SitesBLAST

G85 (= G12) to R: in CBSD; loss of cystathionine beta-synthase activity; dbSNP:rs863223435
T87 (= T14) to N: in CBSD; decreased cystathionine beta-synthase activity; increased aggregation
L101 (vs. gap) to P: in CBSD; common mutation in Irish population; loss of activity; dbSNP:rs786204757
K102 (vs. gap) to N: in CBSD; associated in cis with R-78; decreased cystathionine beta-synthase activity; decreased homotetramer formation; dbSNP:rs786204609; to Q: in dbSNP:rs34040148
C109 (≠ A34) to R: in CBSD; loss of activity; dbSNP:rs778220779
A114 (≠ P39) to V: in CBSD; mild form; when linked with W-58 severe form; decreased cystathionine beta-synthase activity; decreases homotetramer formation by promoting formation of larger aggregates; dbSNP:rs121964964
K119 (= K44) modified: N6-(pyridoxal phosphate)lysine
R125 (≠ Y50) to Q: in CBSD; severe form; when linked with D-131 moderate form; loss of cystathionine beta-synthase activity; decreased homotetramer formation; dbSNP:rs781444670; to W: in CBSD; exhibits an activity lower than 4% of the wild-type enzyme; absent capacity to form multimeric quaternary structure; dbSNP:rs886057100
M126 (≠ I51) to V: in CBSD; loss of activity
E131 (= E56) to D: in CBSD; linked with Q-125; loss of activity; dbSNP:rs1555875351
G139 (= G64) to R: in CBSD; mild form; dbSNP:rs121964965
I143 (≠ V68) to M: in CBSD; 4% of activity; stable; dbSNP:rs370167302
E144 (= E69) to K: in CBSD; loss of cystathionine beta-synthase activity; impaired stimulation by AdoMet and AdoHcy; decreased homotetramer formation; dbSNP:rs121964966
G148 (= G73) to R: in CBSD; loss of cystathionine beta-synthase activity; impaired stimulation by AdoMet and AdoHcy; loss of homotetramer formation; dbSNP:rs755952006
N149 (= N74) binding pyridoxal 5'-phosphate
L154 (= L79) to Q: in CBSD; protein expression is comparable to wild-type; significant decrease of enzyme activity
A155 (= A80) to T: in CBSD; complete loss of activity; severely affects homotetramer formation by promoting formation of larger aggregates; dbSNP:rs1429138569; to V: in CBSD; protein expression is comparable to wild-type; significant decrease of enzyme activity
C165 (= C90) to Y: in CBSD; severe form; protein expression is comparable to wild-type; loss of cystathionine beta-synthase activity; no effect on homotetramer formation; dbSNP:rs1347651454
M173 (≠ Q98) to V: in CBSD; presents 40% of the wild-type activity; highly reduced capacity to form multimeric quaternary structure; natural variant: Missing (in CBSD; loss of activity)
E176 (≠ A101) to K: in CBSD; severe form; loss of cystathionine beta-synthase activity; inhibited by AdoMet; severely decreases homotetramer formation by promoting formation of larger aggregates; dbSNP:rs762065361
V180 (≠ L105) to A: in CBSD; decreased cystathionine beta-synthase activity; decreases homotetramer formation; dbSNP:rs1555875010
T191 (≠ V116) to M: in CBSD; moderate and severe forms; loss of cystathionine beta-synthase activity; absent capacity to form multimeric quaternary structure; dbSNP:rs121964973
K211 (≠ A135) modified: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO)
A226 (≠ V150) to T: in CBSD; presents 20% of the wild-type activity; dramatically reduced capacity to form multimeric quaternary structure; dbSNP:rs763835246
N228 (= N152) to K: in CBSD; loss of cystathionine beta-synthase activity; decreased homotetramer formation; dbSNP:rs1464223176; to S: in CBSD; has significantly decreased levels of enzyme activity; dbSNP:rs1555874803
A231 (= A155) to P: in CBSD; has significantly decreased levels of enzyme activity
D234 (≠ E158) to N: in CBSD; decreased cystathionine beta-synthase activity; changed localization; decreased interaction with pyridoxal 5'-phosphate; no effect on homotetramer formation; dbSNP:rs773734233; natural variant: Missing (in CBSD; protein expression is comparable to wild-type; significant decrease of enzyme activity)
GTGGT 256:260 (= GTGGT 180:184) binding pyridoxal 5'-phosphate
T257 (= T181) to M: in CBSD; moderate to severe form; protein expression is comparable to wild-type; significant decrease of enzyme activity; dbSNP:rs758236584
T262 (≠ A186) to M: in CBSD; moderate form; dbSNP:rs149119723; to R: in CBSD; severe form; loss of cystathionine beta-synthase activity; loss of homotetramer formation
R266 (= R190) to K: in CBSD; mild form; decreased cystathionine beta-synthase activity; decreased homotetramer formation; no effect on heme-binding; decreased stability; dbSNP:rs121964969
K269 (= K193) natural variant: Missing (in CBSD; loss of expression)
C272 (≠ D196) mutation to A: Reduced heme content and cystathionine beta-synthase activity.
C275 (≠ V199) to Y: in CBSD; severe form; exhibits an activity lower than 4% of the wild-type enzyme; absent capacity to form multimeric quaternary structure; mutation to S: Reduced heme content and cystathionine beta-synthase activity.
I278 (≠ A202) to S: in CBSD; loss of activity; to T: in CBSD; mild to severe form; common mutation; decreased expression; loss of cystathionine beta-synthase activity; impaired stimulation by AdoMet and AdoHcy; severely affects homotetramer formation by promoting formation of larger aggregates; dbSNP:rs5742905
D281 (= D205) to N: in CBSD; loss of activity
A288 (≠ Y212) to T: in CBSD; protein expression is comparable to wild-type; significant decrease of enzyme activity; dbSNP:rs141502207
E302 (≠ I227) to K: in CBSD; no effect on cystathionine beta-synthase activity; inhibited by AdoHcy and impaired activation by AdoMet; no effect on homotetramer formation; dbSNP:rs779270933
G305 (= G230) to R: in CBSD; loss of cystathionine beta-synthase activity; no effect on homotetramer formation
G307 (= G232) to S: in CBSD; moderate to severe form; linked with D-534; common mutation; loss of cystathionine beta-synthase activity; impaired stimulation by AdoMet and AdoHcy; no effect on homotetramer formation; dbSNP:rs121964962
V320 (≠ I245) to A: in CBSD; has 36% of wild-type enzyme activity; dbSNP:rs781567152
D321 (= D246) to V: in CBSD; loss of activity
R336 (≠ Y261) to C: in CBSD; protein expression is comparable to wild-type; loss of activity; absent capacity to form multimeric quaternary structure; dbSNP:rs398123151; to H: in CBSD; mild form; no effect on expression; exhibits an activity lower than 4% of the wild-type enzyme; altered stimulation by AdoMet; absent capacity to form multimeric quaternary structure; dbSNP:rs760417941
L338 (= L263) to P: in CBSD; severe form; exhibits an activity lower than 4% of the wild-type enzyme; absent capacity to form multimeric quaternary structure
G347 (= G272) to S: in CBSD; protein expression is comparable to wild-type; loss of activity; dbSNP:rs771298943
S349 (= S274) binding pyridoxal 5'-phosphate; to N: in CBSD; severe form; exhibits an activity lower than 4% of the wild-type enzyme; absent capacity to form multimeric quaternary structure
T353 (≠ N278) to M: in CBSD; protein expression is comparable to wild-type; significant decrease of enzyme activity; dbSNP:rs121964972
R369 (≠ T294) to C: in CBSD; when linked with C-491 severe form; decreased cystathionine beta-synthase activity; decreased homotetramer formation; dbSNP:rs117687681
D376 (= D301) to N: in CBSD; has significantly decreased levels of enzyme activity; dbSNP:rs1170128038
R379 (≠ E304) to Q: in CBSD; exhibits an activity lower than 4% of the wild-type enzyme; absent capacity to form multimeric quaternary structure; dbSNP:rs763036586
K384 (≠ R309) to E: in CBSD; severe form; dbSNP:rs121964967

