SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_092345908.1 NCBI__GCF_900107645.1:WP_092345908.1 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)

P0ABK5 Cysteine synthase A; CSase A; O-acetylserine (thiol)-lyase A; OAS-TL A; O-acetylserine sulfhydrylase A; S-carboxymethylcysteine synthase; Sulfate starvation-induced protein 5; SSI5; EC 2.5.1.47; EC 4.5.1.5 from Escherichia coli (strain K12) (see 5 papers)
70% identity, 99% coverage: 1:314/318 of query aligns to 1:312/323 of P0ABK5

query
sites
P0ABK5

M
|
M

S

S

N

K

I

I

Y

F

T

E

D

D

N

N

S

S

L

L

S

T

I

I

G

G

N

H

T

T

P

P

L

L

V

V

R

R

L

L

N

N

R

R

V

I

I

-

P

-

T

-

S

G

G

N

V

G

N

R

V

I

Y

L

A

A

K

K

I

V

E

E

G

S

R

R

N

N

P

P

G

S

Y

F

S

S

V

V

K
|
K

C

C

R

R

I

I

G

G

A

A

S

N

M

M

I

I

W

W

D

D

A

A

I

E

K

K

T

R

G

G

T

V

L

L

K

K

P

P

G

G

M

V

E

E

L

L

I

V

E

E

P

P

T

T

S

S

G

G

N

N

T

T

G

G

I

I

A

A

L

L

A

A

F

Y

V

V

A

A

K

R

G

G

I

Y

P

K

L

L

T

T

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

I

E

E

R

R

R

K

V

L

L

L

K

K

A

A

L

L

G

G

A

A

N

N

L

L

I

V

L

L

T

T

P

E

G

G

A

A

K

K

G

G

M

M

A

K

G

G

A

A

I

I

L

Q

E

K

A

A

E

E

Q

E

I

I

A

V

N

A

S

S

K

N

P

P

E

E

L

K

Y

Y

V

L

L

L

N

Q

Q

Q

F

F

K

S

N

N

P

P

A

A

N

N

P

P

A

E

I

I

H

H

E

E

Q

K

T

T

G

G

P

P

E

E

I

I

W

W

N

E

D

D

T

T

D

D

G

G

N

Q

F

V

D

D

V

V

L

F

I

I

S

A

G

G

V

V

G

G

T

T

G

G

T

T

I

L

S

T

G

G

V

V

T

S

R

R

Y

Y

I

I

K

K

K

G

T

T

K

K

G

G

K

K

-

T

Q

D

I

L

I

I

S

S

V

V

A

A

V

V

E

E

P

P

T

T

D

D

S

S

P

P

V

V

I

I

S

A

Q

Q

H

A

L

L

A

A

G

G

E

E

P

E

L

I

Q

K

P

P

G

G

P

P

H

H

K

K

I

I

Q

Q

G

G

I

I

G

G

A

A

G

G

F

F

I

I

P

P

A

A

N

N

L

L

D

D

L

L

D

K

V

L

I

V

D

D

R

K

V

V

E

I

K

G

V

I

T

T

N

N

E

E

S

A

L

I

D

S

F

T

A

A

R

R

L

L

A

M

K

E

E

E

G

G

L

I

L

L

S

A

G

G

I

I

S

S

C

S

G

G

A

A

V

V

A

A

V

A

A

A

A

L

R

K

L

L

A

Q

A

E

E

D

A

E

E

S

F

F

S

T

G

N

K

K

N

N

I

I

V

V

I

I

L

L

P

P

D

S

S

S

G

G

E

E

R

R

Y

Y

L

L

S

S

S

T

V

A

L

L

F

F

M1 (= M1) modified: Initiator methionine, Removed
K42 (= K45) modified: N6-(pyridoxal phosphate)lysine; mutation to A: Still stimulates tRNase activity of CdiA-CT in vitro and in vivo.

P0A1E3 Cysteine synthase A; CSase A; O-acetylserine (thiol)-lyase A; OAS-TL A; O-acetylserine sulfhydrylase A; EC 2.5.1.47 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see 4 papers)
70% identity, 99% coverage: 1:314/318 of query aligns to 1:312/323 of P0A1E3

query
sites
P0A1E3

M
|
M

S

S

N

K

I

I

Y

Y

T

E

D

D

N

N

S

S

L

L

S

T

I

I

G

G

N

H

T

T

P

P

L

L

V

V

R

R

L

L

N

N

R

R

V

I

I

-

P

-

T

-

S

G

G

N

V

G

N

R

V

I

Y

L

A

A

K

K

I

V

E

E

G

S

R

R

N

N

P

P

G

S

Y

F

S

S

V

V

K

K

C

C

R

R

I

I

G

G

A

A

S

N

M

M

I

I

W

W

D

D

A

A

I

E

K

K

T

R

G

G

T

V

L

L

K

K

P

P

G

G

M

V

E

E

L

L

I

V

E

E

P

P

T

T

S

S

G

G

N
|
N

T

T

G

G

I

I

A

A

L

L

A

A

F

Y

V

V

A

A

K

R

G

G

I

Y

P

K

L

L

T

T

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

I

E

E

R

R

R

K

V

L

L

L

K

K

A

A

L

L

G

G

A

A

N

N

L

L

I

V

L

L

T

T

P

E

G

G

A

A

K

K

G

G

M

M

A

K

G

G

A

A

I

I

L

Q

E

K

A

A

E

E

Q

E

I

I

A

V

N

A

S

S

K

D

P

P

E

Q

L

K

Y

Y

V

L

L

L

N

Q

Q

Q

F

F

K

S

N

N

P

P

A

A

N

N

P

P

A

E

I

I

H

H

E

E

Q

K

T

T

G

G

P

P

E

E

I

I

W

W

N

E

D

D

T

T

D

D

G

G

N

Q

F

V

D

D

V

V

L

F

I

I

S

S

G

G

V

V

G

G

T

T

G

G

T

T

I

L

S

T

G

G

V

V

T

T

R

R

Y

Y

I

I

K

K

K

G

T

T

K

K

G

G

K

K

-

T

Q

D

I

L

I

I

S

T

V

V

A

A

V

V

E

E

P

P

T

T

D

D

S

S

P

P

V

V

I

I

S

A

Q

Q

H

A

L

L

A

A

G

G

E

E

P

E

L

I

Q

K

P

P

G

G

P

P

H

H

K

K

I

I

Q

Q

G

G

I

I

G

G

A

A

G

G

F

F

I

I

P

P

A

G

N

N

L

L

D

D

L

L

D

K

V

L

I

I

D

D

R

K

V

V

E

V

K

G

V

I

T

T

N

N

E

E

S

A

L

I

D

S

F

T

A

A

R

R

L

L

A

M

K

E

E

E

G

G

L

I

L

L

S

A

G

G

I

I

S
|
S

C

S

G

G

A

A

V

V

A

A

V

A

A

A

A

L

R

K

L

L

A

Q

A

E

E

D

A

E

E

S

F

F

S

T

G

N

K

K

N

N

I

I

V

V

I

I

L

L

P

P

D

S

S

S

G

G

E

E

R

R

Y

Y

L

L

S

S

S

T

V

A

L

L

F

F

M1 (= M1) modified: Initiator methionine, Removed
N72 (= N75) binding pyridoxal 5'-phosphate
S273 (= S275) binding pyridoxal 5'-phosphate

