SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_058929066.1 NCBI__GCF_001484605.1:WP_058929066.1 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)

4cxqA Mycobaterium tuberculosis transaminase bioa complexed with substrate kapa (see paper)
53% identity, 95% coverage: 3:432/451 of query aligns to 1:418/427 of 4cxqA

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active site: Y18 (= Y20), Y149 (= Y157), E212 (= E226), D246 (= D260), A249 (= A263), K275 (= K289), Y399 (= Y413)
binding 7-keto-8-aminopelargonic acid: W56 (= W59), Y149 (= Y157), G308 (= G322), T310 (= T324), R392 (= R406)
binding pyridoxal-5'-phosphate: G116 (= G124), S117 (= S125), Y149 (= Y157), H150 (= H158), G151 (= G159), E212 (= E226), D246 (= D260), I248 (= I262), K275 (= K289), P309 (= P323), T310 (= T324)

4w1vA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a thiazole inhibitor (see paper)
54% identity, 95% coverage: 3:432/451 of query aligns to 1:416/425 of 4w1vA

query
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4w1vA

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active site: Y18 (= Y20), Y147 (= Y157), E210 (= E226), D244 (= D260), A247 (= A263), K273 (= K289), Y397 (= Y413)
binding dimethyl (2R)-5-(3-fluorophenyl)-1H-pyrrolo[1,2-c][1,3]thiazole-6,7-dicarboxylate 2-oxide: P17 (= P19), Y18 (= Y20), W54 (= W59), M81 (= M86), G83 (= G88), Y147 (= Y157), G306 (= G322), P307 (= P323), T308 (= T324), F392 (= F408)
binding pyridoxal-5'-phosphate: G114 (= G124), S115 (= S125), Y147 (= Y157), H148 (= H158), E210 (= E226), D244 (= D260), I246 (= I262), K273 (= K289)

4cxrA Mycobaterium tuberculosis transaminase bioa complexed with 1-(1,3- benzothiazol-2-yl)methanamine (see paper)
54% identity, 95% coverage: 3:432/451 of query aligns to 1:416/425 of 4cxrA

query
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4cxrA

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T

A

A

G

G

L

L

A

D

P

T

A

A

R

R

E

A

L

L

D

P

A

A

V

V

R

T

D

D

V

V

R

R

T

V

I

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

L

C

R

D

D

R

S

P

V

V

D

D

V

L

T

A

A

V

V

A

T

T

A

P

A

A

A

A

I

L

S

D

H

R

G

G

V

V

W

W

V

L

R

R

P

P

F

F

R

R

N

N

L

L

V

V

Y
|
Y

T

A

M

M

P

P

P

P

Y

Y

V

I

C

C

T

T

A

P

A

A

D

E

V

I

E

T

Q

Q

I

I

T

T

A

S

G

A

M

M

active site: Y18 (= Y20), Y147 (= Y157), E210 (= E226), D244 (= D260), A247 (= A263), K273 (= K289), Y397 (= Y413)
binding 1-(1,3-benzothiazol-2-yl)methanamine: Y18 (= Y20), W54 (= W59), W55 (= W60), A216 (= A232)
binding pyridoxal-5'-phosphate: G114 (= G124), S115 (= S125), Y147 (= Y157), H148 (= H158), E210 (= E226), D244 (= D260), I246 (= I262), K273 (= K289), P307 (= P323), T308 (= T324)

5te2A Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a mechanism-based inhibitor (see paper)
53% identity, 95% coverage: 3:432/451 of query aligns to 1:419/428 of 5te2A