Sites not aligning to the query:

18 R → C: results in 1/3 to 2/3 the enzyme activity of the wild-type; dbSNP:rs201827340
49 P → L: in CBSD; decreased expression; no effect on cystathionine beta-synthase activity; increased homotetramer formation; dbSNP:rs148865119
52 binding axial binding residue
58 R → W: in CBSD; linked with V-114; 18% of activity; dbSNP:rs555959266
65 binding axial binding residue; H → R: in CBSD; decreased cystathionine beta-synthase activity; inhibited by AdoMet and AdoHcy; decreased homotetramer formation; dbSNP:rs1191141364
69 A → P: in dbSNP:rs17849313
78 P → R: in CBSD; severe form; associated in cis with N-102; decreased cystathionine beta-synthase activity; decreased homotetramer formation; dbSNP:rs786204608
422 P → L: in CBSD; changed cystathionine beta-synthase activity; impaired stimulation by AdoMet; does not affect homotetramer formation; dbSNP:rs28934892
427 P → L: in CBSD; no effect on cystathionine beta-synthase activity; altered stimulation by AdoMet; dbSNP:rs863223434
435 I → T: in CBSD; no effect on cystathionine beta-synthase activity; impaired stimulation by AdoMet and AdoHcy; does not affect homotetramer formation
439 R → Q: in CBSD; no effect on cystathionine beta-synthase activity; increased homotetramer formation; dbSNP:rs756467921
444 D → N: in CBSD; decreased expression; no effect on cystathionine beta-synthase activity; altered stimulation by AdoMet; increased homotetramer formation; dbSNP:rs28934891
449 V → G: in CBSD; no effect on cystathionine beta-synthase activity; altered stimulation by AdoMet
456 L → P: in CBSD; severe; exhibits an activity lower than 4% of the wild-type enzyme; absent capacity to form multimeric quaternary structure
466 S → L: in CBSD; increased cystathionine beta-synthase activity; impaired stimulation by AdoMet and AdoHcy; decreased homotetramer formation; dbSNP:rs121964971
500 S → L: in CBSD; no effect on cystathionine beta-synthase activity; altered stimulation by AdoMet; dbSNP:rs755106884
526 Q → K: in CBSD; has significantly decreased levels of enzyme activity
539 L → S: in CBSD; loss of cystathionine beta-synthase activity; impaired stimulation by AdoMet and AdoHcy; loss of homotetramer formation; dbSNP:rs121964968
540 L → Q: in CBSD; no effect on cystathionine beta-synthase activity; altered stimulation by AdoMet
548 R → Q: presents 60% of the wild-type activity; highly reduced capacity to form multimeric quaternary structure; dbSNP:rs150828989

