

M

I

K

S

Y

Y

A

S

D

R

A

A

Y

L

A

E

Q

R

G

A

K

G

L

K

Q

Q

D

T

E

R

V

I

M

L

R83 (= R81) mutation to A: Strongly decreases enzymatic activity.; mutation to M: Abolsihes enzymatic activity.
FY 322:323 (≠ FF 309:310) mutation to AA: Abolishes NADPH oxidase activity.

5nahA Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with 3-{5-chloro-6-[(1r)-1-(6-methylpyridazin-3-yl)ethoxy]-1,2- benzoxazol-3-yl}propanoic acid (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 4:419/448 of 5nahA

query
sites
5nahA

V

V

S

T

I

I

I
|
I

G
|
G

A

A

G
|
G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I
|
I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y
|
Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A
|
A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y
|
Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I
|
I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F
|
F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F

H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G
x
A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N

N

F

Y

T

V

E

E

M
|
M

R

S

D

S

S

S

V

-

A

-

N

-

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y

Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

binding 3-[5-chloranyl-6-[(1~{R})-1-(6-methylpyridazin-3-yl)ethoxy]-1,2-benzoxazol-3-yl]propanoic acid: R78 (= R81), Y92 (= Y95), Y187 (= Y189), I218 (= I220), F232 (= F234), P312 (= P308), F313 (= F309), G315 (= G311), M367 (= M365)
binding flavin-adenine dinucleotide: I7 (= I9), G8 (= G10), G10 (= G12), L11 (= L13), A12 (≠ I14), E31 (= E33), R32 (≠ K34), R33 (= R35), I47 (= I50), L49 (≠ M52), A50 (= A53), R105 (= R107), G128 (≠ S130), L129 (≠ C131), A159 (= A161), D160 (= D162), G161 (= G163), G304 (= G300), D305 (= D301), G315 (= G311), Q316 (= Q312), G317 (= G313), M318 (= M314), N319 (= N315), A321 (≠ G317)

5nagA Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with 3-{5-chloro-6-[(1r)-1-(pyridin-2-yl)ethoxy]-1,2-benzoxazol-3- yl}propanoic acid (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 4:419/448 of 5nagA

query
sites
5nagA

V

V

S

T

I

I

I
|
I

G
|
G

A

A

G
|
G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I
|
I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y
|
Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A
|
A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y

Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I
|
I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F
|
F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F

H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E

E

M
|
M

R

S

D

S

S

S

V

-

A

-

N

-

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y

Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

binding 3-[5-chloranyl-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,2-benzoxazol-3-yl]propanoic acid: R78 (= R81), Y92 (= Y95), I218 (= I220), F232 (= F234), P312 (= P308), F313 (= F309), G315 (= G311), N363 (= N361), M367 (= M365)
binding flavin-adenine dinucleotide: I7 (= I9), G8 (= G10), G10 (= G12), L11 (= L13), A12 (≠ I14), E31 (= E33), R32 (≠ K34), R33 (= R35), I47 (= I50), L49 (≠ M52), A50 (= A53), R105 (= R107), G128 (≠ S130), L129 (≠ C131), A159 (= A161), D160 (= D162), G161 (= G163), G304 (= G300), D305 (= D301), G315 (= G311), Q316 (= Q312), G317 (= G313), M318 (= M314), N319 (= N315)

5naeA Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with 3-{5-chloro-2-oxo-6-[(1r)-1-(pyridin-2-yl)ethoxy]-2,3-dihydro-1, 3-benzoxazol-3-yl}propanoic acid (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 4:419/448 of 5naeA

query
sites
5naeA

V

V

S

T

I

I

I
|
I

G
|
G

A

A

G
|
G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R

R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I
|
I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y
|
Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y

Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I
|
I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F
|
F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F
x
H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E

E

M
|
M

R

S

D

S

S

S

V

-

A

-

N

-

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y

Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

binding 3-[5-chloranyl-2-oxidanylidene-6-[(1~{R})-1-pyridin-2-ylethoxy]-1,3-benzoxazol-3-yl]propanoic acid: R78 (= R81), Y92 (= Y95), I218 (= I220), F232 (= F234), P312 (= P308), F313 (= F309), H314 (≠ F310), G315 (= G311), N363 (= N361), M367 (= M365)
binding flavin-adenine dinucleotide: I7 (= I9), G8 (= G10), G10 (= G12), L11 (= L13), A12 (≠ I14), E31 (= E33), R32 (≠ K34), I47 (= I50), L49 (≠ M52), A50 (= A53), R105 (= R107), G128 (≠ S130), L129 (≠ C131), D160 (= D162), G161 (= G163), G304 (= G300), D305 (= D301), G315 (= G311), Q316 (= Q312), G317 (= G313), M318 (= M314), N319 (= N315)