query
sites
5te2A

L

L

I

T

Q

P

R

E

N

Q

L

I

I

I

Q

A

R

V

D

D

R

G

A

A

S

H

L

L

W

W

H

H

P

P

Y
|
Y

A

S

P

S

A

I

S

G

G

R

D

E

L

A

P

V

L

S

W

P

E

V

V

V

E

A

A

V

A

A

-

A

D

H

G

G

V

A

R

W

L

L

R

T

L

L

R

I

D

R

D

D

D

-

G

G

G

Q

R

P

H

I

E

E

V

V

L

L

D

D

A

A

M

M

S

S

S

S

W
|
W

W

W

S

T

V

A

I

I

H

H

G

G

Y

H

R

G

N

H

P

P

V

A

L

L

D

D

A

Q

A

A

A

L

K

T

R

T

Q

Q

I

L

D

R

A

V

F

M

S

N

H

H

V

V

M

M

F

F

G

G

G

G

L

L

T

T

H

H

G

E

P

P

A

A

V

A

E

R

L

L

A

A

E

K

R

L

L

L

L

V

A

D

L

I

V

T

P

P

S

A

T

G

E

-

G

-

R

-

P

-

R

-

L

L

E

D

R

T

V

V

F

F

L

F

A

S

D

D

S

S

G
|
G

S
|
S

I

V

S

S

V

V

E

E

V

V

A

A

L

A

K

K

L

M

A

A

V

L

Q

Q

F

Y

Q

W

T

R

A

G

A

R

G

G

R

L

P

P

K

G

R

K

Q

R

R

R

F

L

L

M

S

T

L

W

R

R

G

G

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

L

A

A

M

M

G

S

V

I

C

C

D

D

P

P

V

H

D

G

G

G

M

M

H

H

S

S

A

L

F

W

P

T

G

D

M

V

L

L

A

A

G

A

N

Q

V

V

F

F

A

A

P

P

R

Q

P

V

P

P

A

R

A

D

A

Y

T

D

A

P

T

A

A

-

E

-

D

-

I

-

G

-

Q

-

W

Y

R

S

A

A

E

A

V

F

E

E

E

A

L

Q

A

L

A

A

R

Q

H

H

S

A

G

G

G

E

L

L

A

A

A

A

I

V

I

V

A

V

E
|
E

P

P

V

V

L

V

Q

Q

G

G

A

A

G

G

G

G

M

M

F

R

A

F

Y

H

P

D

A

P

E

R

C

Y

V

L

R

H

I

D

L

L

R

R

E

D

I

I

A

C

D

R

G

R

H

Y

G

E

L

V

L

L

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

E

A

L

L

F

F

A

A

A

A

G

D

H

H

A

A

G

G

V

V

V

S

P

P

D

D

I

I

M

M

C

C

V

V

G

G

K
|
K

A

A

L

L

T

T

G

G

G

G

Y

Y

L

L

T

S

L

L

A

A

A

A

M

T

I

L

C

C

T

T

G

A

A

D

V

V

A

A

E

H

T

T

V

I

S

S

R

A

G

G

A

A

A

A

G

G

A

A

L

L

L

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

V

V

A

S

N

V

A

A

S

S

L

V

G

E

I

L

I

L

D

L

G

G

G

Q

A

D

W

W

R

R

A

T

D

R

V

I

A

T

R

E

I

L

G

A

A

A

G

G

L

L

Q

T

A

A

G

G

L

L

A

D

P

T

A

A

R

R

E

A

L

L

D

P

A

A

V

V

R

T

D

D

V

V

R

R

T

V

I

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

L

C

R

D

D

R

S

P

V

V

D

D

V

L

T

A

A

V

V

A

T

T

A

P

A

A

A

A

I

L

S

D

H

R

G

G

V

V

W

W

V

L

R

R

P

P

F

F

R

R

N

N

L

L

V

V

Y
|
Y

T

A

M

M

P

P

P

P

Y

Y

V

I

C

C

T

T

A

P

A

A

D

E

V

I

E

T

Q

Q

I

I

T

T

A

S

G

A

M

M

active site: Y18 (= Y20), Y150 (= Y157), E213 (= E226), D247 (= D260), A250 (= A263), K276 (= K289), Y400 (= Y413)
binding [5-hydroxy-4-({[6-(3-hydroxypropyl)-4-oxo-1,4-dihydropyridin-3-yl]amino}methyl)-6-methylpyridin-3-yl]methyl dihydrogen phosphate: Y18 (= Y20), W57 (= W59), G117 (= G124), S118 (= S125), Y150 (= Y157), H151 (= H158), G152 (= G159), D247 (= D260), I249 (= I262), K276 (= K289), G309 (= G322), P310 (= P323), T311 (= T324)

4xjoA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with an inhibitor optimized from hts lead (see paper)
53% identity, 95% coverage: 3:432/451 of query aligns to 1:419/428 of 4xjoA

