SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing 5209240 FitnessBrowser__PV4:5209240 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)

P12995 Adenosylmethionine-8-amino-7-oxononanoate aminotransferase; 7,8-diamino-pelargonic acid aminotransferase; DAPA AT; DAPA aminotransferase; 7,8-diaminononanoate synthase; DANS; Diaminopelargonic acid synthase; EC 2.6.1.62 from Escherichia coli (strain K12) (see 4 papers)
61% identity, 93% coverage: 5:421/446 of query aligns to 2:417/429 of P12995

query
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P12995

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Y17 (= Y20) mutation to F: Severely reduces the aminotransferase activity.
W52 (= W55) binding
GS 112:113 (= GS 115:116) binding
Y144 (= Y148) mutation to F: Severely reduces the aminotransferase activity.
D147 (= D151) mutation to N: Loss of aminotransferase activity.
D245 (= D249) binding
R253 (= R257) mutation to A: Has only a small effect on the rate of reaction with DAPA.; mutation to K: Increases aminotransferase activity toward SAM.; mutation to M: Loss of aminotransferase activity.; mutation to Q: Increases aminotransferase activity toward SAM.
K274 (= K278) binding ; modified: N6-(pyridoxal phosphate)lysine
G307 (= G311) binding
PT 308:309 (= PT 312:313) binding
R391 (= R395) binding ; mutation to A: Reduces aminotransferase activity.

6ed7A Crystal structure of 7,8-diaminopelargonic acid synthase bound to inhibitor mac13772
61% identity, 93% coverage: 5:421/446 of query aligns to 2:417/429 of 6ed7A

query
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active site: Y17 (= Y20), Y144 (= Y148), D245 (= D249), K274 (= K278)
binding 2-[(2-nitrophenyl)sulfanyl]acetohydrazide: P16 (= P19), Y17 (= Y20), W52 (= W55), W52 (= W55), W53 (= W56), Y144 (= Y148), Y144 (= Y148), D147 (= D151), A217 (= A221), K274 (= K278), R391 (= R395), F393 (= F397), F393 (= F397), Y398 (= Y402)
binding pyridoxal-5'-phosphate: S111 (= S114), G112 (= G115), S113 (= S116), Y144 (= Y148), H145 (= H149), G146 (= G150), E211 (= E215), D245 (= D249), I247 (= I251), A248 (= A252), K274 (= K278), P308 (= P312), T309 (= T313)

1mlzA Crystal structure of 7,8-diaminopelargonic acid synthase in complex with the trans-isomer of amiclenomycin. (see paper)
61% identity, 93% coverage: 5:421/446 of query aligns to 2:416/427 of 1mlzA

query
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1mlzA

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Q

L

L

S

Q

R

R

L

L

T

T

Q

A

A

A

M

V

active site: Y17 (= Y20), Y144 (= Y148), E210 (= E215), D244 (= D249), A247 (= A252), K273 (= K278), Y397 (= Y402)
binding pyridoxal-5'-phosphate: S111 (= S114), G112 (= G115), S113 (= S116), Y144 (= Y148), H145 (= H149), G146 (= G150), E210 (= E215), D244 (= D249), I246 (= I251), A247 (= A252), K273 (= K278), P307 (= P312), T308 (= T313)
binding trans-amiclenomycin: W52 (= W55), W53 (= W56), Y144 (= Y148), K273 (= K278), R390 (= R395), F392 (= F397)

1mlyA Crystal structure of 7,8-diaminopelargonic acid synthase in complex with the cis isomer of amiclenomycin (see paper)
61% identity, 93% coverage: 5:421/446 of query aligns to 2:416/427 of 1mlyA