5nabA Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with 3-(5-chloro-6-methyl-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl) propanoic acid (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 4:419/448 of 5nabA

query
sites
5nabA

V

V

S

T

I

I

I
|
I

G

G

A

A

G
|
G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I

I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y
|
Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y

Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I
|
I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F
|
F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F
x
H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E

E

M
|
M

R

S

D

S

S

S

V

-

A

-

N

-

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y

Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

binding 3-(5-chloranyl-6-methyl-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid: R78 (= R81), Y92 (= Y95), I218 (= I220), F232 (= F234), P312 (= P308), F313 (= F309), H314 (≠ F310), G315 (= G311), N363 (= N361), M367 (= M365)
binding flavin-adenine dinucleotide: I7 (= I9), G10 (= G12), L11 (= L13), A12 (≠ I14), E31 (= E33), R32 (≠ K34), R33 (= R35), L49 (≠ M52), A50 (= A53), R105 (= R107), G128 (≠ S130), L129 (≠ C131), D160 (= D162), G161 (= G163), G304 (= G300), D305 (= D301), P312 (= P308), G315 (= G311), Q316 (= Q312), G317 (= G313), M318 (= M314), N319 (= N315)

5mzkA Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3- benzoxazol-3-yl]propanoic acid (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 4:419/448 of 5mzkA

query
sites
5mzkA

V

V

S

T

I

I

I
|
I

G
|
G

A

A

G
|
G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I

I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y
|
Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y

Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I

I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T
|
T

L

L

F
|
F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F
x
H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E

E

M
|
M

R

S

D

S

S

S

V

-

A

-

N

-

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y
|
Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V
x
L

M

L

binding flavin-adenine dinucleotide: I7 (= I9), G8 (= G10), G10 (= G12), L11 (= L13), A12 (≠ I14), E31 (= E33), R32 (≠ K34), R33 (= R35), L49 (≠ M52), A50 (= A53), R105 (= R107), G128 (≠ S130), L129 (≠ C131), D160 (= D162), G161 (= G163), G304 (= G300), D305 (= D301), P312 (= P308), G315 (= G311), Q316 (= Q312), G317 (= G313), M318 (= M314), N319 (= N315)
binding 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid: R78 (= R81), Y92 (= Y95), T230 (= T232), F232 (= F234), P312 (= P308), F313 (= F309), H314 (≠ F310), G315 (= G311), N363 (= N361), M367 (= M365), Y395 (= Y396), L418 (≠ V419)

Sites not aligning to the query:

binding 3-[5-chloro-6-(cyclobutylmethoxy)-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl]propanoic acid: 421, 422, 426, 433, 440

5mziA Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3- yl)propanoic acid (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 4:419/448 of 5mziA

query
sites
5mziA

V

V

S

T

I

I

I
|
I

G

G

A
|
A

G
|
G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L
x
P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I

I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y

Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G
x
D

K

R

F

L

N
|
N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y
|
Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I
|
I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F
|
F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F
x
H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E

E

M
|
M

R

S

D

S

S

S

V

-

A

-

N

-

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y

Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V
x
L

M

L

binding flavin-adenine dinucleotide: I7 (= I9), G10 (= G12), L11 (= L13), A12 (≠ I14), E31 (= E33), R32 (≠ K34), R33 (= R35), L49 (≠ M52), A50 (= A53), R105 (= R107), G128 (≠ S130), L129 (≠ C131), D160 (= D162), G161 (= G163), Y187 (= Y189), G304 (= G300), D305 (= D301), P312 (= P308), G315 (= G311), Q316 (= Q312), G317 (= G313), M318 (= M314), N319 (= N315)
binding 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid: A9 (= A11), E31 (= E33), R33 (= R35), P36 (≠ L38), R78 (= R81), R105 (= R107), D106 (≠ G108), N109 (= N111), I218 (= I220), F232 (= F234), P312 (= P308), F313 (= F309), H314 (≠ F310), G315 (= G311), N363 (= N361), M367 (= M365), L418 (≠ V419)

Sites not aligning to the query:

binding 3-(5-chloro-6-cyclopropoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl)propanoic acid: 421, 422, 433, 440

5mzcA Pseudomonas fluorescens kynurenine 3-monooxygenase (kmo) in complex with 3-(5-chloro-6-ethoxy-2-oxo-2,3-dihydro-1,3-benzoxazol-3-yl) propanoic acid (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 4:419/448 of 5mzcA

query
sites
5mzcA

V

V

S

T

I

I

I
|
I

G
|
G

A
|
A

G
|
G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

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W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R
|
R