6z4nAAA structure of oass complexed with upar inhibitor (see paper)
70% identity, 99% coverage: 1:314/318 of query aligns to 2:313/321 of 6z4nAAA

query
sites
6z4nAAA

M

M

S

S

N

K

I

I

Y

Y

T

E

D

D

N

N

S

S

L

L

S

T

I

I

G

G

N

H

T

T

P

P

L

L

V

V

R

R

L

L

N

N

R

R

V

I

I

-

P

-

T

-

S

G

G

N

V

G

N

R

V

I

Y

L

A

A

K

K

I

V

E

E

G

S

R

R

N

N

P

P

G

S

Y

F

S

S

V

V

K
|
K

C

C

R

R

I

I

G

G

A

A

S

N

M

M

I

I

W

W

D

D

A

A

I

E

K

K

T

R

G

G

T

V

L

L

K

K

P

P

G

G

M

V

E

E

L

L

I

V

E

E

P

P

T
|
T

S

S

G
|
G

N
|
N

T
|
T

G

G

I

I

A

A

L

L

A

A

F

Y

V

V

A

A

K

R

G

G

I

Y

P

K

L

L

T

T

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

I

E

E

R

R

R

K

V

L

L

L

K

K

A

A

L

L

G

G

A

A

N

N

L

L

I

V

L

L

T

T

P

E

G

G

A

A

K

K

G

G

M

M

A

K

G

G

A

A

I

I

L

Q

E

K

A

A

E

E

Q

E

I

I

A

V

N

A

S

S

K

D

P

P

E

Q

L

K

Y

Y

V

L

L

L

N

Q

Q
|
Q

F
|
F

K

S

N

N

P

P

A

A

N

N

P

P

A

E

I

I

H

H

E

E

Q

K

T

T

G

G

P

P

E

E

I

I

W

W

N

E

D

D

T

T

D

D

G

G

N

Q

F

V

D

D

V

V

L

F

I

I

S

S

G

G

V
|
V

G
|
G

T
|
T

G
|
G

G

G

T
|
T

I

L

S

T

G

G

V

V

T

T

R

R

Y

Y

I

I

K

K

K

G

T

T

K

K

G

G

K

K

-

T

Q

D

I

L

I

I

S

T

V

V

A

A

V

V

E

E

P

P

T

T

D

D

S

S

P

P

V

V

I

I

S

A

Q

Q

H

A

L

L

A

A

G

G

E

E

P

E

L

I

Q

K

P

P

G

G

P

P

H

H

K

K

I

I

Q
|
Q

G
|
G

I
|
I

G

G

A
|
A

G

G

F

F

I

I

P

P

A

G

N

N

L

L

D

D

L

L

D

K

V

L

I

I

D

D

R

K

V

V

E

V

K

G

V

I

T

T

N

N

E

E

S

A

L

I

D

S

F

T

A

A

R

R

L

L

A

M

K

E

E

E

G

G

L

I

L

L

S

A

G

G

I

I

S
|
S

C

S

G

G

A

A

V

V

A

A

V

A

A

A

A

L

R

K

L

L

A

Q

A

E

E

D

A

E

E

S

F

F

S

T

G

N

K

K

N

N

I

I

V

V

I

I

L

L

P
|
P

D

S

S

S

G

G

E

E

R

R

Y

Y

L

L

S

S

S

T

V

A

L

L

F

F

binding pyridoxal-5'-phosphate: K43 (= K45), N73 (= N75), V177 (= V179), G178 (= G180), T179 (= T181), G180 (= G182), T182 (= T184), G230 (= G231), S274 (= S275), P301 (= P302)
binding (1~{S},2~{S})-1-[(4-methylphenyl)methyl]-2-phenyl-cyclopropane-1-carboxylic acid: K43 (= K45), T70 (= T72), G72 (= G74), N73 (= N75), T74 (= T76), Q144 (= Q146), F145 (= F147), Q229 (= Q230), G230 (= G231), I231 (= I232), A233 (= A234)

1d6sA Crystal structure of the k41a mutant of o-acetylserine sulfhydrylase complexed in external aldimine linkage with methionine (see paper)
70% identity, 98% coverage: 2:314/318 of query aligns to 1:311/322 of 1d6sA