query
sites
1mlyA

T

T

Q

T

I

D

D

D

H

L

Q

A

F

F

D

D

R

Q

Q

R

H

H

I

I

W

L

H

H

P

P

Y
|
Y

T

T

S

S

M

M

T

T

Q

S

A

P

L

L

P

P

V

V

Y

Y

G

P

V

V

S

S

A

A

E

E

G

G

C

C

E

E

L

L

I

I

L

L

D

S

D

D

G

G

R

R

L

L

I

V

D

D

G

G

T

M

S

S

W
|
W

A

A

C

A

V

I

H

H

G

G

Y

Y

G

N

H

H

P

P

Y

Q

I

L

L

N

E

A

A

A

M

M

Q

K

K

S

Q

Q

L

I

S

D

T

A

L

M

S

S

H

H

V

V

M

M

F

F

G

G

I

I

T

T

H

H

P

A

S

P

A

A

I

I

A

E

V

L

S

C

K

R

K

K

L

L

L

V

A

A

M

M

T

T

S

P

D

Q

N

P

L

L

T

E

K

C

V

V

F

F

L

L

A

A

D

D

S
|
S

G
|
G

S
|
S

I

V

A

A

V

V

E

E

V

V

A

A

M

M

K

K

M

M

A

A

L

L

Q

Q

Y

Y

W

W

Q

Q

G

A

R

K

G

G

A

E

P

-

S

A

K

R

Q

Q

R

R

I

F

L

L

T

T

V

F

K

R

H

N

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

G

A

A

M

M

S

S

V

V

C

C

D

D

P

P

E

D

G

N

G

S

M

M

H

H

T

S

M

L

F

W

G

K

E

G

A

Y

V

L

T

P

Q

E

Q

N

L

L

F

F

A

A

P

P

A

A

P

P

K

Q

T

S

P

R

F

M

G

G

E

E

T

-

L

W

I

D

A

E

D

R

D

D

L

M

E

V

A

G

M

F

E

A

A

R

L

L

L

M

N

A

A

A

H

H

H

R

Q

H

T

E

I

I

A

A

V

V

I

I

E
|
E

P

P

I

I

M

V

Q

Q

G

G

A

A

G

G

A

G

M

M

H

R

F

M

Y

Y

S

H

A

P

D

E

Y

W

L

L

K

K

G

R

L

I

R

R

A

K

L

I

C

C

D

D

R

R

Y

E

K

G

V

I

L

L

I

I

L

A

D
|
D

E

E

I
|
I

A
|
A

T

T

G

G

F

F

G

G

R

R

T

T

G

G

K

K

L

L

F

F

A

A

Y

C

Q

E

H

H

A

A

G

E

I

I

E

A

A

P

D

D

I

I

L

L

C

C

L

L

G

G

K
|
K

A

A

L

L

T

T

G

G

Y

T

I

M

S

T

L

L

A

S

A

A

T

T

L

L

C

T

S

T

D

R

E

E

V

V

A

A

L

E

G

T

I

I

S

S

D

N

S

G

P

E

S

A

G

G

V

C

F

F

M

M

H

H

G
|
G

P
|
P

T
|
T

F

F

M

M

G

G

N

N

P

P

L

L

A

A

C

C

A

A

S

N

A

A

S

S

L

L

D

A

L

I

I

L

N

E

Q

S

H

G

Q

D

W

W

P

Q

E

Q

Q

Q

V

V

A

A

A

D

I

I

E

E

Q

V

Q

Q

M

L

K

R

Q

E

E

Q

L

L

A

A

T

P

A

A

S

R

A

D

I

A

E

E

G

M

V

V

K

A

A

D

V

V

R

R

C

V

L

L

G

G

A

A

V

I

G

G

V

V

I

V

E

E

M

T

T

T

R

H

S

P

V

V

N

N

T

M

A

A

L

L

Q

Q

Q

K

A

F

F

F

V

V

D

E

R

Q

G

G

V

V

W

W

V

I

R
|
R

P

P

F
|
F

S

G

S

K

Y

L

I

I

Y
|
Y

I

L

M

M

P

P

Y

Y

T

I

I

I

S

L

A

P

Q

Q

L

L

S

Q

R

R

L

L

T

T

Q

A

A

A

M

V

active site: Y17 (= Y20), Y144 (= Y148), E210 (= E215), D244 (= D249), A247 (= A252), K273 (= K278), Y397 (= Y402)
binding cis-amiclenomycin: W52 (= W55), W53 (= W56), Y144 (= Y148), K273 (= K278), G306 (= G311), T308 (= T313), R390 (= R395), F392 (= F397)
binding pyridoxal-5'-phosphate: S111 (= S114), G112 (= G115), S113 (= S116), Y144 (= Y148), H145 (= H149), G146 (= G150), E210 (= E215), D244 (= D249), I246 (= I251), A247 (= A252), K273 (= K278), P307 (= P312), T308 (= T313)

1dtyA Crystal structure of adenosylmethionine-8-amino-7-oxonanoate aminotransferase with pyridoxal phosphate cofactor.
60% identity, 93% coverage: 5:421/446 of query aligns to 2:417/429 of 1dtyA