query
sites
4xjoA

L

L

I

T

Q

P

R

E

N

Q

L

I

I

I

Q

A

R

V

D

D

R

G

A

A

S

H

L

L

W

W

H

H

P
|
P

Y
|
Y

A

S

P

S

A

I

S

G

G

R

D

E

L

A

P

V

L

S

W

P

E

V

V

V

E

A

A

V

A

A

-

A

D

H

G

G

V

A

R

W

L

L

R

T

L

L

R

I

D

R

D

D

D

-

G

G

G

Q

R

P

H

I

E

E

V

V

L

L

D

D

A

A

M

M

S

S

S

S

W
|
W

W

W

S

T

V

A

I

I

H

H

G

G

Y

H

R

G

N

H

P

P

V

A

L

L

D

D

A

Q

A

A

A

L

K

T

R

T

Q

Q

I

L

D

R

A

V

F

M

S

N

H

H

V

V

M
|
M

F

F

G
|
G

G

G

L

L

T

T

H

H

G

E

P

P

A

A

V

A

E

R

L

L

A

A

E

K

R

L

L

L

L

V

A

D

L

I

V

T

P

P

S

A

T

G

E

-

G

-

R

-

P

-

R

-

L

L

E

D

R

T

V

V

F

F

L

F

A

S

D

D

S

S

G
|
G

S
|
S

I

V

S

S

V

V

E

E

V

V

A

A

L

A

K

K

L

M

A

A

V

L

Q

Q

F

Y

Q

W

T

R

A

G

A

R

G

G

R

L

P

P

K

G

R

K

Q

R

R

R

F

L

L

M

S

T

L

W

R

R

G

G

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

L

A

A

M

M

G

S

V

I

C

C

D

D

P

P

V

H

D
x
G

G
|
G

M

M

H

H

S

S

A

L

F

W

P

T

G

D

M

V

L

L

A

A

G

A

N

Q

V

V

F

F

A

A

P

P

R

Q

P

V

P

P

A

R

A

D

A

Y

T

D

A

P

T

A

A

-

E

-

D

-

I

-

G

-

Q

-

W

Y

R

S

A

A

E

A

V

F

E

E

E

A

L

Q

A

L

A

A

R

Q

H

H

S

A

G

G

G

E

L

L

A

A

A

A

I

V

I

V

A

V

E
|
E

P

P

V

V

L

V

Q

Q

G

G

A
|
A

G

G

G

G

M

M

F

R

A

F

Y

H

P

D

A

P

E

R

C

Y

V

L

R

H

I

D

L

L

R

R

E

D

I

I

A

C

D

R

G

R

H

Y

G

E

L

V

L

L

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

E

A

L

L

F

F

A

A

A

A

G

D

H

H

A

A

G

G

V

V

V

S

P

P

D

D

I

I

M

M

C

C

V

V

G

G

K
|
K

A

A

L

L

T

T

G

G

G

G

Y

Y

L

L

T

S

L

L

A

A

A

A

M

T

I

L

C

C

T

T

G

A

A

D

V

V

A

A

E

H

T

T

V

I

S

S

R

A

G

G

A

A

A

A

G

G

A

A

L

L

L

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

V

V

A

S

N

V

A

A

S

S

L

V

G

E

I

L

I

L

D

L

G

G

G

Q

A

D

W

W

R

R

A

T

D

R

V

I

A

T

R

E

I

L

G

A

A

A

G

G

L

L

Q

T

A

A

G

G

L

L

A

D

P

T

A

A

R

R

E

A

L

L

D

P

A

A

V

V

R

T

D

D

V

V

R

R

T

V

I

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

L

C

R

D

D

R

S

P

V

V

D

D

V

L

T

A

A

V

V

A

T

T

A

P

A

A

A

A

I

L

S

D

H

R

G

G

V

V

W

W

V

L

R

R

P

P

F

F

R

R

N

N

L

L

V

V

Y
|
Y

T

A

M

M

P

P

P

P

Y

Y

V

I

C

C

T

T

A

P

A

A

D

E

V

I

E

T

Q

Q

I

I

T

T

A

S

G

A

M

M

active site: Y18 (= Y20), Y150 (= Y157), E213 (= E226), D247 (= D260), A250 (= A263), K276 (= K289), Y400 (= Y413)
binding 5-[4-(3-chlorobenzoyl)piperazin-1-yl]-1H-inden-1-one: P17 (= P19), Y18 (= Y20), W57 (= W59), M84 (= M86), G86 (= G88), Y150 (= Y157), G165 (≠ D172), G166 (= G173), A219 (= A232), P310 (= P323), T311 (= T324)
binding pyridoxal-5'-phosphate: G117 (= G124), S118 (= S125), Y150 (= Y157), H151 (= H158), G152 (= G159), E213 (= E226), D247 (= D260), I249 (= I262), K276 (= K289), P310 (= P323), T311 (= T324)

4xewA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a hts lead compound (see paper)
53% identity, 95% coverage: 3:432/451 of query aligns to 1:419/428 of 4xewA