query
sites
1d6sA

S

S

N

K

I

I

Y

Y

T

E

D

D

N

N

S

S

L

L

S

T

I

I

G

G

N

H

T

T

P

P

L

L

V

V

R

R

L

L

N

N

R

R

V

I

I

-

P

-

T

-

S

G

G

N

V

G

N

R

V

I

Y

L

A

A

K

K

I

V

E

E

G

S

R

R

N

N

P

P

G

S

Y

F

S

S

V

V

K
x
A

C

C

R

R

I

I

G

G

A

A

S

N

M

M

I

I

W

W

D

D

A

A

I

E

K

K

T

R

G

G

T

V

L

L

K

K

P

P

G

G

M

V

E

E

L

L

I

V

E

E

P

P

T
|
T

S
x
N

G

G

N
|
N

T
|
T

G

G

I

I

A

A

L

L

A

A

F

Y

V

V

A

A

K

R

G

G

I

Y

P

K

L

L

T

T

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

I

E

E

R

R

R

K

V

L

L

L

K

K

A

A

L

L

G

G

A

A

N

N

L

L

I

V

L

L

T

T

P

E

G

G

A

A

K

K

G

G

M

M

A

K

G

G

A

A

I

I

L

Q

E

K

A

A

E

E

Q

E

I

I

A

V

N

A

S

S

K

D

P

P

E

Q

L

K

Y

Y

V

L

L

L

N

Q

Q
|
Q

F
|
F

K

S

N

N

P

P

A

A

N

N

P

P

A

E

I

I

H

H

E

E

Q

K

T

T

G

G

P

P

E

E

I

I

W

W

N

E

D

D

T

T

D

D

G

G

N

Q

F

V

D

D

V

V

L

F

I

I

S

S

G

G

V

V

G
|
G

T
|
T

G
|
G

G

G

T
|
T

I

L

S

T

G

G

V

V

T

T

R

R

Y

Y

I

I

K

K

K

G

T

T

K

K

G

G

K

K

-

T

Q

D

I

L

I

I

S

T

V

V

A

A

V

V

E

E

P

P

T

T

D

D

S

S

P

P

V

V

I

I

S

A

Q

Q

H

A

L

L

A

A

G

G

E

E

P

E

L

I

Q

K

P

P

G

G

P

P

H

H

K

K

I

I

Q

Q

G
|
G

I

I

G

G

A

A

G

G

F

F

I

I

P

P

A

G

N

N

L

L

D

D

L

L

D

K

V

L

I

I

D

D

R

K

V

V

E

V

K

G

V

I

T

T

N

N

E

E

S

A

L

I

D

S

F

T

A

A

R

R

L

L

A

M

K

E

E

E

G

G

L

I

L

L

S

A

G

G

I

I

S
|
S

C

S

G

G

A

A

V

V

A

A

V

A

A

A

A

L

R

K

L

L

A

Q

A

E

E

D

A

E

E

S

F

F

S

T

G

N

K

K

N

N

I

I

V

V

I

I

L

L

P
|
P

D

S

S

S

G

G

E

E

R

R

Y

Y

L

L

S

S

S

T

V

A

L

L

F

F

active site: A41 (≠ K45), G228 (= G231)
binding methionine: T68 (= T72), N69 (≠ S73), N71 (= N75), T72 (= T76), Q142 (= Q146), F143 (= F147), G176 (= G180), G228 (= G231)
binding pyridoxal-5'-phosphate: N71 (= N75), G176 (= G180), T177 (= T181), G178 (= G182), T180 (= T184), G228 (= G231), S272 (= S275), P299 (= P302)

1fcjA Crystal structure of oass complexed with chloride and sulfate (see paper)
70% identity, 96% coverage: 2:305/318 of query aligns to 1:302/302 of 1fcjA

query
sites
1fcjA

S

S

N

K

I

I

Y

Y

T

E

D

D

N

N

S

S

L

L

S

T

I

I

G

G

N

H

T

T

P

P

L

L

V

V

R

R

L

L

N

N

R

R

V

I

I

-

P

-

T

-

S

G

G

N

V

G

N

R

V

I

Y

L

A

A

K

K

I

V

E

E

G

S

R

R

N

N

P

P

G

S

Y

F

S

S

V

V

K
|
K

C

C

R

R

I

I

G

G

A

A

S

N

M

M

I

I

W

W

D

D

A

A

I

E

K

K

T

R

G

G

T

V

L

L

K

K

P

P

G

G

M

V

E

E

L

L

I

V

E

E

P

P

T

T

S

N

G
|
G

N
|
N

T
|
T

G

G

I

I

A

A

L

L

A

A

F

Y

V

V

A

A

K

R

G

G

I

Y

P

K

L

L

T

T

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

I

E

E

R

R

R

K

V

L

L

L

K

K

A

A

L

L

G

G

A

A

N

N

L

L

I

V

L

L

T

T

P

E

G

G

A

A

K

K

G

G

M

M

A

K

G

G

A

A

I

I

L

Q

E

K

A

A

E

E

Q

E

I

I

A

V

N

A

S

S

K

D

P

P

E

Q

L

K

Y

Y

V

L

L

L

N

Q

Q
|
Q

F

F

K

S

N

N

P

P

A

A

N

N

P

P

A

E

I

I

H

H

E

E

Q

K

T

T

G

G

P

P

E

E

I

I

W

W

N

E

D

D

T

T

D

D

G

G

N

Q

F

V

D

D

V

V

L

F

I

I

S

S

G

G

V
|
V

G
|
G

T
|
T

G
|
G

G

G

T
|
T

I

L

S

T

G

G

V

V

T

T

R

R

Y

Y

I

I

K

K

K

G

T

T

K

K

G

G

K

K

-

T

Q

D

I

L

I

I

S

T

V

V

A

A

V

V

E

E

P

P

T

T

D

D

S

S

P

P

V

V

I

I

S

A

Q

Q

H

A

L

L

A

A

G

G

E

E

P

E

L

I

Q

K

P

P

G

G

P

P

H

H

K

K

I

I

Q

Q

G
|
G

I

I

G

G

A

A

G

G

F

F

I

I

P

P

A

G

N

N

L

L

D

D

L

L

D

K

V

L

I

I

D

D

R

K

V

V

E

V

K

G

V

I

T

T

N

N

E

E

S

A

L

I

D

S

F

T

A

A

R

R

L

L

A

M

K

E

E

E

G

G

L

I

L

L

S

A

G

G

I

I

S
|
S

C

S

G

G

A

A

V

V

A

A

V

A

A

A

A

L

R

K

L

L

A

Q

A

E

E

D

A

E

E

S

F

F

S

T

G

N

K

K

N

N

I

I

V

V

I

I

L

L

P
|
P

D

S

S

S

G

G

active site: K41 (= K45), G228 (= G231), S272 (= S275)
binding pyridoxal-5'-phosphate: K41 (= K45), N71 (= N75), V175 (= V179), G176 (= G180), T177 (= T181), G178 (= G182), T180 (= T184), G228 (= G231), S272 (= S275), P299 (= P302)
binding sulfate ion: G70 (= G74), T72 (= T76), Q142 (= Q146)

5dbhX Crystal structure of o-acetylserine sulfhydrylase from haemophilus influenzae in complex with reaction intermediate alpha-aminoacrylate
66% identity, 98% coverage: 4:315/318 of query aligns to 2:311/312 of 5dbhX