query
sites
1dtyA

T

T

Q

T

I

D

D

D

H

L

Q

A

F

F

D

D

R

E

Q

R

H

H

I

I

W

W

H

H

P

P

Y
|
Y

T

T

S

S

M

M

T

T

Q

S

A

P

L

L

P

P

V

V

Y

Y

G

P

V

V

S

S

A

A

E

E

G

G

C

C

E

E

L

L

I

I

L

L

D

S

D

D

G

G

R

R

L

L

I

V

D

D

G

G

T

M

S

S

W

W

A

A

C

A

V

I

H

H

G

G

Y

Y

G

N

H

H

P

P

Y

Q

I

L

L

N

E

A

A

A

M

M

Q

K

K

S

Q

Q

L

I

S

D

T

A

L

M

S

S

H

H

V

V

M

M

F

F

G

G

G

E

I

I

T

T

H

H

P

A

S

P

A

A

I

I

A

E

V

L

S

C

K

R

K

K

L

L

L

V

A

A

M

M

T

T

S

P

D

Q

N

P

L

L

T

E

K

C

V

V

F

F

L

L

A

A

D

D

S
|
S

G
|
G

S
|
S

I

V

A

A

V

V

E

E

V

V

A

A

M

M

K

K

M

M

A

A

L

L

Q

Q

Y

Y

W

W

Q

D

G

A

R

K

G

G

A

E

P

-

S

A

K

R

Q

D

R

R

I

F

L

L

T

T

V

F

K

R

H

N

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

G

A

A

M

M

S

S

V

V

C

C

D

D

P

P

E

D

G

N

G

S

M

M

H

H

T

S

M

L

F

W

G

K

E

G

A

Y

V

L

T

P

Q

E

Q

N

L

L

F

F

A

A

P

P

A

A

P

P

K

Q

T

S

P

R

F

M

G

D

E

G

T

E

L

W

I

D

A

E

D

R

D

D

L

M

E

V

A

G

M

F

E

A

A

R

L

L

L

M

N

A

A

A

H

H

H

R

Q

H

T

E

I

I

A

A

V

V

I

I

E
|
E

P

P

I

I

M

V

Q

Q

G

G

A

A

G

G

A

G

M

M

H

R

F

M

Y

Y

S

H

A

P

D

E

Y

W

L

L

K

K

G

R

L

I

R

R

A

K

L

I

C

C

D

D

R

R

Y

E

K

G

V

I

L

L

I

I

L

A

D
|
D

E

E

I
|
I

A
|
A

T

T

G

G

F

F

G

G

R

R

T

T

G

G

K

K

L

L

F

F

A

A

Y

C

Q

E

H

H

A

A

G

E

I

I

E

A

A

P

D

D

I

I

L

L

C

C

L

L

G

G

K
|
K

A

A

L

L

T

T

G

G

Y

T

I

M

S

T

L

L

A

S

A

A

T

T

L

L

C

T

S

T

D

R

E

E

V

V

A

A

L

E

G

T

I

I

S

S

D

D

S

G

P

E

S

A

G

G

V

C

F

F

M

M

H

H

G

G

P
|
P

T
|
T

F

F

M

M

G

G

N

N

P

P

L

L

A

A

C

C

A

A

S

N

A

A

S

S

L

L

D

A

L

I

I

L

N

E

Q

S

H

G

Q

D

W

W

P

Q

E

Q

Q

Q

V

V

A

A

A

D

I

I

E

E

Q

V

Q

Q

M

L

K

R

Q

E

E

Q

L

L

A

A

T

P

A

A

S

R

A

D

I

A

E

E

G

M

V

V

K

A

A

D

V

V

R

R

C

V

L

L

G

G

A

A

V

I

G

G

V

V

I

V

E

E

M

T

T

T

R

H

S

P

V

V

N

N

T

M

A

A

L

L

Q

Q

Q

K

A

F

F

F

V

V

D

E

R

Q

G

G

V

V

W

W

V

I

R

R

P

P

F

F

S

G

S

K

Y

L

I

I

Y
|
Y

I

L

M

M

P

P

Y

Y

T

I

I

I

S

L

A

P

Q

Q

L

L

S

Q

R

R

L

L

T

T

Q

A

A

A

M

V

active site: Y17 (= Y20), Y144 (= Y148), E211 (= E215), D245 (= D249), A248 (= A252), K274 (= K278), Y398 (= Y402)
binding pyridoxal-5'-phosphate: S111 (= S114), G112 (= G115), S113 (= S116), Y144 (= Y148), H145 (= H149), G146 (= G150), E211 (= E215), D245 (= D249), I247 (= I251), A248 (= A252), K274 (= K278), P308 (= P312), T309 (= T313)

1qj3A Crystal structure of 7,8-diaminopelargonic acid synthase in complex with 7-keto-8-aminopelargonic acid (see paper)
60% identity, 93% coverage: 5:421/446 of query aligns to 2:405/416 of 1qj3A