query
sites
4xewA

L

L

I

T

Q

P

R

E

N

Q

L

I

I

I

Q

A

R

V

D

D

R

G

A

A

S

H

L

L

W

W

H

H

P
|
P

Y
|
Y

A

S

P

S

A

I

S

G

G

R

D

E

L

A

P

V

L

S

W

P

E

V

V

V

E

A

A

V

A

A

-

A

D

H

G

G

V

A

R

W

L

L

R

T

L

L

R

I

D

R

D

D

D

-

G

G

G

Q

R

P

H

I

E

E

V

V

L

L

D

D

A

A

M

M

S

S

S

S

W
|
W

W

W

S

T

V

A

I

I

H

H

G

G

Y

H

R

G

N

H

P

P

V

A

L

L

D

D

A

Q

A

A

A

L

K

T

R

T

Q

Q

I

L

D

R

A

V

F

M

S

N

H

H

V

V

M

M

F

F

G

G

G

G

L

L

T

T

H

H

G

E

P

P

A

A

V

A

E

R

L

L

A

A

E

K

R

L

L

L

L

V

A

D

L

I

V

T

P

P

S

A

T

G

E

-

G

-

R

-

P

-

R

-

L

L

E

D

R

T

V

V

F

F

L

F

A

S

D

D

S

S

G
|
G

S
|
S

I

V

S

S

V

V

E

E

V

V

A

A

L

A

K

K

L

M

A

A

V

L

Q

Q

F

Y

Q

W

T

R

A

G

A

R

G

G

R

L

P

P

K

G

R

K

Q

R

R

R

F

L

L

M

S

T

L

W

R

R

G

G

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

L

A

A

M

M

G

S

V

I

C

C

D

D

P

P

V

H

D

G

G

G

M

M

H

H

S

S

A

L

F

W

P

T

G

D

M

V

L

L

A

A

G

A

N

Q

V

V

F

F

A

A

P

P

R

Q

P

V

P

P

A

R

A

D

A

Y

T

D

A

P

T

A

A

-

E

-

D

-

I

-

G

-

Q

-

W

Y

R

S

A

A

E

A

V

F

E

E

E

A

L

Q

A

L

A

A

R

Q

H

H

S

A

G

G

G

E

L

L

A

A

A

A

I

V

I

V

A

V

E
|
E

P

P

V

V

L

V

Q

Q

G

G

A

A

G

G

G

G

M

M

F

R

A

F

Y

H

P

D

A

P

E

R

C

Y

V

L

R

H

I

D

L

L

R

R

E

D

I

I

A

C

D

R

G

R

H

Y

G

E

L

V

L

L

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

E

A

L

L

F

F

A

A

A

A

G

D

H

H

A

A

G

G

V

V

V

S

P

P

D

D

I

I

M

M

C

C

V

V

G

G

K
|
K

A

A

L

L

T

T

G

G

G

G

Y

Y

L

L

T

S

L

L

A

A

A

A

M

T

I

L

C

C

T

T

G

A

A

D

V

V

A

A

E

H

T

T

V

I

S

S

R

A

G

G

A

A

A

A

G

G

A

A

L

L

L

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

V

V

A

S

N

V

A

A

S

S

L

V

G

E

I

L

I

L

D

L

G

G

G

Q

A

D

W

W

R

R

A

T

D

R

V

I

A

T

R

E

I

L

G

A

A

A

G

G

L

L

Q

T

A

A

G

G

L

L

A

D

P

T

A

A

R

R

E

A

L

L

D

P

A

A

V

V

R

T

D

D

V

V

R

R

T

V

I

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

L

C

R

D

D

R

S

P

V

V

D

D

V

L

T

A

A

V

V

A

T

T

A

P

A

A

A

A

I

L

S

D

H

R

G

G

V

V

W

W

V

L

R
|
R

P

P

F
|
F

R

R

N

N

L

L

V

V

Y
|
Y

T

A

M

M

P

P

P

P

Y

Y

V

I

C

C

T

T

A

P

A

A

D

E

V

I

E

T

Q

Q

I

I

T

T

A

S

G

A

M

M

active site: Y18 (= Y20), Y150 (= Y157), E213 (= E226), D247 (= D260), A250 (= A263), K276 (= K289), Y400 (= Y413)
binding 6-(2-fluorophenyl)[1,3]dioxolo[4,5-g]quinolin-8(5H)-one: P17 (= P19), Y18 (= Y20), W57 (= W59), Y150 (= Y157), P310 (= P323), T311 (= T324), R393 (= R406), F395 (= F408)
binding pyridoxal-5'-phosphate: G117 (= G124), S118 (= S125), Y150 (= Y157), H151 (= H158), G152 (= G159), E213 (= E226), D247 (= D260), I249 (= I262), K276 (= K289), P310 (= P323), T311 (= T324)

4wyfA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a dsf fragment hit (see paper)
53% identity, 95% coverage: 3:432/451 of query aligns to 1:419/428 of 4wyfA