query
sites
5dbhX

I

I

Y

Y

T

A

D

D

N

N

S

S

L

Y

S

S

I

I

G

G

N

N

T

T

P

P

L

L

V

V

R

R

L

L

N

K

R

H

V

F

I

-

P

-

T

G

S

H

G

N

V

G

N

N

V

V

Y

V

A

V

K

K

I

I

E

E

G

G

R

R

N

N

P

P

G

S

Y

Y

S

S

V

V

K
|
K

C

C

R

R

I

I

G

G

A

A

S

N

M

M

I

V

W

W

D

Q

A

A

I

E

K

K

T

D

G

G

T

T

L

L

K

T

P

K

G

G

M

K

E

E

L

I

I

V

E

D

P

A

T
|
T

S
|
S

G

G

N
|
N

T
|
T

G

G

I

I

A

A

L

L

A

A

F

Y

V

V

A

A

K

R

G

G

I

Y

P

K

L

I

T

T

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

L

E

E

R

R

R

K

R

R

V

L

L

L

K

C

A

G

L

L

G

G

A

V

N

N

L

L

I

V

L

L

T

T

P

E

G

G

A

A

K

K

G

G

M

M

A

K

G

G

A

A

I

I

L

A

E

K

A

A

E

E

Q

E

I

I

A

V

N

A

S

S

K

D

P

P

E

S

L

R

Y

Y

V

V

L

M

L

L

N

K

Q
|
Q

F

F

K

E

N

N

P

P

A

A

N

N

P

P

A

Q

I

I

H

H

E

R

Q

E

T

T

G

G

P

P

E

E

I

I

W

W

N

K

D

D

T

T

D

D

G

G

N

K

F

V

D

D

V

V

L

V

I

V

S

A

G

G

V

V

G
|
G

T
|
T

G
|
G

G

G

T
x
S

I

I

S

T

G

G

V

I

T

S

R

R

Y

A

I

I

K

K

K

L

T

D

K

F

G

G

K

K

Q

Q

I

I

I

T

S

S

V

V

A

A

V

V

E

E

P

P

T

V

D

E

S

S

P

P

V

V

I

I

S

S

Q

Q

H

T

L

L

A

A

G

G

E

E

P

E

L

V

Q

K

P

P

G

G

P

P

H

H

K

K

I

I

Q

Q

G
|
G

I

I

G

G

A

A

G

G

F

F

I

I

P

P

A

K

N

N

L

L

D

D

L

L

D

S

V

I

I

I

D

D

R

R

V

V

E

E

K

T

V

V

T

D

N

S

E

D

E

T

S

A

L

L

D

A

F

T

A

A

R

R

L

L

A

M

K

A

E

E

G

G

L

I

L

L

S

A

G

G

I

I

S
|
S

C

S

G

G

A

A

V

V

A

A

V

A

A

A

A

D

R

R

L

L

A

A

A

K

E

L

A

P

E

E

F

F

S

A

G

D

K

K

N

L

I

I

V

V

I

I

L

L

P
|
P

D

S

S

A

G

S

E

E

R

R

Y

Y

L

L

S

S

S

T

V

A

L

L

F

F

D

E

binding 2-{[(E)-{3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene]amino}prop-2-enoic acid: K41 (= K45), T68 (= T72), S69 (= S73), N71 (= N75), T72 (= T76), Q142 (= Q146), G176 (= G180), T177 (= T181), G178 (= G182), S180 (≠ T184), G227 (= G231), S271 (= S275), P298 (= P302)

1y7lA O-acetylserine sulfhydrylase complex (see paper)
66% identity, 98% coverage: 4:314/318 of query aligns to 2:310/310 of 1y7lA

query
sites
1y7lA

I

I

Y

Y

T

A

D

D

N

N

S

S

L

Y

S

S

I

I

G

G

N

N

T

T

P

P

L

L

V

V

R

R

L

L

N

K

R

H

V

F

I

-

P

-

T

G

S

H

G

N

V

G

N

N

V

V

Y

V

A

V

K

K

I

I

E

E

G

G

R

R

N

N

P

P

G

S

Y

Y

S

S

V

V

K
|
K

C

C

R

R

I

I

G

G

A

A

S

N

M

M

I

V

W

W

D

Q

A

A

I

E

K

K

T

D

G

G

T

T

L

L

K

T

P

K

G

G

M

K

E

E

L

I

I

V

E

D

P

A

T
|
T

S
|
S

G

G

N

N

T
|
T

G

G

I

I

A

A

L

L

A

A

F

Y

V

V

A

A

K

R

G

G

I

Y

P

K

L

I

T

T

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

L

E

E

R

R

R

K

R

R

V

L

L

L

K

C

A

G

L

L

G

G

A

V

N

N

L

L

I

V

L

L

T

T

P

E

G

G

A

A

K

K

G

G

M
|
M

A

K

G

G

A

A

I

I

L

A

E

K

A

A

E

E

Q

E

I

I

A

V

N

A

S

S

K

D

P

P

E

S

L

R

Y

Y

V

V

L

M

L

L

N

K

Q
|
Q

F

F

K

E

N

N

P

P

A

A

N

N

P

P

A

Q

I

I

H

H

E

R

Q

E

T

T

G

G

P

P

E

E

I

I

W

W

N

K

D

D

T

T

D

D

G

G

N

K

F

V

D

D

V

V

L

V

I

V

S

A

G

G

V

V

G

G

T

T

G

G

T

S

I

I

S

T

G

G

V

I

T

S

R

R

Y

A

I

I

K

K

K

L

T

D

K

F

G

G

K

K

Q

Q

I

I

I

T

S

S

V

V

A

A

V

V

E

E

P

P

T

V

D

E

S

S

P

P

V

V

I

I

S

S

Q

Q

H

T

L

L

A

A

G

G

E

E

P

E

L

V

Q

K

P

P

G

G

P

P

H

H

K

K

I

I

Q

Q

G

G

I

I

G

G

A

A

G

G

F

F

I

I

P

P

A

K

N

N

L

L

D

D

L

L

D

S

V

I

I

I

D

D

R

R

V

V

E

E

K

T

V

V

T

D

N

S

E

D

E

T

S

A

L

L

D

A

F

T

A

A

R

R

L

L

A

M

K

A

E

E

G

G

L

I

L

L

S

A

G

G

I

I

S
|
S

C

S

G

G

A

A

V

V

A

A

V

A

A

A

A

D

R

R

L

L

A

A

A

K

E

L

A

P

E

E

F

F

S

A

G

D

K

K

N

L

I

I

V

V

I

I

L

L

P
|
P

D

S

S

A

G

S

E

E

R

R

Y

Y

L

L

S

S

S

T

V

A

L

L

F

F

active site: K41 (= K45), S271 (= S275), P298 (= P302)
binding : K41 (= K45), T68 (= T72), S69 (= S73), T72 (= T76), M119 (= M123), Q142 (= Q146)