query
sites
1qj3A

T

T

Q

T

I

D

D

D

H

L

Q

A

F

F

D

D

R

Q

Q

R

H

H

I

I

W

L

H

H

P

P

Y
|
Y

T

T

S

S

M

M

T

T

Q

S

A

P

L

L

P

P

V

V

Y

Y

G

P

V

V

S

S

A

A

E

E

G

G

C

C

E

E

L

L

I

I

L

L

D

S

D

D

G

G

R

R

L

L

I

V

D

D

G

G

T

M

S

S

W
|
W

W

W

A

A

C

A

V

I

H

H

G

G

Y

Y

G

N

H

H

P

P

Y

Q

I

L

L

N

E

A

A

A

M

M

Q

K

K

S

Q

Q

L

I

S

D

T

A

L

M

S

S

H

H

V

V

M

M

F

F

G

G

I

I

T

T

H

H

P

A

S

P

A

A

I

I

A

E

V

L

S

C

K

R

K

K

L

L

L

V

A

A

M

M

T

T

S

P

D

Q

N

P

L

L

T

E

K

C

V

V

F

F

L

L

A

A

D

D

S

S

G
|
G

S
|
S

I

V

A

A

V

V

E

E

V

V

A

A

M

M

K

K

M

M

A

A

L

L

Q

Q

Y

Y

W

W

Q

Q

G

A

R

K

G

G

A

E

P

-

S

A

K

R

Q

Q

R

R

I

F

L

L

T

T

V

F

K

R

H

N

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

G

A

A

M

M

S

S

V

V

C

C

D

D

P

P

E

D

G

N

G

-

M

-

H

-

T

-

M

-

F

-

G

-

E

-

A

-

V

L

T

P

Q

E

Q

N

L

L

F

F

A

A

P

P

A

A

P

P

K

Q

T

S

P

R

F

M

G

G

E

E

T

-

L

W

I

D

A

E

D

R

D

D

L

M

E

V

A

G

M

F

E

A

A

R

L

L

L

M

N

A

A

A

H

H

H

R

Q

H

T

E

I

I

A

A

V

V

I

I

E
|
E

P

P

I

I

M

V

Q

Q

G

G

A
|
A

G

G

A

G

M

M

H

R

F

M

Y

Y

S

H

A

P

D

E

Y

W

L

L

K

K

G

R

L

I

R

R

A

K

L

I

C

C

D

D

R

R

Y

E

K

G

V

I

L

L

I

I

L

A

D
|
D

E

E

I
|
I

A
|
A

T

T

G

G

F

F

G

G

R

R

T

T

G

G

K

K

L

L

F

F

A

A

Y

C

Q

E

H

H

A

A

G

E

I

I

E

A

A

P

D

D

I

I

L

L

C

C

L

L

G

G

K
|
K

A

A

L

L

T

T

G

G

Y

T

I

M

S

T

L

L

A

S

A

A

T

T

L

L

C

T

S

T

D

R

E

E

V

V

A

A

L

E

G

T

I

I

S

S

D

N

S

-

P

-

S

G

G

G

V

C

F

F

M

M

H

H

G
|
G

P
|
P

T
|
T

F

F

M

M

G

G

N

N

P

P

L

L

A

A

C

C

A

A

S

N

A

A

S

S

L

L

D

A

L

I

I

L

N

E

Q

S

H

G

Q

D

W

W

P

Q

E

Q

Q

Q

V

V

A

A

A

D

I

I

E

E

Q

V

Q

Q

M

L

K

R

Q

E

E

Q

L

L

A

A

T

P

A

A

S

R

A

D

I

A

E

E

G

M

V

V

K

A

A

D

V

V

R

R

C

V

L

L

G

G

A

A

V

I

G

G

V

V

I

V

E

E

M

T

T

T

R

H

S

P

V

V

N

N

T

M

A

A

L

L

Q

Q

Q

K

A

F

F

F

V

V

D

E

R

Q

G

G

V

V

W

W

V

I

R
|
R

P

P

F
|
F

S

G

S

K

Y

L

I

I

Y
|
Y

I

L

M

M

P

P

Y

Y

T

I

I

I

S

L

A

P

Q

Q

L

L

S

Q

R

R

L

L

T

T

Q

A

A

A

M

V

active site: Y17 (= Y20), Y144 (= Y148), E201 (= E215), D235 (= D249), A238 (= A252), K264 (= K278), Y386 (= Y402)
binding 7-keto-8-aminopelargonic acid: Y17 (= Y20), W52 (= W55), Y144 (= Y148), A207 (= A221), K264 (= K278), G295 (= G311), T297 (= T313), R379 (= R395), F381 (= F397)
binding pyridoxal-5'-phosphate: G112 (= G115), S113 (= S116), Y144 (= Y148), H145 (= H149), G146 (= G150), E201 (= E215), D235 (= D249), I237 (= I251), A238 (= A252), K264 (= K278), P296 (= P312), T297 (= T313)

6erkA Crystal structure of diaminopelargonic acid aminotransferase from psychrobacter cryohalolentis (see paper)
51% identity, 95% coverage: 4:426/446 of query aligns to 2:414/420 of 6erkA