7qgtB Crystal structure of human cystathionine beta-synthase (delta516-525) in complex with aoaa. (see paper)
42% identity, 96% coverage: 11:322/324 of query aligns to 44:357/500 of 7qgtB

query
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binding protoporphyrin ix containing fe: A186 (≠ V150), P189 (≠ R153), L190 (= L154), Y193 (= Y157), R226 (= R190)
binding 4'-deoxy-4'-acetylyamino-pyridoxal-5'-phosphate: K79 (= K44), T106 (= T71), S107 (≠ A72), N109 (= N74), T110 (= T75), Q182 (= Q146), G216 (= G180), T217 (= T181), G218 (= G182), T220 (= T184), G265 (= G230), S309 (= S274), P335 (≠ C300), D336 (= D301)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 10, 11, 12, 13, 14, 23, 24, 25

1jbqA Structure of human cystathionine beta-synthase: a unique pyridoxal 5'- phosphate dependent hemeprotein (see paper)
42% identity, 96% coverage: 11:322/324 of query aligns to 42:348/348 of 1jbqA

query
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1jbqA

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active site: K77 (= K44), S105 (≠ A72), D232 (= D205), S236 (= S209), L238 (= L211), S300 (= S274), P326 (≠ C300)
binding protoporphyrin ix containing fe: A177 (≠ V150), P180 (≠ R153), L181 (= L154), Y184 (= Y157), R217 (= R190)
binding pyridoxal-5'-phosphate: K77 (= K44), N107 (= N74), V206 (≠ T179), G207 (= G180), T208 (= T181), G209 (= G182), G210 (= G183), T211 (= T184), G256 (= G230), S300 (= S274), P326 (≠ C300), D327 (= D301)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 9, 10, 11, 12, 16, 20, 21, 22, 23

P9WP51 Probable cystathionine beta-synthase Rv1077; Beta-thionase; Serine sulfhydrase; EC 4.2.1.22 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
42% identity, 99% coverage: 1:322/324 of query aligns to 1:317/464 of P9WP51

query
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P9WP51

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R

V

P

V

V

C

P

P

-

T

A

A

A

V

P

P

Y

P

K

H

D

D

P

P

N

A

N

S

Y

Y

Q

Y

K

S

I

V

A

S

G

D

R

R

L

L

A

V

R

R

E

D

L

I

D

D

N

G

A

A

I

W

W

K

S

P

N

D

Q

Q

F

Y

D

A

N

N

V

P

A

E

N

G

R

P

L

A

A

S

H

H

Y

Y

E

V

T

T

G

G

P

P

E

E

I

I

W

W

R

A

D

D

T

T

A

E

G

G

T

K

I

V

D

T

A

H

F

F

V

V

C

A

S

G

T

I

G

G

T

T

G

G

T

T

L

I

A

T

G

G

V

A

S

G

R

R

F

Y

L

L

K

K

E

E

-

V

Q

S

D

G

P

G

Q

R

V

V

R

R

I

I

A

V

L

G

A

A

D

D

P

P

H

E

G

G

S

S

G

-

L

V

Y

Y

S

S

Y

-

V

-

K

-

T

-

G

-

E

-

I

-

Q

-

V

-

E

-

G

G

S

G

S

A

-

G

-

R

-

P

-

Y

I

L

T

V

E

E

G

G

I

V

G

G

S

E

S

D

R

F

V

W

T

P

A

A

N

A

L

Y

E

D

G

P

T

S

A

V

I

P

D

D

D

E

A

I

F

I

R

A

I

V

D

S

D

D

Q

S

S

D

C

S

V

F

T

D

M

M

V

T

Y

R

R

R

L

L

L

A

R

R

E

E

G

A

L

M

Y

L

V

V

G

G

S

S

T

C

G

G

I

M

N

A

V

V

A

V

A

A

V

L

A

K

L

V

A

A

R

E

Q

E

M

A

G

G

P

P

G

D

H

A

T

L

I

I

V

V

T

V

P

L

L

L

C

P

D

D

R

G

G

G

E

R

L

G

Y

Y

R

M

A

S

R

K

L

I

F

F

N

N

P

D

E

A

W

W

L

M

A

S

Q

S

K

Y

G

G

L

F

V

L

Sites not aligning to the query:

428 modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

7xoyA Cystathionine beta-synthase of mycobacterium tuberculosis in the presence of s-adenosylmethionine and serine. (see paper)
41% identity, 99% coverage: 3:322/324 of query aligns to 1:315/458 of 7xoyA