query
sites
4wyfA

L

L

I

T

Q

P

R

E

N

Q

L

I

I

I

Q

A

R

V

D

D

R

G

A

A

S

H

L

L

W

W

H

H

P

P

Y
|
Y

A

S

P

S

A

I

S

G

G

R

D

E

L

A

P

V

L

S

W

P

E

V

V

V

E

A

A

V

A

A

-

A

D

H

G

G

V

A

R

W

L

L

R

T

L

L

R

I

D

R

D

D

D

-

G

G

G

Q

R

P

H

I

E

E

V

V

L

L

D

D

A

A

M

M

S

S

S

S

W

W

W

W

S

T

V

A

I

I

H

H

G

G

Y

H

R

G

N

H

P

P

V

A

L

L

D

D

A

Q

A

A

A

L

K

T

R

T

Q

Q

I

L

D

R

A

V

F

M

S

N

H

H

V

V

M
|
M

F

F

G
|
G

G

G

L

L

T

T

H

H

G

E

P

P

A

A

V

A

E

R

L

L

A

A

E

K

R

L

L

L

L

V

A

D

L

I

V

T

P

P

S

A

T

G

E

-

G

-

R

-

P

-

R

-

L

L

E

D

R

T

V

V

F

F

L

F

A

S

D

D

S

S

G
|
G

S
|
S

I

V

S

S

V

V

E

E

V

V

A

A

L

A

K

K

L

M

A

A

V

L

Q

Q

F

Y

Q

W

T

R

A

G

A

R

G

G

R

L

P

P

K

G

R

K

Q

R

R

R

F

L

L

M

S

T

L

W

R

R

G

G

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

L

A

A

M

M

G

S

V

I

C

C

D

D

P

P

V

H

D

G

G

G

M

M

H

H

S

S

A

L

F

W

P

T

G

D

M

V

L

L

A

A

G

A

N

Q

V

V

F

F

A

A

P

P

R

Q

P

V

P

P

A

R

A

D

A

Y

T

D

A

P

T

A

A

-

E

-

D

-

I

-

G

-

Q

-

W

Y

R

S

A

A

E

A

V

F

E

E

E

A

L

Q

A

L

A

A

R

Q

H

H

S

A

G

G

G

E

L

L

A

A

A

A

I

V

I

V

A

V

E
|
E

P

P

V

V

L

V

Q

Q

G

G

A

A

G

G

G

G

M

M

F

R

A

F

Y

H

P

D

A

P

E

R

C

Y

V

L

R

H

I

D

L

L

R

R

E

D

I

I

A

C

D

R

G

R

H

Y

G

E

L

V

L

L

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

E

A

L

L

F

F

A

A

A

A

G

D

H

H

A

A

G

G

V

V

V

S

P

P

D

D

I

I

M

M

C

C

V

V

G

G

K
|
K

A

A

L

L

T

T

G

G

G

G

Y

Y

L

L

T

S

L

L

A

A

A

A

M

T

I

L

C

C

T

T

G

A

A

D

V

V

A

A

E

H

T

T

V

I

S

S

R

A

G

G

A

A

A

A

G

G

A

A

L

L

L

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

V

V

A

S

N

V

A

A

S

S

L

V

G

E

I

L

I

L

D

L

G

G

G

Q

A

D

W

W

R

R

A

T

D

R

V

I

A

T

R

E

I

L

G

A

A

A

G

G

L

L

Q

T

A

A

G

G

L

L

A

D

P

T

A

A

R

R

E

A

L

L

D

P

A

A

V

V

R

T

D

D

V

V

R

R

T

V

I

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

L

C

R

D

D

R

S

P

V

V

D

D

V

L

T

A

A

V

V

A

T

T

A

P

A

A

A

A

I

L

S

D

H

R

G

G

V

V

W

W

V

L

R

R

P

P

F

F

R

R

N

N

L

L

V

V

Y
|
Y

T

A

M

M

P

P

P

P

Y

Y

V

I

C

C

T

T

A

P

A

A

D

E

V

I

E

T

Q

Q

I

I

T

T

A

S

G

A

M

M

active site: Y18 (= Y20), Y150 (= Y157), E213 (= E226), D247 (= D260), A250 (= A263), K276 (= K289), Y400 (= Y413)
binding N-(1-oxo-1H-inden-5-yl)acetamide: M84 (= M86), G86 (= G88), G309 (= G322), P310 (= P323), T311 (= T324)
binding pyridoxal-5'-phosphate: G117 (= G124), S118 (= S125), Y150 (= Y157), H151 (= H158), G152 (= G159), E213 (= E226), D247 (= D260), I249 (= I262), K276 (= K289), P310 (= P323), T311 (= T324)

4wycA Crystal structure of 7,8-diaminopelargonic acid synthase (bioa) from mycobacterium tuberculosis, complexed with a thiazole benzamide inhibitor (see paper)
53% identity, 95% coverage: 3:432/451 of query aligns to 1:419/428 of 4wycA