query
sites
6erkA

T

T

Q

V

I

S

D

T

H

N

Q

D

F

F

D

D

R

Q

Q

Q

H

H

I

L

W

W

H

H

P

P

Y
|
Y

T

A

S

S

M

L

T

P

Q

P

A

T

L

Y

P

P

V

N

Y

I

G

V

V

I

V

D

S

R

A

A

E

E

G

G

C

I

E

Y

L

I

I

V

L

T

D

E

D

D

G

G

R

T

R

R

L

L

I

I

D

D

G

G

T

M

S

S

W

W

A

A

C

S

V

V

H

H

G

G

Y

Y

G

N

H

H

P

P

Y

K

I

L

L

N

E

A

A

A

M

M

Q

I

K

E

Q

Q

L

L

S

G

T

K

L

M

S

A

H

H

V

V

M

M

F

F

G

G

I

L

T

T

H

H

P

Q

S

P

A

A

I

I

A

D

V

L

S

G

K

K

L

L

A

S

M

I

T

V

S

P

D

A

N

G

L

L

T

D

K

A

V

I

F

F

L

Y

A

A

D

D

S
|
S

G
|
G

S
|
S

I

I

A

A

V

V

E

E

V

V

A

A

M

L

K

K

M

M

A

A

L

L

Q

Q

Y

Y

W

Q

Q

I

G

A

R

A

G

K

A

R

P

P

S

S

K

K

Q

C

R

Q

I

F

L

A

T

S

V

T

K

H

H

S

G

G

Y
|
Y

H
x
Y

G
|
G

D

D

T

T

F

W

A

H

A

A

M

M

S

S

V

V

C

C

D

D

P

K

E

Q

G

L

G

P

M

M

H

-

T

-

M

-

F

-

G

-

E

-

A

-

V

-

T

-

Q

-

Q

Q

L

H

F

F

A

V

P

A

A

A

P

P

K

P

T

M

P

G

F

F

G

E

E

R

T

D

L

L

I

T

A

Q

D

S

D

E

L

R

E

E

A

A

M

L

E

T

A

E

L

F

N

V

A

K

H

N

H

S

Q

D

T

K

I

L

A

A

A

G

V

F

I

I

E
|
E

P

P

I

I

M

I

Q

Q

G

G

A

A

G

G

A

G

M

M

H

R

F

F

Y

Y

S

S

A

P

D

Q

Y

Y

L

L

K

Q

G

L

L

L

R

R

A

K

L

L

C

C

D

D

R

E

Y

Y

K

D

V

V

L

L

I

I

L

A

D
|
D

E

E

I
|
I

A
|
A

T

T

G

G

F

F

G

G

R

R

T

S

G

G

K

K

L

L

F

F

A

A

Y

C

Q

E

H

H

A

A

G

A

I

I

E

S

A

P

D

D

I

I

L

M

C

T

L

I

G

G

K
|
K

A

A

L

L

T

T

G

G

Y

Y

I

M

S

T

L

F

A

A

T

T

L

L

C

S

S

T

D

R

E

E

V

I

A

A

L

D

G

T

I

I

S

S

D

Q

S

S

P

D

S

Y

G

P

V

A

F

L

M

M

H

H

G

G

P
|
P

T
|
T

F

F

M

M

G

G

N

N

P

P

L

L

A

A

C

C

A

A

A

V

A

A

S

C

A

A

S

S

L

I

D

D

L

L

I

I

N

V

Q

S

H

Y

Q

D

W

I

P

E

E

A

Q

R

V

T

A

E

A

N

I

M

E

Q

Q

A

Q

I

M

M

K

N

Q

E

E

Q

L

L

A

A

T

P

A

A

S

V

A

S

I

L

E

E

G

G

V

V

K

K

A

E

V

V

R

R

C

C

L

L

G

G

A

A

V

V

G

A

V

V

I

I

E

E

M

L

T

N

R

E

S

A

V

V

N

D

T

M

A

P

A

I

L

F

Q

Q

Q

T

A

L

F

L

V

I

D

N

R

N

G

G

V

I

W

W

V

V

R

R

P

P

F

F

S

G

S

K

Y

L

I

V

Y

Y

I

I

M

M

P

P

Y

Y

T

V

I

I

S

T

A

D

Q

D

Q

E

L

L

S

T

R

T

L

L

T

C

Q

Q

A

A

M

L

L

L

E

K

V

V

A

V

A

S

active site: Y18 (= Y20), Y146 (= Y148), D237 (= D249), K266 (= K278)
binding pyridoxal-5'-phosphate: S112 (= S114), G113 (= G115), S114 (= S116), Y146 (= Y148), Y147 (≠ H149), G148 (= G150), E203 (= E215), D237 (= D249), I239 (= I251), A240 (= A252), K266 (= K278), P300 (= P312), T301 (= T313)

4cxqA Mycobaterium tuberculosis transaminase bioa complexed with substrate kapa (see paper)
49% identity, 94% coverage: 12:430/446 of query aligns to 10:427/427 of 4cxqA