4zu6X Crystal structure of o-acetylserine sulfhydrylase from haemophilus influenzae in complex with pre-reactive o-acetyl serine, alpha- aminoacrylate reaction intermediate and peptide inhibitor at the resolution of 2.25a
66% identity, 98% coverage: 4:314/318 of query aligns to 3:309/309 of 4zu6X

query
sites
4zu6X

I

I

Y

Y

T

A

D

D

N

N

S

S

L

Y

S

S

I

I

G

G

N

N

T

T

P

P

L

L

V

V

R

R

L

L

N

K

R

H

V

F

I

-

P

-

T

G

S

H

G

N

V

G

N

N

V

V

Y

V

A

V

K

K

I

I

E

E

G

G

R

R

N

N

P

P

G

S

Y

Y

S

S

V

V

K
|
K

C

C

R

R

I

I

G

G

A

A

S

N

M

M

I

V

W

W

D

Q

A

A

I

E

K

K

T

D

G

G

T

T

L

L

K

T

P

K

G

G

M

K

E

E

L

I

I

V

E

D

P

A

T
|
T

S
|
S

G

G

N
|
N

T
|
T

G

G

I

I

A

A

L

L

A

A

F

Y

V

V

A

A

K

R

G

G

I

Y

P

K

L

I

T

T

L

L

T

T

M

M

P

P

D

E

T
|
T

M
|
M

S

S

K

L

E

E

R

R

R

K

R

R

V

L

L

L

K

C

A

G

L

L

G

G

A

V

N

N

L

L

I

V

L

L

T

T

P

E

G

G

A

A

K
|
K

G
|
G

M

-

A

-

G

G

A

A

I

I

L

A

E

K

A

A

E

E

Q

E

I

I

A

V

N

A

S

S

K

D

P

P

E

S

L

R

Y

Y

V

V

L

M

L

L

N

K

Q
|
Q

F

F

K

E

N

N

P

P

A

A

N

N

P

P

A

Q

I

I

H

H

E

R

Q

E

T

T

G

G

P

P

E

E

I

I

W

W

N

K

D

D

T

T

D

D

G

G

N

K

F

V

D

D

V

V

L

V

I

V

S

A

G

G

V
|
V

G
|
G

T
|
T

G
|
G

T
x
S

I

I

S

T

G

G

V

I

T

S

R

R

Y

A

I

I

K

K

K

L

T

D

K

F

G

G

K

K

Q

Q

I

I

I

T

S

S

V

V

A

A

V

V

E

E

P

P

T

V

D

E

S

S

P

P

V

V

I

I

S

S

Q

Q

H

T

L

L

A

A

G

G

E

E

P

E

L

V

Q

K

P

P

G

G

P
|
P

H
|
H

K
|
K

I

I

Q

Q

G
|
G

I

I

G

G

A
|
A

G

G

F

F

I

I

P

P

A

K

N

N

L

L

D

D

L

L

D

S

V

I

I

I

D

D

R

R

V

V

E

E

K

T

V

V

T

D

N

S

E

D

E

T

S

A

L

L

D

A

F

T

A

A

R

R

L

L

A

M

K

A

E

E

G

G

L

I

L

L

S

A

G

G

I

I

S
|
S

C

S

G

G

A

A

V

V

A

A

V

A

A

A

A

D

R

R

L

L

A

A

A

K

E

L

A

P

E

E

F

F

S

A

G

D

K

K

N

L

I

I

V

V

I

I

L

L

P
|
P

D

S

S

A

G

S

E

E

R

R

Y

Y

L

L

S

S

S

T

V

A

L

L

F

F

binding o-acetylserine: T69 (= T72), S70 (= S73), T73 (= T76), Q141 (= Q146), G175 (= G180), G226 (= G231)
binding pyridoxal-5'-phosphate: K42 (= K45), N72 (= N75), V174 (= V179), G175 (= G180), T176 (= T181), G177 (= G182), G178 (= G183), S179 (≠ T184), G226 (= G231), S270 (= S275), P297 (= P302)
binding : S70 (= S73), T95 (= T98), M96 (= M99), K118 (= K121), G119 (= G122), P221 (= P226), H222 (= H227), K223 (= K228), A229 (= A234)

4oreX Cyrstal structure of o-acetylserine sulfhydrylase ternary complex from haemophilus influenzae at 2.2 a
66% identity, 98% coverage: 4:314/318 of query aligns to 2:308/308 of 4oreX

query
sites
4oreX

I

I

Y

Y

T

A

D

D

N

N

S

S

L

Y

S

S

I

I

G

G

N

N

T

T

P

P

L

L

V

V

R

R

L

L

N

K

R

H

V

F

I

-

P

-

T

G

S

H

G

N

V

G

N

N

V

V

Y

V

A

V

K

K

I

I

E

E

G

G

R

R

N

N

P

P

G

S

Y

Y

S

S

V

V

K
|
K

C

C

R

R

I

I

G

G

A

A

S

N

M

M

I

V

W

W

D

Q

A

A

I

E

K

K

T

D

G

G

T

T

L

L

K

T

P

K

G

G

M

K

E

E

L

I

I

V

E

D

P

A

T
|
T

S

-

G
|
G

N

N

T
|
T

G

G

I

I

A

A

L

L

A

A

F

Y

V

V

A

A

K

R

G

G

I

Y

P

K

L

I

T

T

L

L

T

T

M

M

P
|
P

D

E

T

T

M

M

S

S

K

L

E

E

R

R

R

K

R

R

V

L

L

L

K

C

A

G

L

L

G

G

A

V

N

N

L

L

I

V

L

L

T

T

P

E

G

-

A

A

K
|
K

G
|
G

M
|
M

A

K

G

G

A

A

I

I

L

A

E

K

A

A

E

E

Q

E

I

I

A

V

N

A

S

S

K

D

P

P

E

S

L

R

Y

Y

V

V

L

M

L

L

N

K

Q

Q

F
|
F

K

E

N

N

P

P

A

A

N

N

P

P

A

Q

I

I

H

H

E

R

Q

E

T

T

G

G

P

P

E

E

I

I

W

W

N

K

D

D

T

T

D

D

G

G

N

K

F

V

D

D

V

V

L

V

I

V

S

A

G

G

V

V

G

G

T

T

G

G

T

S

I

I

S

T

G

G

V

I

T

S

R

R

Y

A

I

I

K

K

K

L

T

D

K

F

G

G

K

K

Q

Q

I

I

I

T

S

S

V

V

A

A

V

V

E

E

P

P

T

V

D

E

S

S

P

P

V

V

I

I

S

S

Q

Q

H

T

L

L

A

A

G

G

E

E

P

E

L

V

Q

K

P

P

G
|
G

P
|
P

H
|
H

K

K

I

I

Q

Q

G
|
G

I

I

G

G

A
|
A

G

G

F

F

I

I

P

P

A

K

N

N

L

L

D

D

L

L

D

S

V

I

I

I

D

D

R

R

V

V

E

E

K

T

V

V

T

D

N

S

E

D

E

T

S

A

L

L

D

A

F

T

A

A

R

R

L

L

A

M

K

A

E

E

G

G

L

I

L

L

S

A

G

G

I

I

S

S

C

S

G

G

A

A

V

V

A

A

V

A

A

A

A

D

R

R

L

L

A

A

A

K

E

L

A

P

E

E

F

F

S

A

G

D

K

K

N

L

I

I

V

V

I

I

L

L

P

P

D

S

S

A

G

S

E

E

R

R

Y

Y

L

L

S

S

S

T

V

A

L

L

F

F

binding o-acetylserine: K115 (= K121), G116 (= G122), M117 (= M123)
binding : K41 (= K45), T68 (= T72), G69 (= G74), T71 (= T76), P91 (= P96), M117 (= M123), F141 (= F147), G219 (= G225), P220 (= P226), H221 (= H227), G225 (= G231), A228 (= A234)