query
sites
7xoyA

V

I

H

A

Q

Q

G

H

F

I

T

S

G

E

C

L

I

I

G

G

D

G

T

T

P

P

L

L

I

V

R

R

L

L

A

N

A

S

L

V

S

V

A

P

E

D

T

G

G

A

C

G

E

T

I

V

L

A

G

A

K

K

A

V

E

E

F

Y

M

L

N

N

P

P

G

G

S

S

V

S

K
|
K

D

D

R

R

A

I

A

A

L

V

Y

K

I

M

I

I

L

E

D

A

A

A

E

E

R

A

R

S

G

G

A

Q

L

L

K

K

P

P

G

G

T

T

V

I

V

V

E

E

G

P

T

T

A
x
S

G

G

N
|
N

T
|
T

G

G

I

V

G

G

L

L

A

A

H

L

L

V

C

A

A

Q

A

R

R

R

G

G

Y

Y

R

K

C

C

V

V

I

F

V

V

I

C

P

P

D

D

T

K

Q

V

S

S

P

E

A

D

K

K

M

R

E

N

L

V

L

L

R

I

V

A

L

Y

G

G

A

A

E

E

V

V

R

V

P

V

V

C

P

P

-

T

A

A

A

V

P

P

Y

P

K

H

D

D

P

P

N

A

N

S

Y

Y

Q

Y

K

S

I

V

A

S

G

D

R

R

L

L

A

V

R

R

E

D

L

I

D

D

N

G

A

A

I

W

W

K

S

P

N

D

Q

Q

F

Y

D

A

N

N

V

P

A

E

N

G

R

P

L

A

A

S

H

H

Y

Y

E

V

T

T

G

G

P

P

E

E

I

I

W

W

R

A

D

D

T

T

A

E

G

G

T

K

I

V

D

T

A

H

F

F

V

V

C

A

S

G

T

I

G

G

T
|
T

G

G

G
|
G

T
|
T

L

I

A

T

G

G

V

A

S

G

R

R

F

Y

L

L

K

K

E

E

-

V

Q

S

D

G

P

G

Q

R

V

V

R

R

I

I

A

V

L

G

A

A

D

D

P

P

H

E

G

G

S

S

G

-

L

V

Y

Y

S

S

Y

-

V

-

K

-

T

-

G

-

E

-

I

-

Q

-

V

-

E

-

G

G

S

G

S

A

-

G

-

R

-

P

-

Y

I

L

T

V

E

E

G

G

I

V

G

G

S

E

S

D

R

F

V

W

T

P

A

A

N

A

L

Y

E

D

G

P

T

S

A

V

I

P

D

D

D

E

A

I

F

I

R

A

I

V

D

S

D

D

Q

S

S

D

C

S

V

F

T

D

M

M

V

T

Y

R

R

R

L

L

L

A

R

R

E

E

G

A

L

M

Y

L

V

V

G

G

S
|
S

T

C

G

G

I

M

N

A

V

V

A

V

A

A

V

L

A

K

L

V

A

A

R

E

Q

E

M

A

G

G

P

P

G

D

H

A

T

L

I

I

V

V

T

V

P

L

L

L

C
x
P

D

D

R

G

G

G

E

R

L

G

Y

Y

R

M

A

S

R

K

L

I

F

F

N

N

P

D

E

A

W

W

L

M

A

S

Q

S

K

Y

G

G

L

F

V

L

binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine: K42 (= K44), S70 (≠ A72), N72 (= N74), T73 (= T75), T180 (= T181), G182 (= G183), T183 (= T184), S267 (= S274), P293 (≠ C300)

7xnzB Native cystathionine beta-synthase of mycobacterium tuberculosis. (see paper)
41% identity, 99% coverage: 3:322/324 of query aligns to 1:315/458 of 7xnzB