query
sites
4cxqA

D

D

R

G

Q

A

H

H

I

L

W

W

H

H

P

P

Y
|
Y

T

S

S

S

M

I

T

G

Q

R

A

E

L

V

P

S

V

P

Y

V

G

V

V

A

V

V

S

A

A

A

E

H

G

G

C

A

E

W

L

L

-

T

I

L

L

I

D

R

D

D

G

G

R

Q

-

P

-

I

R

E

L

V

I

L

D

D

G

A

T

M

S

S

W
|
W

A

T

C

A

V

I

H

H

G

G

Y

H

G

G

H

H

P

P

Y

A

I

L

L

D

E

Q

A

A

M

L

Q

T

K

T

Q

Q

L

L

S

R

T

V

L

M

S

N

H

H

V

V

M

M

F

F

G

G

I

L

T

T

H

H

P

E

S

P

A

A

I

A

A

R

V

L

S

A

K

K

K

L

L

L

L

V

A

D

M

I

T

T

S

P

D

A

N

G

L

L

T

D

K

T

V

V

F

F

L

F

A

S

D

D

S
|
S

G
|
G

S
|
S

I

V

A

S

V

V

E

E

V

V

A

A

M

A

K

K

M

M

A

A

L

L

Q

Q

Y

Y

W

W

Q

R

G

G

R

R

G

G

A

L

P

P

S

G

K

K

Q

R

R

R

I

L

L

M

T

T

V

W

K

R

H

G

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

L

A

A

M

M

S

S

V

I

C

C

D

D

P

P

E

H

G

G

M

M

H

H

T

S

M

L

F

W

G

T

E

D

A

V

V

L

T

A

Q

A

Q

Q

L

V

F

F

A

A

P

P

A

Q

P

V

K

P

T

R

P

D

F

Y

G

D

E

P

T

A

L

Y

I

S

A

A

D

-

L

-

E

-

A

A

M

F

E

E

A

A

L

Q

L

L

N

A

A

Q

H

H

H

A

Q

G

T

E

I

L

A

A

V

V

I

V

E
|
E

P

P

I

V

M

V

Q

Q

G

G

A
|
A

G

G

A

G

M

M

H

R

F

F

Y

H

S

D

A

P

D

R

Y

Y

L

L

K

H

G

D

L

L

R

R

A

D

L

I

C

C

D

R

R

R

Y

Y

K

E

V

V

L

L

I

I

L

F

D
|
D

E

E

I
|
I

A
|
A

T

T

G

G

F

F

G

G

R

R

T

T

G

G

K

A

L

L

F

F

A

A

Y

A

Q

D

H

H

A

A

G

G

I

V

E

S

A

P

D

D

I

I

L

M

C

C

L

V

G

G

K
|
K

A

A

L

L

T

T

G

G

Y

Y

I

L

S

S

L

L

A

A

T

T

L

L

C

C

S

T

D

A

E

D

V

V

A

A

L

H

G

T

I

I

S

S

D

A

S

G

P

A

S

A

G

G

V

A

F

L

M

M

H

H

G
|
G

P
|
P

T
|
T

F

F

M

M

G

A

N

N

P

P

L

L

A

A

C

C

A

A

A

V

A

S

S

V

A

A

S

S

L

V

D

E

L

L

I

L

N

L

Q

G

H

Q

Q

D

W

W

P

R

E

T

Q

R

V

I

A

T

A

E

I

L

E

A

Q

A

Q

G

M

L

K

T

Q

A

E

G

L

L

A

D

T

T

A

A

S

R

A

A

I

L

E

P

G

A

V

V

K

T

A

D

V

V

R

R

C

V

L

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

M

C

T

D

R

R

S

P

V

V

N

D

T

L

A

A

A

V

L

A

Q

T

Q

P

A

A

F

A

V

L

D

D

R

R

G

G

V

V

W

W

V

L

R
|
R

P

P

F
|
F

S

R

S

N

Y

L

I

V

Y
|
Y

I

A

M

M

P

P

Y

Y

T

I

I

C

S

T

A

P

Q

A

Q

E

L

I

S

T

R

Q

L

I

T

T

Q

S

A

A

M

M

L

V

E

E

V

V

A

A

A

R

I

L

A

V

G

G

A

S

active site: Y18 (= Y20), Y149 (= Y148), E212 (= E215), D246 (= D249), A249 (= A252), K275 (= K278), Y399 (= Y402)
binding 7-keto-8-aminopelargonic acid: Y18 (= Y20), W56 (= W55), W57 (= W56), Y149 (= Y148), A218 (= A221), K275 (= K278), G308 (= G311), T310 (= T313), R392 (= R395), F394 (= F397)
binding pyridoxal-5'-phosphate: W57 (= W56), S115 (= S114), G116 (= G115), S117 (= S116), Y149 (= Y148), H150 (= H149), G151 (= G150), E212 (= E215), D246 (= D249), I248 (= I251), A249 (= A252), K275 (= K278), P309 (= P312), T310 (= T313)

4w1vA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a thiazole inhibitor (see paper)
49% identity, 94% coverage: 12:430/446 of query aligns to 10:425/425 of 4w1vA