P

P

D

D

L
x
P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I

I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y
|
Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N
|
N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S
x
G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

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T

V

L

V

S

L

N

P

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D

S

G

G

T

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Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

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L

N

G

Y

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H

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E

Y

T

I

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S

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H

H

G

G

Y
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Y

K

K

E

E

L

L

T

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I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L
|
L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

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C

I
|
I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F
|
F

L

L

P

H

F

H

E

Q

G

S

-

P

-

A

-

Q

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

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N

V

D

D

E

G

E

H

D

A

L

A

E

R

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R

V

F

F

F

K

Q

T

R

Y

Q

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F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

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E

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Y

F

F

E

G

H

N

H

P

P

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T

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G

S

K

L

L

I

A

N

T

V

L

E

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C

L

F

T

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T

W

W

-

H

L

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A

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N

G

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M

V

L

L

I

L

G

G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F
x
H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E

E

M
|
M

R

S

D

S

S

S

V

-

A

-

N

-

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y

Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V
x
L

M

L

binding 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid: A9 (= A11), R33 (= R35), P36 (≠ L38), R78 (= R81), Y92 (= Y95), R105 (= R107), N109 (= N111), L207 (= L209), I218 (= I220), F232 (= F234), P312 (= P308), F313 (= F309), H314 (≠ F310), G315 (= G311), N363 (= N361), M367 (= M365), L418 (≠ V419)
binding flavin-adenine dinucleotide: I7 (= I9), G8 (= G10), G10 (= G12), L11 (= L13), A12 (≠ I14), E31 (= E33), R32 (≠ K34), R33 (= R35), L49 (≠ M52), A50 (= A53), R105 (= R107), G128 (≠ S130), L129 (≠ C131), D160 (= D162), G161 (= G163), Y187 (= Y189), D305 (= D301), P312 (= P308), G315 (= G311), Q316 (= Q312), G317 (= G313), M318 (= M314), N319 (= N315)

Sites not aligning to the query:

binding 3-(5-chloranyl-6-ethoxy-2-oxidanylidene-1,3-benzoxazol-3-yl)propanoic acid: 421, 422, 440

6fp0B The crystal structure of p.Fluorescens kynurenine 3-monooxygenase (kmo) in complex with competitive inhibitor no. 4 (see paper)
37% identity, 92% coverage: 6:420/451 of query aligns to 3:412/441 of 6fp0B