query
sites
7xnzB

V

I

H

A

Q

Q

G

H

F

I

T

S

G

E

C

L

I

I

G

G

D

G

T

T

P

P

L

L

I

V

R

R

L

L

A

N

A

S

L

V

S

V

A

P

E

D

T

G

G

A

C

G

E

T

I

V

L

A

G

A

K

K

A

V

E

E

F

Y

M

L

N

N

P

P

G

G

S

S

V

S

K
|
K

D

D

R

R

A

I

A

A

L

V

Y

K

I

M

I

I

L

E

D

A

A

A

E

E

R

A

R

S

G

G

A

Q

L

L

K

K

P

P

G

G

T

T

V

I

V

V

E

E

G

P

T

T

A

S

G

G

N

N

T

T

G

G

I

V

G

G

L

L

A

A

H

L

L

V

C

A

A

Q

A

R

R

R

G

G

Y

Y

R

K

C

C

V

V

I

F

V

V

I

C

P

P

D

D

T

K

Q

V

S

S

P

E

A

D

K

K

M

R

E

N

L

V

L

L

R

I

V

A

L

Y

G

G

A

A

E

E

V

V

R

V

P

V

V

C

P

P

-

T

A

A

A

V

P

P

Y

P

K

H

D

D

P

P

N

A

N

S

Y

Y

Q

Y

K

S

I

V

A

S

G

D

R

R

L

L

A

V

R

R

E

D

L

I

D

D

N

G

A

A

I

W

W

K

S

P

N

D

Q

Q

F

Y

D

A

N

N

V

P

A

E

N

G

R

P

L

A

A

S

H

H

Y

Y

E

V

T

T

G

G

P

P

E

E

I

I

W

W

R

A

D

D

T

T

A

E

G

G

T

K

I

V

D

T

A

H

F

F

V

V

C

A

S

G

T

I

G
|
G

T
|
T

G
|
G

T
|
T

L

I

A

T

G

G

V

A

S

G

R

R

F

Y

L

L

K

K

E

E

-

V

Q

S

D

G

P

G

Q

R

V

V

R

R

I

I

A

V

L

G

A

A

D

D

P

P

H

E

G

G

S

S

G

-

L

V

Y

Y

S

S

Y

-

V

-

K

-

T

-

G

-

E

-

I

-

Q

-

V

-

E

-

G

G

S

G

S

A

-

G

-

R

-

P

-

Y

I

L

T

V

E

E

G

G

I

V

G

G

S

E

S

D

R

F

V

W

T

P

A

A

N

A

L

Y

E

D

G

P

T

S

A

V

I

P

D

D

D

E

A

I

F

I

R

A

I

V

D

S

D

D

Q

S

S

D

C

S

V

F

T

D

M

M

V

T

Y

R

R

R

L

L

L

A

R

R

E

E

G

A

L

M

Y

L

V

V

G

G

S
|
S

T

C

G

G

I

M

N

A

V

V

A

V

A

A

V

L

A

K

L

V

A

A

R

E

Q

E

M

A

G

G

P

P

G

D

H

A

T

L

I

I

V

V

T

V

P

L

L

L

C
x
P

D
|
D

R

G

G

G

E

R

L

G

Y

Y

R

M

A

S

R

K

L

I

F

F

N

N

P

D

E

A

W

W

L

M

A

S

Q

S

K

Y

G

G

L

F

V

L

binding pyridoxal-5'-phosphate: K42 (= K44), G179 (= G180), T180 (= T181), G181 (= G182), G182 (= G183), T183 (= T184), S267 (= S274), P293 (≠ C300), D294 (= D301)

6xwlC Cystathionine beta-synthase from toxoplasma gondii (see paper)
39% identity, 96% coverage: 11:321/324 of query aligns to 16:329/477 of 6xwlC

query
sites
6xwlC

I

I

G

G

D

N

T

T

P

P

L

M

I

V

R

R

L

M

A

K

A

R

L

L

S

A

A

K

E

V

T

Y

G

G

-

L

-

E

C

C

E

D

I

L

L

L

G

A

K

K

A

C

E

E

F

F

M

M

N

S

P

A

G

G

S

S

V

V

K
|
K

D

D

R

R

A

I

A

G

L

K

Y

A

I

M

I

V

L

E

D

K

A

A

E

E

R

R

R

E

G

G

A

R

L

L

K

K

P

A

G

G

G

D

T

T

V

L

V

I

E

E

G

P

T

T

A

S

G

G

N
|
N

T

T

G

G

I

I

G

G

L

L

A

A

H

L

L

A

C

A

A

A

A

V

R

R

G

G

Y

Y

R

R

C

M

V

I

I

V

V

T

I

M

P

P

D

A

T

K

Q

M

S

S

P

A

A

E

K

K

M

S

E

N

L

I

L

M

R

K

V

C

L

L

G

G

A

A

E

E

V

I

R

V

P

R

V

T

P

P

A

T

-

E

A

A

P

A

Y

W

K

N

D

D

P

E

N

N

N

S

Y

H

Q

M

K

G

I

V

A

A

G

A

R

K

L

L

A

Q

R

R

E

E

L

L

D

E

N

N

A

A

I

H

W

I

S

L

N

D

Q

Q

F

Y

D

N

N

N

V

T

A

A

N

N

R

P

L

M

A

V

H

H

Y

Y

E

D

T

V

T

T

G

A

P

E

E

E

I

I

W

I

R

T

D

Q

T

C

A

D

G

G

T

D

I

I

D

D

A

M

F

V

V

V

C

I

S

G

T

A

G
|
G

T
|
T

G
|
G

G

G

T
|
T

L

I

A

T

G

G

V

I

S

G

R

R

F

K

L

I

K

K

E

E

Q

R

D

C

P

P

Q

K

V

C

R

K

I

V

A

V

L

G

A

V

D

D

P

P

H

K

G

G

S

S

G

I

L

L

Y

A

S

V

Y

P

V

D

K

S

T

L

G

N

E

D

I

E

Q

K

V

R

E

L

G

Q

S

S

S

Y

I

E

T

V

E

E

G
|
G

I

I

G

G

S

Y

S

D

R

F

V

V

T

P

A

G

N

V

L

L

E

D

G

R

T

K

A

V

I

V

D

D

D

E

A

W

F

V

R

K

I

V

D

G

D

D

Q

A

S

E

C

S

V

F

T

T

M

T

V

A

Y

R

R

A

L

I

R

R

E

N

E

E

G

G

L

L

Y

F

V

V

G

G

S
|
S

T

S

G

G

I

A

N

N

V

V

A

W

A

G

A

A

V

L

A

Q

L

A

A

A

R

R

Q

Q

M

L

G

K

P

K

G

G

H

Q

T

K

I

C

V

V

T

V

P

L

L

L

C
x
P

D
|
D

R

S

G

S

E

R

L

N

Y

Y

R

M

A

S

R

K

L

F

F

I

N

S

P

D

E

E

W

W

L

M

A

A

Q

E

K

H

G

G

L

F

binding pyridoxal-5'-phosphate: K51 (= K44), N81 (= N74), G188 (= G180), T189 (= T181), G190 (= G182), T192 (= T184), G238 (= G230), S282 (= S274), P308 (≠ C300), D309 (= D301)