query
sites
4w1vA

D

D

R

G

Q

A

H

H

I

L

W

W

H

H

P
|
P

Y
|
Y

T

S

S

S

M

I

T

G

Q

R

A

S

L

-

P

P

V

V

Y

V

G

A

V

V

V

A

S

A

A

H

E

G

G

A

C

W

E

L

L

T

I

L

L

I

D

R

D

D

G

G

R

Q

-

P

-

I

R

E

L

V

I

L

D

D

G

A

T

M

S

S

W
|
W

W

W

A

T

C

A

V

I

H

H

G

G

Y

H

G

G

H

H

P

P

Y

A

I

L

L

D

E

Q

A

A

M

L

Q

T

K

T

Q

Q

L

L

S

R

T

V

L

M

S

N

H

H

V

V

M
|
M

F
|
F

G
|
G

G

G

I

L

T

T

H

H

P

E

S

P

A

A

I

A

A

R

V

L

S

A

K

K

K

L

L

L

L

V

A

D

M

I

T

T

S

P

D

A

N

G

L

L

T

D

K

T

V

V

F

F

L

F

A

S

D

D

S
|
S

G
|
G

S
|
S

I

V

A

S

V

V

E

E

V

V

A

A

M

A

K

K

M

M

A

A

L

L

Q

Q

Y

Y

W

W

Q

R

G

G

R

R

G

G

A

L

P

P

S

G

K

K

Q

R

R

R

I

L

L

M

T

T

V

W

K

R

H

G

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

L

A

A

M

M

S

S

V

I

C

C

D

D

P

P

E

H

G

G

M

M

H

H

T

S

M

L

F

W

G

T

E

D

A

V

V

L

T

A

Q

A

Q

Q

L

V

F

F

A

A

P

P

A

Q

P

V

K

P

T

R

P

D

F

Y

G

D

E

P

T

A

L

Y

I

S

A

A

D

-

L

-

E

-

A

A

M

F

E

E

A

A

L

Q

L

L

N

A

A

Q

H

H

H

A

Q

G

T

E

I

L

A

A

V

V

I

V

E
|
E

P

P

I

V

M

V

Q

Q

G

G

A

A

G

G

A

G

M

M

H

R

F

F

Y

H

S

D

A

P

D

R

Y

Y

L

L

K

H

G

D

L

L

R

R

A

D

L

I

C

C

D

R

R

R

Y

Y

K

E

V

V

L

L

I

I

L

F

D
|
D

E

E

I
|
I

A
|
A

T

T

G

G

F

F

G

G

R

R

T

T

G

G

K

A

L

L

F

F

A

A

Y

A

Q

D

H

H

A

A

G

G

I

V

E

S

A

P

D

D

I

I

L

M

C

C

L

V

G

G

K
|
K

A

A

L

L

T

T

G

G

Y

Y

I

L

S

S

L

L

A

A

T

T

L

L

C

C

S

T

D

A

E

D

V

V

A

A

L

H

G

T

I

I

S

S

D

A

S

G

P

A

S

A

G

G

V

A

F

L

M

M

H

H

G
|
G

P
|
P

T
|
T

F

F

M

M

G

A

N

N

P

P

L

L

A

A

C

C

A

A

A

V

A

S

S

V

A

A

S

S

L

V

D

E

L

L

I

L

N

L

Q

G

H

Q

Q

D

W

W

P

R

E

T

Q

R

V

I

A

T

A

E

I

L

E

A

Q

A

Q

G

M

L

K

T

Q

A

E

G

L

L

A

D

T

T

A

A

S

R

A

A

I

L

E

P

G

A

V

V

K

T

A

D

V

V

R

R

C

V

L

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

M

C

T

D

R

R

S

P

V

V

N

D

T

L

A

A

A

V

L

A

Q

T

Q

P

A

A

F

A

V

L

D

D

R

R

G

G

V

V

W

W

V

L

R
|
R

P

P

F
|
F

S

R

S

N

Y

L

I

V

Y
|
Y

I

A

M

M

P

P

Y

Y

T

I

I

C

S

T

A

P

Q

A

Q

E

L

I

S

T

R

Q

L

I

T

T

Q

S

A

A

M

M

L

V

E

E

V

V

A

A

A

R

I

L

A

V

G

G

A

S

active site: Y18 (= Y20), Y147 (= Y148), E210 (= E215), D244 (= D249), A247 (= A252), K273 (= K278), Y397 (= Y402)
binding dimethyl (2R)-5-(3-fluorophenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide: P17 (= P19), Y18 (= Y20), W54 (= W55), M81 (= M82), F82 (= F83), G83 (= G84), Y147 (= Y148), K273 (= K278), G306 (= G311), P307 (= P312), T308 (= T313), R390 (= R395), F392 (= F397)
binding pyridoxal-5'-phosphate: S113 (= S114), G114 (= G115), S115 (= S116), Y147 (= Y148), H148 (= H149), G149 (= G150), E210 (= E215), D244 (= D249), I246 (= I251), A247 (= A252), K273 (= K278), P307 (= P312), T308 (= T313)

4cxrA Mycobaterium tuberculosis transaminase bioa complexed with 1-(1,3- benzothiazol-2-yl)methanamine (see paper)
49% identity, 94% coverage: 12:430/446 of query aligns to 10:425/425 of 4cxrA