query
sites
4wycA

L

L

I

T

Q

P

R

E

N

Q

L

I

I

I

Q

A

R

V

D

D

R

G

A

A

S

H

L

L

W

W

H

H

P
|
P

Y
|
Y

A

S

P

S

A

I

S

G

G

R

D

E

L

A

P

V

L

S

W

P

E

V

V

V

E

A

A

V

A

A

-

A

D

H

G

G

V

A

R

W

L

L

R

T

L

L

R

I

D

R

D

D

D

-

G

G

G

Q

R

P

H

I

E

E

V

V

L

L

D

D

A

A

M

M

S

S

S

S

W
|
W

W

W

S

T

V

A

I

I

H

H

G

G

Y

H

R

G

N

H

P

P

V

A

L

L

D

D

A

Q

A

A

A

L

K

T

R

T

Q

Q

I

L

D

R

A

V

F

M

S

N

H

H

V

V

M
|
M

F

F

G
|
G

G

G

L

L

T

T

H

H

G

E

P

P

A

A

V

A

E

R

L

L

A

A

E

K

R

L

L

L

L

V

A

D

L

I

V

T

P

P

S

A

T

G

E

-

G

-

R

-

P

-

R

-

L

L

E

D

R

T

V

V

F

F

L

F

A

S

D

D

S

S

G
|
G

S
|
S

I

V

S

S

V

V

E

E

V

V

A

A

L

A

K

K

L

M

A

A

V

L

Q

Q

F

Y

Q

W

T

R

A

G

A

R

G

G

R

L

P

P

K

G

R

K

Q

R

R

R

F

L

L

M

S

T

L

W

R

R

G

G

G

G

Y
|
Y

H
|
H

G
|
G

D

D

T

T

F

F

A

L

A

A

M

M

G

S

V

I

C

C

D

D

P

P

V

H

D

G

G

G

M

M

H

H

S

S

A

L

F

W

P

T

G

D

M

V

L

L

A

A

G

A

N

Q

V

V

F

F

A

A

P

P

R

Q

P

V

P

P

A

R

A

D

A

Y

T

D

A

P

T

A

A

-

E

-

D

-

I

-

G

-

Q

-

W

Y

R

S

A

A

E

A

V

F

E

E

E

A

L

Q

A

L

A

A

R

Q

H

H

S

A

G

G

G

E

L

L

A

A

A

A

I

V

I

V

A

V

E
|
E

P

P

V

V

L

V

Q

Q

G

G

A

A

G

G

G

G

M

M

F

R

A

F

Y

H

P

D

A

P

E

R

C

Y

V

L

R

H

I

D

L

L

R

R

E

D

I

I

A

C

D

R

G

R

H

Y

G

E

L

V

L

L

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

E

A

L

L

F

F

A

A

A

A

G

D

H

H

A

A

G

G

V

V

V

S

P

P

D

D

I

I

M

M

C

C

V

V

G

G

K
|
K

A

A

L

L

T

T

G

G

G

G

Y

Y

L

L

T

S

L

L

A

A

A

A

M

T

I

L

C

C

T

T

G

A

A

D

V

V

A

A

E

H

T

T

V

I

S

S

R

A

G

G

A

A

A

A

G

G

A

A

L

L

L

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

V

V

A

S

N

V

A

A

S

S

L

V

G

E

I

L

I

L

D

L

G

G

G

Q

A

D

W

W

R

R

A

T

D

R

V

I

A

T

R

E

I

L

G

A

A

A

G

G

L

L

Q

T

A

A

G

G

L

L

A

D

P

T

A

A

R

R

E

A

L

L

D

P

A

A

V

V

R

T

D

D

V

V

R

R

T

V

I

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

L

C

R

D

D

R

S

P

V

V

D

D

V

L

T

A

A

V

V

A

T

T

A

P

A

A

A

A

I

L

S

D

H

R

G

G

V

V

W

W

V

L

R

R

P

P

F

F

R

R

N

N

L

L

V

V

Y
|
Y

T

A

M

M

P

P

P

P

Y

Y

V

I

C

C

T

T

A

P

A

A

D

E

V

I

E

T

Q

Q

I

I

T

T

A

S

G

A

M

M

active site: Y18 (= Y20), Y150 (= Y157), E213 (= E226), D247 (= D260), A250 (= A263), K276 (= K289), Y400 (= Y413)
binding 4-(1H-imidazol-1-yl)benzamide: P17 (= P19), Y18 (= Y20), W57 (= W59), M84 (= M86), G86 (= G88), Y150 (= Y157), G309 (= G322)
binding pyridoxal-5'-phosphate: G117 (= G124), S118 (= S125), Y150 (= Y157), H151 (= H158), G152 (= G159), E213 (= E226), D247 (= D260), I249 (= I262), K276 (= K289), P310 (= P323), T311 (= T324)

4mqrA Mycobaterium tuberculosis transaminase bioa complexed with e)-5- hydroxy-4-(((z)-isonicotinoyldiazenyl)methylene)-6-methyl-1,4- dihydropyridin-3-yl)methyl phosphate (see paper)
53% identity, 95% coverage: 3:432/451 of query aligns to 1:419/428 of 4mqrA