6xylA Crystal structure of delta466-491 cystathionine beta-synthase from toxoplasma gondii with l-serine (see paper)
39% identity, 96% coverage: 11:321/324 of query aligns to 16:329/468 of 6xylA

query
sites
6xylA

I

I

G

G

D

N

T

T

P

P

L

M

I

V

R

R

L

M

A

K

A

R

L

L

S

A

A

K

E

V

T

Y

G

G

-

L

-

E

C

C

E

D

I

L

L

L

G

A

K

K

A

C

E

E

F

F

M

M

N

S

P

A

G

G

S

S

V

V

K
|
K

D

D

R

R

A

I

A

G

L

K

Y

A

I

M

I

V

L

E

D

K

A

A

E

E

R

R

R

E

G

G

A

R

L

L

K

K

P

A

G

G

G

D

T

T

V

L

V

I

E

E

G

P

T

T

A

S

G

G

N

N

T
|
T

G

G

I

I

G

G

L

L

A

A

H

L

L

A

C

A

A

A

A

V

R

R

G

G

Y

Y

R

R

C

M

V

I

I

V

V

T

I

M

P

P

D

A

T

K

Q

M

S

S

P

A

A

E

K

K

M

S

E

N

L

I

L

M

R

K

V

C

L

L

G

G

A

A

E

E

V

I

R

V

P

R

V

T

P

P

A

T

-

E

A

A

P

A

Y

W

K

N

D

D

P

E

N

N

N

S

Y

H

Q

M

K

G

I

V

A

A

G

A

R

K

L

L

A

Q

R

R

E

E

L

L

D

E

N

N

A

A

I

H

W

I

S

L

N

D

Q
|
Q

F

Y

D

N

N

N

V

T

A

A

N

N

R

P

L

M

A

V

H

H

Y

Y

E

D

T

V

T

T

G

A

P

E

E

E

I

I

W

I

R

T

D

Q

T

C

A

D

G

G

T

D

I

I

D

D

A

M

F

V

V

V

C

I

S

G

T

A

G
|
G

T
|
T

G
|
G

G

G

T
|
T

L

I

A

T

G

G

V

I

S

G

R

R

F

K

L

I

K

K

E

E

Q

R

D

C

P

P

Q

K

V

C

R

K

I

V

A

V

L

G

A

V

D

D

P

P

H

K

G

G

S

S

G

I

L

L

Y

A

S

V

Y

P

V

D

K

S

T

L

G

N

E

D

I

E

Q

K

V

R

E

L

G

Q

S

S

S

Y

I

E

T

V

E

E

G
|
G

I
|
I

G

G

S
x
Y

S

D

R

F

V

V

T

P

A

G

N

V

L

L

E

D

G

R

T

K

A

V

I

V

D

D

D

E

A

W

F

V

R

K

I

V

D

G

D

D

Q

A

S

E

C

S

V

F

T

T

M

T

V

A

Y

R

R

A

L

I

R

R

E

N

E

E

G

G

L

L

Y

F

V

V

G

G

S
|
S

T

S

G

G

I

A

N

N

V

V

A

W

A

G

A

A

V

L

A

Q

L

A

A

A

R

R

Q

Q

M

L

G

K

P

K

G

G

H

Q

T

K

I

C

V

V

T

V

P

L

L

L

C
x
P

D
|
D

R

S

G

S

E

R

L

N

Y

Y

R

M

A

S

R

K

L

F

F

I

N

S

P

D

E

E

W

W

L

M

A

A

Q

E

K

H

G

G

L

F

binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: K51 (= K44), T82 (= T75), Q154 (= Q146), G188 (= G180), T189 (= T181), G190 (= G182), T192 (= T184), G238 (= G230), I239 (= I231), Y241 (≠ S233), S282 (= S274), P308 (≠ C300), D309 (= D301)

3pc4A Full length structure of cystathionine beta-synthase from drosophila in complex with serine (see paper)
40% identity, 96% coverage: 11:321/324 of query aligns to 47:359/504 of 3pc4A