5xoqA Crystal structure of o-acetylserine sulfhydrylase with bound transcription factor peptide inhibitor from planctomyces limnophilus
62% identity, 98% coverage: 4:315/318 of query aligns to 4:307/310 of 5xoqA

query
sites
5xoqA

I

I

Y

F

T

K

D

D

N

N

S

S

L

E

S

S

I

I

G

G

N

R

T

T

P

P

L

L

V

V

R

Q

L

I

N

N

R

R

V

L

I

T

P

A

T

G

S

L

G

S

V

S

N

R

V

V

Y

L

A

A

K

K

I

I

E

E

G

G

R

R

N

N

P

P

G

A

Y

Y

S

S

V

V

K

K

C

C

R

R

I

I

G

G

A

A

S

A

M

M

I

I

W

W

D

D

A

A

I

E

K

Q

T

S

G

G

T

K

L

L

K

K

P

P

G

G

M

M

E

H

L

V

I

V

E

E

P

P

T
|
T

S
|
S

G
|
G

N

N

T
|
T

G

G

I

I

A

A

L

L

A

A

F

F

V

V

A

C

A

A

K

R

G

G

I

Y

P

K

L

L

T

T

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

I

E

E

R

R

R

M

V

M

L

L

K

K

A

S

L

F

G

G

A

A

N

D

L

L

I

V

L

L

T

T

P

P

G

G

A

A

K

D

G

G

M
|
M

A

K

G

G

A

A

I

I

L

S

E

K

A

A

E

E

Q

E

I

L

A

A

N

-

S

A

K

Q

P

P

E

G

L

W

Y

F

V

I

L

-

L

P

N

Q

Q
|
Q

F

F

K

K

N

N

P

P

A

A

N

N

P

P

A

A

I

I

H

H

E

V

Q

K

T

T

G

G

P

P

E

E

I

I

W

W

N

N

D

D

T

T

D

E

G

G

N

Q

F

V

D

D

V

V

L

F

I

V

S

A

G

G

V

V

G

G

T

T

G

G

T

T

I

I

S

T

G

G

V

V

T

A

R

R

Y

F

I

L

K

K

K

H

T

E

K

K

G

K

K

H

Q

P

I

V

I

H

S

V

V

V

A

A

V

V

E

E

P

P

T

A

D

A

S

S

P

P

V

V

I

-

S

-

Q

-

H

-

L

L

A

A

G

G

E

G

P

P

L

A

Q

-

P

-

G

G

P
x
R

H
|
H

K

K

I

I

Q
|
Q

G
|
G

I

I

G

G

A
|
A

G

G

F

F

I

V

P

P

A

D

N

T

L

F

D

D

L

R

D

S

V

V

I

V

D

D

R

E

V

I

E

L

K

S

V

V

T

T

N

D

E

D

E

E

S

A

L

I

D

E

F

T

A

A

R

R

R

K

L

L

A

A

K

M

E

E

G

G

L

I

L

S

S

C

G

G

I

I

S

S

C

C

G

G

A

A

V

M

A

A

V

G

A

A

A

L

R

K

L

V

A

A

E

R

A

P

E

E

F

F

S

A

G

G

K

K

N

T

I

I

V

V

V

T

I

V

L

L

P

P

D

D

S

A

G

G

E

E

R

R

Y

Y

L

L

S

S

S

T

V

A

L

L

F

F

D

E

binding : T72 (= T72), S73 (= S73), G74 (= G74), T76 (= T76), M123 (= M123), Q144 (= Q146), R218 (≠ P226), H219 (= H227), Q222 (= Q230), G223 (= G231), A226 (= A234)

P9WP55 O-acetylserine sulfhydrylase; OAS sulfhydrylase; OASS; Cysteine synthase A; CSase A; O-acetylserine (thiol)-lyase A; OAS-TL A; O-acetylserine-specific cysteine synthase; Sulfide-dependent cysteine synthase; EC 2.5.1.47 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
54% identity, 99% coverage: 3:318/318 of query aligns to 2:309/310 of P9WP55