query
sites
4mqrA

L

L

I

T

Q

P

R

E

N

Q

L

I

I

I

Q

A

R

V

D

D

R

G

A

A

S

H

L

L

W

W

H

H

P

P

Y
|
Y

A

S

P

S

A

I

S

G

G

R

D

E

L

A

P

V

L

S

W

P

E

V

V

V

E

A

A

V

A

A

-

A

D

H

G

G

V

A

R

W

L

L

R

T

L

L

R

I

D

R

D

D

D

-

G

G

G

Q

R

P

H

I

E

E

V

V

L

L

D

D

A

A

M

M

S

S

S

S

W
|
W

W

W

S

T

V

A

I

I

H

H

G

G

Y

H

R

G

N

H

P

P

V

A

L

L

D

D

A

Q

A

A

A

L

K

T

R

T

Q

Q

I

L

D

R

A

V

F

M

S

N

H

H

V

V

M

M

F

F

G

G

G

G

L

L

T

T

H

H

G

E

P

P

A

A

V

A

E

R

L

L

A

A

E

K

R

L

L

L

L

V

A

D

L

I

V

T

P

P

S

A

T

G

E

-

G

-

R

-

P

-

R

-

L

L

E

D

R

T

V

V

F

F

L

F

A

S

D

D

S

S

G
|
G

S
|
S

I

V

S

S

V

V

E

E

V

V

A

A

L

A

K

K

L

M

A

A

V

L

Q

Q

F

Y

Q

W

T

R

A

G

A

R

G

G

R

L

P

P

K

G

R

K

Q

R

R

R

F

L

L

M

S

T

L

W

R

R

G

G

G

G

Y
|
Y

H
|
H

G

G

D

D

T

T

F

F

A

L

A

A

M

M

G

S

V

I

C

C

D

D

P

P

V

H

D

G

G

G

M

M

H

H

S

S

A

L

F

W

P

T

G

D

M

V

L

L

A

A

G

A

N

Q

V

V

F

F

A

A

P

P

R

Q

P

V

P

P

A

R

A

D

A

Y

T

D

A

P

T

A

A

-

E

-

D

-

I

-

G

-

Q

-

W

Y

R

S

A

A

E

A

V

F

E

E

E

A

L

Q

A

L

A

A

R

Q

H

H

S

A

G

G

G

E

L

L

A

A

A

A

I

V

I

V

A

V

E
|
E

P

P

V

V

L

V

Q

Q

G

G

A

A

G

G

G

G

M

M

F

R

A

F

Y

H

P

D

A

P

E

R

C

Y

V

L

R

H

I

D

L

L

R

R

E

D

I

I

A

C

D

R

G

R

H

Y

G

E

L

V

L

L

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

E

A

L

L

F

F

A

A

A

A

G

D

H

H

A

A

G

G

V

V

V

S

P

P

D

D

I

I

M

M

C

C

V

V

G

G

K
|
K

A

A

L

L

T

T

G

G

G

G

Y

Y

L

L

T

S

L

L

A

A

A

A

M

T

I

L

C

C

T

T

G

A

A

D

V

V

A

A

E

H

T

T

V

I

S

S

R

A

G

G

A

A

A

A

G

G

A

A

L

L

L

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

V

V

A

S

N

V

A

A

S

S

L

V

G

E

I

L

I

L

D

L

G

G

G

Q

A

D

W

W

R

R

A

T

D

R

V

I

A

T

R

E

I

L

G

A

A

A

G

G

L

L

Q

T

A

A

G

G

L

L

A

D

P

T

A

A

R

R

E

A

L

L

D

P

A

A

V

V

R

T

D

D

V

V

R

R

T

V

I

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

L

C

R

D

D

R

S

P

V

V

D

D

V

L

T

A

A

V

V

A

T

T

A

P

A

A

A

A

I

L

S

D

H

R

G

G

V

V

W

W

V

L

R

R

P

P

F

F

R

R

N

N

L

L

V

V

Y
|
Y

T

A

M

M

P

P

P

P

Y

Y

V

I

C

C

T

T

A

P

A

A

D

E

V

I

E

T

Q

Q

I

I

T

T

A

S

G

A

M

M

active site: Y18 (= Y20), Y150 (= Y157), E213 (= E226), D247 (= D260), A250 (= A263), K276 (= K289), Y400 (= Y413)
binding [(4Z)-5-hydroxy-6-methyl-4-{[(E)-(pyridin-4-ylcarbonyl)diazenyl]methylidene}-1,4-dihydropyridin-3-yl]methyl dihydrogen phosphate: Y18 (= Y20), W57 (= W59), G117 (= G124), S118 (= S125), Y150 (= Y157), H151 (= H158), D247 (= D260), I249 (= I262), K276 (= K289), G309 (= G322), P310 (= P323), T311 (= T324)