query
sites
3pc4A

I

I

G

G

D

C

T

T

P

P

L

L

I

V

R

K

L

L

A

N

L

I

S

P

A

A

E

S

T

D

G

G

-

I

-

E

C

C

E

E

I

M

L

Y

G

A

K

K

A

C

E

E

F

F

M

L

N

N

P

P

G

G

S

S

V

V

K
|
K

D

D

R

R

A

I

A

G

L

Y

Y

R

I

M

I

V

L

Q

D

D

A

A

E

E

R

E

R

Q

G

G

A

L

L

L

K

K

P

P

G

G

G

Y

T

T

V

I

E

E

G

P

T
|
T

A
x
S

G

G

N
|
N

T
|
T

G

G

I

I

G

G

L

L

A

A

H

M

L

A

C

C

A

A

A

V

R

K

G

G

Y

Y

R

K

C

C

V

I

I

I

V

V

I

M

P

P

D

E

T

K

Q

M

S

S

P

N

A

E

K

K

M

V

E

S

L

A

L

L

R

R

V

T

L

L

G

G

A

A

E

K

V

I

R

I

P

R

V

T

P

P

A

T

-

E

A

A

P

A

Y

Y

K

D

D

S

P

P

N

E

N

G

Y

L

Q

I

K

Y

I

V

A

A

G

Q

R

Q

L

L

A

Q

R

R

E

E

L

T

D

P

N

N

A

S

I

I

W

V

S

L

N

D

Q
|
Q

F

Y

D

R

N

N

V
x
A

A

G

N

N

R
x
P

L
|
L

A

A

H

H

Y
|
Y

E

D

T

G

T

T

G

A

P

A

E

E

I

I

W

L

R

W

D

Q

T

L

A

D

G

N

T

K

I

V

D

D

A

M

F

I

V

V

C

V

S

S

T
x
A

G
|
G

T
|
T

G
x
A

G

G

T
|
T

L

I

A

S

G

G

V

I

S

G

R
|
R

F

K

L

I

K

K

E

E

Q

Q

D

V

P

P

Q

S

V

C

R

Q

I

I

A

V

L

G

A

V

D

D

P

P

H

Y

G

G

S

S

G

I

L

L

Y

A

S

R

Y

P

V

A

K

E

T

L

G

N

E

K

I

T

Q

D

V

V

E

Q

G

F

S

Y

S

E

I

V

T

-

E

E

G
|
G

I
|
I

G

G

S
x
Y

S

D

R

F

V

P

T

P

A
x
T

N

V

L

F

E

D

G

D

T

T

A

V

I

V

D

D

D

V

A

W

F

T

R

K

I

I

D

G

D

D

Q

S

S

D

C

C

V

F

T

P

M

M

V

S

Y

R

R

R

L

L

L

N

R

A

E

E

G

G

L

L

Y

L

V

C

G

G

S
|
S

T

S

G

G

I

G

N

A

V

M

A

H

A

A

V

L

A

E

L

H

A

A

R

R

Q

K

M

L

G

K

P

K

G

G

H

Q

T

R

I

C

V

V

T

V

P

I

L

L

C
x
P

D
|
D

R

G

G

I

E

R

L

N

Y

Y

R

M

A

T

R

K

L

F

F

V

N

S

P

D

E

N

W

W

L

M

A

E

Q

A

K

R

G

N

L

F

active site: K82 (= K44), S312 (= S274)
binding protoporphyrin ix containing fe: A189 (≠ V150), P192 (≠ R153), L193 (= L154), Y196 (= Y157), R229 (= R190), T276 (≠ A238)
binding (E)-N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methylidene)-L-serine: K82 (= K44), T109 (= T71), S110 (≠ A72), N112 (= N74), T113 (= T75), Q185 (= Q146), A218 (≠ T179), G219 (= G180), T220 (= T181), A221 (≠ G182), T223 (= T184), G268 (= G230), I269 (= I231), Y271 (≠ S233), S312 (= S274), P338 (≠ C300), D339 (= D301)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 14, 15, 16, 17, 18, 26, 27, 28

3pc3A Full length structure of cystathionine beta-synthase from drosophila in complex with aminoacrylate (see paper)
40% identity, 96% coverage: 11:321/324 of query aligns to 47:359/504 of 3pc3A