query
sites
P9WP55

N

S

I

I

Y

A

T

E

D

D

N

I

S

T

L

Q

S

L

I

I

G

G

N

R

T

T

P

P

L

L

V

V

R

R

L

L

N

R

R

R

V

V

I

T

P

D

T

G

S

A

G

V

V

A

N

D

V

I

Y

V

A

A

K

K

I

L

E

E

G

F

R

F

N

N

P

P

G

A

Y

N

S

S

V

V

K
|
K

C

D

R

R

I

I

G

G

A

V

S

A

M

M

I

L

W

Q

D

A

A

A

I

E

K

Q

T

A

G

G

T

L

L

I

K

K

P

P

G

D

M

T

E

I

L

I

I

L

E

E

P

P

T

T

S

S

G

G

N
|
N

T

T

G

G

I

I

A

A

L

L

A

A

F

M

V

V

A

C

A

A

K

R

G

G

I

Y

P

R

L

C

T

V

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

L

E

E

R

R

R

M

V

L

L

L

K

R

A

A

L

Y

G

G

A

A

N

E

L

L

I

I

L

L

T

T

P

P

G

G

A

A

K

D

G

G

M

M

A

S

G

G

A

A

I

I

L

A

E

K

A

A

E

E

Q

E

I

L

A

A

N

K

S

T

K

D

P

-

E

Q

L

R

Y

Y

V

F

L

V

L

P

N

Q

Q

Q

F

F

K

E

N

N

P

P

A

A

N

N

P

P

A

A

I

I

H

H

E

R

Q

V

T

T

G

A

P

E

E

E

I

V

W

W

N

R

D

D

T

T

D

D

G

G

N

K

F

V

D

D

V

I

L

V

I

V

S

A

G

G

V

V

G
|
G

T
|
T

G
|
G

T
|
T

I

I

S

T

G

G

V

V

T

A

R

Q

Y

V

I

I

K

K

K

E

T

R

K

K

G

P

K

S

Q

A

I

R

I

F

S

-

V

V

A

A

V

V

E

E

P

P

T

A

D

A

S

S

P

P

V

V

I

L

S

S

Q

G

H

G

L

-

A

-

G

-

E

-

P

-

L

-

Q

Q

P

K

G

G

P

P

H

H

K

P

I

I

Q

Q

G

G

I

I

G

G

A

A

G

G

F

F

I

V

P

P

A

P

N

V

L

L

D

D

L

Q

D

D

V

L

I

V

D

D

R

E

V

I

E

I

K

T

V

V

T

G

N

N

E

E

E

D

S

A

L

L

D

N

F

V

A

A

R

R

L

L

A

A

K

R

E

E

G

G

L

L

S

V

G

G

I

I

S
|
S

C

S

G

G

A

A

V

T

A

V

V

A

A

A

A

L

R

Q

L

V

A

A

A

R

E

R

A

P

E

E

F

N

S

A

G

G

K

K

N

L

I

I

V

V

I

V

L

L

P

P

D

D

S

F

G

G

E

E

R

R

Y

Y

L

L

S

S

S

T

V

P

L

L

F

F

D

A

E

D

S

V

A

A

K44 (= K45) modified: N6-(pyridoxal phosphate)lysine
N74 (= N75) binding pyridoxal 5'-phosphate
GTGGT 178:182 (= GTGGT 180:184) binding pyridoxal 5'-phosphate
S266 (= S275) binding pyridoxal 5'-phosphate

2q3dA 2.2 a resolution crystal structure of o-acetylserine sulfhydrylase (oass) from mycobacterium tuberculosis in complex with the reaction intermediate alpha-aminoacrylate (see paper)
55% identity, 98% coverage: 3:314/318 of query aligns to 2:305/306 of 2q3dA

query
sites
2q3dA

N

S

I

I

Y

A

T

E

D

D

N

I

S

T

L

Q

S

L

I

I

G

G

N

R

T

T

P

P

L

L

V

V

R

R

L

L

N

R

R

R

V

V

I

T

P

D

T

G

S

A

G

V

V

A

N

D

V

I

Y

V

A

A

K

K

I

L

E

E

G

F

R

F

N

N

P

P

G

A

Y

N

S

S

V

V

K
|
K

C

D

R

R

I

I

G

G

A

V

S

A

M

M

I

L

W

Q

D

A

A

A

I

E

K

Q

T

A

G

G

T

L

L

I

K

K

P

P

G

D

M

T

E

I

L

I

I

L

E

E

P

P

T
|
T

S
|
S

G

G

N
|
N

T
|
T

G

G

I

I

A

A

L

L

A

A

F

M

V

V

A

C

A

A

K

R

G

G

I

Y

P

R

L

C

T

V

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

L

E

E

R

R

R

M

V

L

L

L

K

R

A

A

L

Y

G

G

A

A

N

E

L

L

I

I

L

L

T

T

P

P

G

G

A

A

K

D

G

G

M

M

A

S

G

G

A

A

I

I

L

A

E

K

A

A

E

E

Q

E

I

L

A

A

N

K

S

T

K

D

P

-

E

Q

L

R

Y

Y

V

F

L

V

L

P

N

Q

Q
|
Q

F

F

K

E

N

N

P

P

A

A

N

N

P

P

A

A

I

I

H

H

E

R

Q

V

T

T

G

A

P

E

E

E

I

V

W

W

N

R

D

D

T

T

D

D

G

G

N

K

F

V

D

D

V

I

L

V

I

V

S

A

G

G

V
|
V

G
|
G

T
|
T

G
|
G

G

G

T
|
T

I

I

S

T

G

G

V

V

T

A

R

Q

Y

V

I

I

K

K

K

E

T

R

K

K

G

P

K

S

Q

A

I

R

I

F

S

-

V

V

A

A

V

V

E

E

P

P

T

A

D

A

S

S

P

P

V

V

I

L

S

S

Q

G

H

G

L

-

A

-

G

-

E

-

P

-

L

-

Q

Q

P

K

G

G

P

P

H

H

K

P

I

I

Q

Q

G
|
G

I
|
I

G

G

A

A

G

G

F

F

I

V

P

P

A

P

N

V

L

L

D

D

L

Q

D

D

V

L

I

V

D

D

R

E

V

I

E

I

K

T

V

V

T

G

N

N

E

E

E

D

S

A

L

L

D

N

F

V

A

A

R

R

L

L

A

A

K

R

E

E

G

G

L

L

S

V

G

G

I

I

S
|
S

C

S

G

G

A

A

V

T

A

V

V

A

A

A

A

L

R

Q

L

V

A

A

A

R

E

R

A

P

E

E

F

N

S

A

G

G

K

K

N

L

I

I

V

V

I

V

L

L

P
|
P

D
|
D

S

F

G

G

E

E

R

R

Y

Y

L

L

S

S

S

T

V

P

L

L

F

F

active site: K44 (= K45), S266 (= S275), P293 (= P302)
binding 2-[(3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl)-amino]-propionic acid: K44 (= K45), T71 (= T72), S72 (= S73), N74 (= N75), T75 (= T76), Q144 (= Q146), V177 (= V179), G178 (= G180), T179 (= T181), G180 (= G182), T182 (= T184), G222 (= G231), I223 (= I232), S266 (= S275), P293 (= P302), D294 (= D303)

4lmaA Crystal structure analysis of o-acetylserine sulfhydrylase cysk1 from microcystis aeruginosa 7806 (see paper)
56% identity, 98% coverage: 3:315/318 of query aligns to 2:309/318 of 4lmaA