query
sites
6fp0B

V

V

S

T

I

I

G
|
G

A

A

G

G

L
|
L

I
x
A

G

G

S

T

L

L

L

V

G

A

I

R

Y

L

L

L

Q

A

K

R

R

N

G

G

L

W

D

Q

V

V

S

N

I

L

Y

F

E
|
E

K
x
R

R

R

P

P

D

D

L

P

R

R

D

I

K

E

K

T

Y

G

A

A

P

-

A

R

G

G

R

R

S

S

I
|
I

N

N

M
x
L

A
|
A

L

L

S

A

D

E

R

R

G

G

W

A

K

H

A

A

L

L

D

R

K

L

I

A

G

G

L

L

R

E

E

R

M

E

V

V

A

L

P

A

Y

E

V

A

I

V

P

M

M

M

Y

R

G

G

R
|
R

R

M

V

V

H

H

D

V

E

P

H

G

G

T

E

P

T

P

S

N

F

L

L

Q

P

P

Y
|
Y

G

G

K

R

E

D

N

D

-

S

Q

E

A

V

I

I

Y

W

S

S

I

I

S

N

R
|
R

G

D

K

R

F

L

N

N

H

R

M

I

L

L

V

L

D

D

E

G

A

A

E

E

R

A

Y

A

G

G

A

A

K

S

M

I

N

H

F

F

N

N

H

L

S

G

C
x
L

E

D

E

S

I

V

S

D

I

F

A

A

D

R

T

Q

A

R

I

L

K

T

V

L

V

S

L

N

P

V

D

S

G

G

T

E

Q

R

E

L

Y

E

R

K

E

R

T

F

D

H

V

L

I

L

I

I

G

G

A

A

D
|
D

G
|
G

A

C

Y

N

S

S

S

A

L

V

R

R

D

Q

A

A

M

M

Q

A

R

S

Q

V

T

V

R

D

L

L

N

G

Y

E

K

H

Q

L

E

E

Y

T

I

Q

S

P

H

H

G

G

Y
|
Y

K

K

E

E

L

L

T

Q

I

I

P

T

P

P

T

E

A

A

E

S

G

A

E

Q

F

F

A

N

M

L

D

E

P

P

N

N

A

A

L

L

H

H

I

I

W

W

P

P

R

H

G

G

Q

D

F

Y

M

M

L

C

I
|
I

A

A

L

L

P

P

N

N

P

L

D

D

K

R

S

S

F

F

T

T

C

V

T

T

L

L

F
|
F

L

L

P

H

F

H

E

Q

G

S

-

P

G

A

K

S

V

P

C

S

F

F

D

A

K

Q

I

L

N

V

D

D

E

G

E

H

D

A

L

A

E

R

S

R

V

F

F

F

K

Q

T

R

Y

Q

F

F

A

P

D

D

A

L

F

S

A

P

L

M

M

L

P

D

D

S

L

L

N

E

K

Q

E

D

Y

F

F

E

G

H

N

H

P

P

T

T

S

G

S

K

L

L

I

A

N

T

V

L

E

R

C

L

F

T

P

T

W

W

-

H

L

V

A

G

N

G

K

Q

S

A

M

V

L

L

I

L

G
|
G

D
|
D

A

A

C

A

H

H

A

P

M

M

V

V

P
|
P

F
|
F

F
x
H

G
|
G

Q
|
Q

G
|
G

M
|
M

N
|
N

C

C

G

A

F

L

E

E

D

D

C

A

F

V

I

A

L

L

D

A

G

E

L

H

I

L

E

Q

K

S

Y

A

G

A

T

D

T

N

S

A

W

-

E

-

L

S

V

A

F

L

E

A

K

A

F

F

Q

T

K

A

V

Q

R

R

K

Q

P

P

D

D

T

A

D

L

A

A

I

I

S

Q

E

A

M

M

A

A

R

L

N

E

N
|
N

F

Y

T

V

E
|
E

M
|
M

R

-

D

-

S

-

V

-

A

-

N

S

P

P

R

T

F

Y

L

L

V

L

R

E

K

R

K

E

I

L

E

G

A

Q

K

I

L

M

H

A

E

Q

L

R

Y

Q

P

P

T

T

E

R

W

F

I

I

P

P

L

R

Y
|
Y

T

S

M

M

V

V

T

T

F

F

S

S

D

R

M

L

K

P

Y

Y

A

A

D

Q

A

A

Y

M

A

A

Q

R

G

G

K

Q

L

I

Q

Q

D

E

E

Q

V

L

M

L

binding (2~{R})-2-[[(2~{R})-5-chloranyl-1-methyl-2,3-dihydroindol-2-yl]carbonylamino]-2-cyclohexyl-ethanoic acid: R77 (= R81), Y91 (= Y95), I217 (= I220), F231 (= F234), P307 (= P308), F308 (= F309), H309 (≠ F310), G310 (= G311), N358 (= N361), E361 (= E364), M362 (= M365), Y388 (= Y396)
binding flavin-adenine dinucleotide: G7 (= G10), L10 (= L13), A11 (≠ I14), E30 (= E33), R31 (≠ K34), I46 (= I50), L48 (≠ M52), A49 (= A53), R104 (= R107), L128 (≠ C131), D159 (= D162), G160 (= G163), Y186 (= Y189), G299 (= G300), D300 (= D301), P307 (= P308), G310 (= G311), Q311 (= Q312), G312 (= G313), M313 (= M314), N314 (= N315)

Query Sequence

>Echvi_1450 FitnessBrowser__Cola:Echvi_1450
MKKNDVSIIGAGLIGSLLGIYLQKRGLDVSIYEKRPDLRDKKYAPAGRSINMALSDRGWK
ALDKIGLREMVAPYVIPMYGRRVHDEHGETSFLPYGKENQAIYSISRGKFNHMLVDEAER
YGAKMNFNHSCEEISIADTAIKVVLPDGTQEYRETDVIIGADGAYSSLRDAMQRQTRLNY
KQEYISHGYKELTIPPTAEGEFAMDPNALHIWPRGQFMLIALPNPDKSFTCTLFLPFEGG
KVCFDKINDEEDLESVFKTYFADAFALMPDLNKEYFGNPTSSLINVECFPWLANKSMLIG
DACHAMVPFFGQGMNCGFEDCFILDGLIEKYGTTSWELVFEKFQKVRKPDTDAISEMARN
NFTEMRDSVANPRFLVRKKIEAKLHELYPTEWIPLYTMVTFSDMKYADAYAQGKLQDEVM
DKVMEDPMIMQNWQQVDYGAIISQIETARMV

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