4mqqA Mycobaterium tuberculosis transaminase bioa complexed with benzo[d]thiazole-2-carbohydrazide (see paper)
53% identity, 95% coverage: 3:432/451 of query aligns to 1:419/428 of 4mqqA

query
sites
4mqqA

L

L

I

T

Q

P

R

E

N

Q

L

I

I

I

Q

A

R

V

D

D

R

G

A

A

S

H

L

L

W

W

H

H

P

P

Y
|
Y

A

S

P

S

A

I

S

G

G

R

D

E

L

A

P

V

L

S

W

P

E

V

V

V

E

A

A

V

A

A

-

A

D

H

G

G

V

A

R

W

L

L

R

T

L

L

R

I

D

R

D

D

D

-

G

G

G

Q

R

P

H

I

E

E

V

V

L

L

D

D

A

A

M

M

S

S

S

S

W
|
W

W
|
W

S

T

V

A

I

I

H

H

G

G

Y

H

R

G

N

H

P

P

V

A

L

L

D

D

A

Q

A

A

A

L

K

T

R

T

Q

Q

I

L

D

R

A

V

F

M

S

N

H

H

V

V

M

M

F

F

G

G

G

G

L

L

T

T

H

H

G

E

P

P

A

A

V

A

E

R

L

L

A

A

E

K

R

L

L

L

L

V

A

D

L

I

V

T

P

P

S

A

T

G

E

-

G

-

R

-

P

-

R

-

L

L

E

D

R

T

V

V

F

F

L

F

A

S

D

D

S

S

G
|
G

S
|
S

I

V

S

S

V

V

E

E

V

V

A

A

L

A

K

K

L

M

A

A

V

L

Q

Q

F

Y

Q

W

T

R

A

G

A

R

G

G

R

L

P

P

K

G

R

K

Q

R

R

R

F

L

L

M

S

T

L

W

R

R

G

G

G

G

Y
|
Y

H
|
H

G

G

D

D

T

T

F

F

A

L

A

A

M

M

G

S

V

I

C

C

D

D

P

P

V

H

D

G

G

G

M

M

H

H

S

S

A

L

F

W

P

T

G

D

M

V

L

L

A

A

G

A

N

Q

V

V

F

F

A

A

P

P

R

Q

P

V

P

P

A

R

A

D

A

Y

T

D

A

P

T

A

A

-

E

-

D

-

I

-

G

-

Q

-

W

Y

R

S

A

A

E

A

V

F

E

E

E

A

L

Q

A

L

A

A

R

Q

H

H

S

A

G

G

G

E

L

L

A

A

A

A

I

V

I

V

A

V

E
|
E

P

P

V

V

L

V

Q

Q

G

G

A

A

G

G

G

G

M

M

F

R

A

F

Y

H

P

D

A

P

E

R

C

Y

V

L

R

H

I

D

L

L

R

R

E

D

I

I

A

C

D

R

G

R

H

Y

G

E

L

V

L

L

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

E

A

L

L

F

F

A

A

A

A

G

D

H

H

A

A

G

G

V

V

V

S

P

P

D

D

I

I

M

M

C

C

V

V

G

G

K
|
K

A

A

L

L

T

T

G

G

G

G

Y

Y

L

L

T

S

L

L

A

A

A

A

M

T

I

L

C

C

T

T

G

A

A

D

V

V

A

A

E

H

T

T

V

I

S

S

R

A

G

G

A

A

A

A

G

G

A

A

L

L

L

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

V

V

A

S

N

V

A

A

S

S

L

V

G

E

I

L

I

L

D

L

G

G

G

Q

A

D

W

W

R

R

A

T

D

R

V

I

A

T

R

E

I

L

G

A

A

A

G

G

L

L

Q

T

A

A

G

G

L

L

A

D

P

T

A

A

R

R

E

A

L

L

D

P

A

A

V

V

R

T

D

D

V

V

R

R

T

V

I

C

G

G

A

A

V

I

G

G

V

V

I

I

E

E

L

C

R

D

D

R

S

P

V

V

D

D

V

L

T

A

A

V

V

A

T

T

A

P

A

A

A

A

I

L

S

D

H

R

G

G

V

V

W

W

V

L

R

R

P

P

F

F

R

R

N

N

L

L

V

V

Y
|
Y

T

A

M

M

P

P

P

P

Y

Y

V

I

C

C

T

T

A

P

A

A

D

E

V

I

E

T

Q

Q

I

I

T

T

A

S

G

A

M

M

active site: Y18 (= Y20), Y150 (= Y157), E213 (= E226), D247 (= D260), A250 (= A263), K276 (= K289), Y400 (= Y413)
binding (4-{[(E)-(1,3-benzothiazol-2-ylcarbonyl)diazenyl]methyl}-5-hydroxy-6-methylpyridin-3-yl)methyl dihydrogen phosphate: Y18 (= Y20), W57 (= W59), W58 (= W60), G117 (= G124), S118 (= S125), Y150 (= Y157), H151 (= H158), D247 (= D260), I249 (= I262), K276 (= K289), P310 (= P323), T311 (= T324)

4mqpA Mycobaterium tuberculosis transaminase bioa complexed with 2- hydrazinylbenzo[d]thiazole (see paper)
53% identity, 95% coverage: 3:432/451 of query aligns to 1:419/428 of 4mqpA

query
sites
4mqpA

L

L

I

T

Q

P

R

E

N

Q

L

I

I

I

Q

A

R

V

D

D

R

G

A

A

S

H

L

L

W

W

H

H

P

P

Y
|
Y

A