query
sites
4lmaA

N

R

I

I

Y

A

T

H

D

D

N

V

S

T

L

E

S

L

I

V

G

G

N

R

T

T

P

P

L

L

V

V

R

Q

L

L

N

N

R

R

V

I

I

P

P

Q

T

A

S

E

G

G

V

C

-

L

-

G

N

R

V

I

Y

V

A

M

K

K

I

L

E

E

G

G

R

M

N

N

P

P

G

A

Y

A

S

S

V

V

K
|
K

C

D

R

R

I

I

G

G

A

T

S

H

M

M

I

I

W

N

D

S

A

A

I

E

K

K

T

A

G

G

T

L

L

I

K

N

P

P

G

E

M

T

E

T

-

V

L

L

I

V

E

E

P

P

T

T

S

S

G

G

N
|
N

T

T

G

G

I

I

A

A

L

L

A

A

F

M

V

T

A

A

K

K

G

G

I

Y

P

R

L

L

T

I

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

L

E

E

R

R

R

A

V

M

L

L

K

K

A

A

L

Y

G

G

A

A

N

T

L

L

I

E

L

L

T

T

P

P

G

G

A

S

K

Q

G

G

M

M

A

K

G

G

A

A

I

I

L

L

E

R

A

A

E

Q

Q

Q

I

I

A

V

N

D

S

S

K

I

P

P

E

G

L

A

Y

Y

V

-

L

M

L

L

N

Q

Q

Q

F

F

K

R

N

N

P

P

A

S

N

N

P

P

A

E

I

I

H

H

E

R

Q

L

T

T

G

A

P

E

E

E

I

I

W

W

N

Q

D

D

T

T

D

E

G

G

N

Q

F

V

D

D

V

F

L

I

I

V

S

A

G

G

V

V

G
|
G

T
|
T

G
|
G

G

G

T
|
T

I

I

S

T

G

G

V

V

T

A

R

E

Y

V

I

I

K

K

K

S

T

R

K

K

G

P

K

S

Q

F

I

Q

I

V

S

-

V

V

A

A

V

V

E

E

P

P

T

F

D

N

S

S

P

P

V

V

I

I

S

S

Q

G

H

G

L

-

A

-

G

-

E

-

P

-

L

-

Q

N

P

P

G

G

P

P

H

H

K

K

I

I

Q

Q

G
|
G

I

I

G

G

A

A

G

G

F

F

I

I

P

P

A

E

N

V

L

L

D

R

L

T

D

D

V

L

I

I

D

D

R

E

V

V

E

I

K

T

V

V

T

S

N

D

E

E

S

A

L

F

D

Q

F

F

A

G

R

R

L

L

A

A

K

K

E

E

G

G

L

L

S

S

G

G

I

I

S
|
S

C

S

G

G

A

A

A

N

V

L

A

C

V

A

A

A

A

I

R

Q

L

L

A

A

A

Q

E

R

A

P

E

E

F

N

S

E

G

G

K

K

N

L

I

I

V

V

I

I

L

Q

P
|
P

D

S

S

F

G

G

E

E

R

R

Y

Y

L

L

S

S

S

T

V

L

L

M

F

F

D

Q

active site: K46 (= K45), S269 (= S275)
binding pyridoxal-5'-phosphate: K46 (= K45), N77 (= N75), G181 (= G180), T182 (= T181), G183 (= G182), T185 (= T184), G225 (= G231), S269 (= S275), P296 (= P302)

3zeiA Structure of the mycobacterium tuberculosis o-acetylserine sulfhydrylase (oass) cysk1 in complex with a small molecule inhibitor (see paper)
55% identity, 97% coverage: 3:309/318 of query aligns to 2:300/300 of 3zeiA

query
sites
3zeiA

N

S

I

I

Y

A

T

E

D

D

N

I

S

T

L

Q

S

L

I

I

G

G

N

R

T

T

P

P

L

L

V

V

R

R

L

L

N

R

R

R

V

V

I

T

P

D

T

G

S

A

G

V

V

A

N

D

V

I

Y

V

A

A

K

K

I

L

E

E

G

F

R

F

N

N

P

P

G

A

Y

N

S

S

V

V

K
|
K

C

D

R

R

I

I

G

G

A

V

S

A

M

M

I

L

W

Q

D

A

A

A

I

E

K

Q

T

A

G

G

T

L

L

I

K

K

P

P

G

D

M

T

E

I

L

I

I

L

E

E

P

P

T
|
T

S
|
S

G

G

N
|
N

T

T

G

G

I

I

A

A

L

L

A

A

F

M

V

V

A

C

A

A

K

R

G

G

I

Y

P

R

L

C

T

V

L

L

T

T

M

M

P

P

D

E

T

T

M

M

S

S

K

L

E

E

R

R

R

M

V

L

L

L

K

R

A

A

L

Y

G

G

A

A

N

E

L

L

I

I

L

L

T

T

P

P

G

G

A

A

K

D

G

G

M

M

A

S

G

G

A

A

I
|
I

L

A

E

K

A

A

E

E

Q

E

I

L

A

A

N

K

S

T

K

D

P

-

E

Q

L

R

Y

Y

V

F

L

V

L

P

N

Q

Q
|
Q

F
|
F

K

E

N

N

P

P

A

A

N

N

P

P

A

A

I

I

H

H

E

R

Q

V

T

T

G

A

P

E

E

E

I

V

W

W

N

R

D

D

T

T

D

D

G

G

N

K

F

V

D

D

V

I

L

V

I

V

S

A

G

G

V
|
V

G
|
G

T
|
T

G
|
G

G

G

T
|
T

I

I

S

T

G

G

V

V

T

A

R

Q

Y

V

I

I

K

K

K

E

T

R

K

K

G

P

K

S

Q

A

I

R

I

F

S

-

V

V

A

A

V

V

E

E

P

P

T

A

D

A

S

S

P

P

V

V

I

L

S

S

Q

G

H

G

L

-

A

-

G

-

E

-

P

-

L

-

Q

Q

P
x
K

G

G

P

P

H

H

K

P

I

I

Q

Q

G
|
G

I

I

G

G

A
|
A

G

G

F
|
F

I

V

P

P

A

P

N

V

L

L

D

D

L

Q

D

D

V

L

I

V

D

D

R

E

V

I

E

I

K

T

V

V

T

G

N

N

E

E

E

D

S

A

L

L

D

N

F

V

A

A

R

R

L

L

A

A

K

R

E

E

G

G

L

L

S

V

G

G

I

I

S
|
S

C

S

G

G

A

A

V

T

A

V

V

A

A

A

A

L

R

Q

L

V

A

A

A

R

E

R

A

P

E

E

F

N

S

A

G

G

K

K

N

L

I

I

V

V

I

V

L

L

P
|
P

D
|
D

S

F

G

G

E

E

R

R

Y

Y

L

L

active site: K44 (= K45), S266 (= S275), P293 (= P302)
binding 3-[(Z)-[(5Z)-5-[[2-(2-hydroxy-2-oxoethyloxy)phenyl]methylidene]-3-methyl-4-oxidanylidene-1,3-thiazolidin-2-ylidene]amino]benzoic acid: T71 (= T72), S72 (= S73), I126 (= I127), Q144 (= Q146), F145 (= F147), K215 (≠ P224), G222 (= G231), A225 (= A234), F227 (= F236)
binding pyridoxal-5'-phosphate: K44 (= K45), N74 (= N75), V177 (= V179), G178 (= G180), T179 (= T181), G180 (= G182), T182 (= T184), G222 (= G231), S266 (= S275), P293 (= P302), D294 (= D303)

2q3cA 2.1 a resolution crystal structure of o-acetylserine sulfhydrylase (oass) holoenzyme from mycobacterium tuberculosis in complex with the inhibitory peptide dfsi (