query
sites
4cxrA

D

D

R

G

Q

A

H

H

I

L

W

W

H

H

P

P

Y
|
Y

T

S

S

S

M

I

T

G

Q

R

A

S

L

-

P

P

V

V

Y

V

G

A

V

V

V

A

S

A

A

H

E

G

G

A

C

W

E

L

L

T

I

L

L

I

D

R

D

D

G

G

R

Q

-

P

-

I

R

E

L

V

I

L

D

D

G

A

T

M

S

S

W
|
W

A

T

C

A

V

I

H

H

G

G

Y

H

G

G

H

H

P

P

Y

A

I

L

L

D

E

Q

A

A

M

L

Q

T

K

T

Q

Q

L

L

S

R

T

V

L

M

S

N

H

H

V

V

M

M

F

F

G

G

I

L

T

T

H

H

P

E

S

P

A

A

I

A

A

R

V

L

S

A

K

K

K

L

L

L

L

V

A

D

M

I

T

T

S

P

D

A

N

G

L

L

T

D

K

T

V

V

F

F

L

F

A

S

D

D

S
|
S

G
|
G

S
|
S

I

V

A

S

V

V

E

E

V

V

A

A

M

A

K

K

M

M

A

A

L

L

Q

Q

Y

Y

W

W

Q

R

G

G

R

R

G

G

A

L

P

P

S

G

K

K

Q

R

R

R

I

L

L

M

T

T

V

W

K

R

H

G

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

L

A

A

M

M

S

S

V

I

C

C

D

D

P

P

E

H

G

G

M

M

H

H

T

S

M

L

F

W

G

T

E

D

A

V

V

L

T

A

Q

A

Q

Q

L

V

F

F

A

A

P

P

A

Q

P

V

K

P

T

R

P

D

F

Y

G

D

E

P

T

A

L

Y

I

S

A

A

D

-

L

-

E

-

A

A

M

F

E

E

A

A

L

Q

L

L

N

A

A

Q

H

H

H

A

Q

G

T

E

I

L

A

A

V

V

I

V

E
|
E

P

P

I

V

M

V

Q

Q

G

G

A
|
A

G

G

A

G

M

M

H

R

F

F

Y

H

S

D

A

P

D

R

Y

Y

L

L

K

H

G

D

L

L

R

R

A

D

L

I

C

C

D

R

R

R

Y

Y

K

E

V

V

L

L

I

I

L

F

D
|
D

E

E

I
|
I

A
|
A

T

T

G

G

F

F

G

G

R

R

T

T

G

G

K

A

L

L

F

F

A

A

Y

A

Q

D

H

H

A

A

G

G

I

V

E

S

A

P

D

D

I

I

L

M

C

C

L

V

G

G

K
|
K

A

A

L

L

T

T

G

G

Y

Y

I

L

S

S

L

L

A

A

T

T

L

L

C

C

S

T

D

A

E

D

V

V

A

A

L

H

G

T

I

I

S

S

D

A

S

G

P

A

S

A

G

G

V

A

F

L

M

M

H

H

G

G

P
|
P

T
|
T

F

F

M

M

G

A

N

N

P

P

L

L

A

A

C

C

A

A

A

V

A

S

S

V

A

A

S

S

L

V

D

E

L

L

I

L

N

L

Q

G

H

Q

Q

D

W

W

P

R

E

T

Q

R

V

I

A

T

A

E

I

L

E

A

Q

A

Q

G

M

L

K

T

Q

A

E

G

L

L

A

D

T

T

A

A

S

R

A

A

I

L

E

P

G

A

V

V

K

T

A

D

V

V

R

R

C

V

L

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

M

C

T

D

R

R

S

P

V

V

N

D

T

L

A

A

A

V

L

A

Q

T

Q

P

A

A

F

A

V

L

D

D

R

R

G

G

V

V

W

W

V

L

R

R

P

P

F
|
F

S

R

S

N

Y

L

I

V

Y
|
Y

I

A

M

M

P

P

Y

Y

T

I

I

C

S

T

A

P

Q

A

Q

E

L

I

S

T

R

Q

L

I

T

T

Q

S

A

A

M

M

L

V

E

E

V

V

A

A

A

R

I

L

A

V

G

G

A

S

active site: Y18 (= Y20), Y147 (= Y148), E210 (= E215), D244 (= D249), A247 (= A252), K273 (= K278), Y397 (= Y402)
binding 1-(1,3-benzothiazol-2-yl)methanamine: Y18 (= Y20), W54 (= W55), W55 (= W56), Y147 (= Y148), A216 (= A221), F392 (= F397), Y397 (= Y402)
binding pyridoxal-5'-phosphate: S113 (= S114), G114 (= G115), S115 (= S116), Y147 (= Y148), H148 (= H149), G149 (= G150), E210 (= E215), D244 (= D249), I246 (= I251), A247 (= A252), K273 (= K278), P307 (= P312), T308 (= T313)

P9WQ81 Adenosylmethionine-8-amino-7-oxononanoate aminotransferase; 7,8-diamino-pelargonic acid aminotransferase; DAPA AT; DAPA aminotransferase; 7,8-diaminononanoate synthase; DANS; 7,8-diaminopelargonic acid synthase; DAPAS; Diaminopelargonic acid synthase; EC 2.6.1.62 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
49% identity, 94% coverage: 12:430/446 of query aligns to 17:435/437 of P9WQ81

query
sites
P9WQ81

D

D

R

G

Q

A

H

H

I

L

W

W

H

H

P

P

Y
|
Y

T

S

S

S

M

I

-

G

T

R

Q

E

A

A

L

V

P

S

V

P

Y

V

G

V

V

A

V

V

S

A

A

A

E

H

G

G

C

A

E

W

L

L

-

T

I

L

L

I

D

R

D

D

G

G

R

Q

-

P

-

I

R

E

L

V

I

L

D

D

G

A

T

M

S

S

W
|
W

W

W

A

T

C

A

V

I

H

H

G

G

Y

H

G

G

H

H

P

P

Y

A

I

L

L

D

E

Q

A

A

M

L

Q

T

K

T

Q

Q

L

L

S

R

T

V

L

M

S

N

H

H

V

V