query
sites
3pc3A

I

I

G

G

D

C

T

T

P

P

L

L

I

V

R

K

L

L

A

N

L

I

S

P

A

A

E

S

T

D

G

G

-

I

-

E

C

C

E

E

I

M

L

Y

G

A

K

K

A

C

E

E

F

F

M

L

N

N

P

P

G

G

S

S

V

V

K
|
K

D

D

R

R

A

I

A

G

L

Y

Y

R

I

M

I

V

L

Q

D

D

A

A

E

E

R

E

R

Q

G

G

A

L

L

L

K

K

P

P

G

G

G

Y

T

T

V

I

E

E

G

P

T
|
T

A
x
S

G

G

N
|
N

T
|
T

G

G

I

I

G

G

L

L

A

A

H

M

L

A

C

C

A

A

A

V

R

K

G

G

Y

Y

R

K

C

C

V

I

I

I

V

V

I

M

P

P

D

E

T

K

Q

M

S

S

P

N

A

E

K

K

M

V

E

S

L

A

L

L

R

R

V

T

L

L

G

G

A

A

E

K

V

I

R

I

P

R

V

T

P

P

A

T

-

E

A

A

P

A

Y

Y

K

D

D

S

P

P

N

E

N

G

Y

L

Q

I

K

Y

I

V

A

A

G

Q

R

Q

L

L

A

Q

R

R

E

E

L

T

D

P

N

N

A

S

I

I

W

V

S

L

N

D

Q
|
Q

F

Y

D

R

N

N

V
x
A

A

G

N

N

R
x
P

L
|
L

A

A

H

H

Y
|
Y

E

D

T

G

T

T

G

A

P

A

E

E

I

I

W

L

R

W

D

Q

T

L

A

D

G

N

T

K

I

V

D

D

A

M

F

I

V

V

C

V

S

S

T
x
A

G
|
G

T
|
T

G
x
A

G

G

T
|
T

L

I

A

S

G

G

V

I

S

G

R
|
R

F

K

L

I

K

K

E

E

Q

Q

D

V

P

P

Q

S

V

C

R

Q

I

I

A

V

L

G

A

V

D

D

P

P

H

Y

G

G

S

S

G

I

L

L

Y

A

S

R

Y

P

V

A

K

E

T

L

G

N

E

K

I

T

Q

D

V

V

E

Q

G

F

S

Y

S

E

I

V

T

-

E

E

G
|
G

I
|
I

G

G

S

Y

S

D

R

F

V

P

T

P

A

T

N

V

L

F

E

D

G

D

T

T

A

V

I

V

D

D

D

V

A

W

F

T

R

K

I

I

D

G

D

D

Q

S

S

D

C

C

V

F

T

P

M

M

V

S

Y

R

R

R

L

L

L

N

R

A

E

E

G

G

L

L

Y

L

V

C

G

G

S
|
S

T

S

G

G

I

G

N

A

V

M

A

H

A

A

V

L

A

E

L

H

A

A

R

R

Q

K

M

L

G

K

P

K

G

G

H

Q

T

R

I

C

V

V

T

V

P

I

L

L

C
x
P

D
|
D

R

G

G

I

E

R

L

N

Y

Y

R

M

A

T

R

K

L

F

F

V

N

S

P

D

E

N

W

W

L

M

A

E

Q

A

K

R

G

N

L

F

active site: K82 (= K44), S312 (= S274)
binding protoporphyrin ix containing fe: A189 (≠ V150), P192 (≠ R153), L193 (= L154), Y196 (= Y157), R229 (= R190)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: K82 (= K44), T109 (= T71), S110 (≠ A72), N112 (= N74), T113 (= T75), Q185 (= Q146), A218 (≠ T179), G219 (= G180), T220 (= T181), A221 (≠ G182), T223 (= T184), G268 (= G230), I269 (= I231), S312 (= S274), P338 (≠ C300), D339 (= D301)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 14, 15, 16, 17, 18, 26, 27, 28

3pc2A Full length structure of cystathionine beta-synthase from drosophila (see paper)
40% identity, 96% coverage: 11:321/324 of query aligns to 45:357/500 of 3pc2A

query
sites
3pc2A

I

I

G

G

D

C

T

T

P

P

L

L

I

V

R

K

L

L

A

N

L

I

S

P

A

A

E

S

T

D

G

G

-

I

-

E

C

C

E

E

I

M

L

Y

G

A

K

K

A

C

E

E

F

F

M

L

N

N

P

P

G

G

S

S

V

V

K
|
K

D

D

R

R

A

I

A

G

L

Y

Y

R

I

M

I

V

L

Q

D

D

A

A

E

E

R

E

R

Q

G

G

A

L

L

L

K

K

P

P

G

G

G

Y

T

T

V

I

E

E

G

P

T

T

A

S

G

G

N
|
N

T

T

G

G

I

I

G

G

L

L

A

A

H

M

L

A

C

C

A

A

A

V

R

K

G

G

Y

Y

R

K

C

C

V

I

I

I

V

V

I

M

P

P

D

E

T

K

Q

M

S

S

P

N

A

E

K

K

M

V

E

S

L

A

L

L

R

R

V

T

L

L

G

G

A

A

E

K

V

I

R

I

P

R

V

T

P

P

A

T

-

E

A

A

P

A

Y

Y

K

D

D

S

P

P

N

E

N

G

Y

L

Q

I

K

Y

I

V

A

A

G

Q

R

Q

L

L

A

Q

R

R

E

E

L

T

D

P

N

N

A

S

I

I

W

V

S

L

N

D

Q

Q

F

Y

D

R

N

N

V
x
A

A

G

N

N

R
x
P

L
|
L

A

A

H

H

Y
|
Y

E

D

T

G

T

T

G

A

P

A

E

E

I

I

W

L

R

W

D

Q

T

L

A

D

G

N

T

K

I

V

D

D

A

M

F

I

V

V

C

V

S

S

T
x
A

G
|
G

T
|
T

G
x
A

G

G

T
|
T

L

I

A

S

G

G

V

I

S

G

R
|
R

F

K

L

I

K

K

E

E

Q

Q

D

V

P

P

Q

S

V

C

R

Q

I

I

A

V

L

G

A

V

D

D

P

P

H

Y

G

G

S

S

G

I

L

L

Y

A

S

R

Y

P

V

A

K

E

T

L

G

N

E

K

I

T

Q

D

V

V

E

Q

G

F

S

Y

S

E

I

V

T

-

E

E

G
|
G

I

I

G

G

S

Y

S

D

R

F

V

P

T

P

A

T

N

V

L

F

E

D

G

D

T

T

A

V

I

V

D

D

D

V

A

W

F

T

R

K

I

I

D

G

D

D

Q

S

S

D

C

C

V

F

T

P

M

M

V

S

Y

R

R

R

L

L

L

N

R

A

E

E

G

G

L

L

Y

L

V

C

G

G

S
|
S

T

S

G

G

I

G

N

A

V

M

A

H

A

A

V

L

A

E

L

H

A

A

R

R

Q

K

M

L

G

K

P

K

G

G

H

Q

T

R

I

C

V

V

T

V

P

I

L

L

C
x
P

D
|
D

R

G

G

I

E

R

L

N

Y

Y

R

M

A

T

R

K

L

F

F

V

N

S

P

D

E

N

W

W

L

M

A

E

Q

A

K

R

G

N

L

F

active site: K80 (= K44), S310 (= S274)
binding protoporphyrin ix containing fe: A187 (≠ V150), P190 (≠ R153), L191 (= L154), Y194 (= Y157), R227 (= R190)
binding pyridoxal-5'-phosphate: K80 (= K44), N110 (= N74), A216 (≠ T179), G217 (= G180), T218 (= T181), A219 (≠ G182), T221 (= T184), G266 (= G230), S310 (= S274), P336 (≠ C300), D337 (= D301)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 12, 13, 14, 15, 16, 24, 25, 26

Q2V0C9 Cystathionine beta-synthase; EC 4.2.1.22 from Apis mellifera (Honeybee) (see paper)
40% identity, 96% coverage: 11:322/324 of query aligns to 43:355/504 of Q2V0C9

query
sites
Q2V0C9

I

I

G

G

D

Q

T

T

P

P

L

L

I

I

R

K

L

L

A

N

L

I

S

P

A

K

E

S

T

Y

G

G

-

I

-

K

C

C

E

E

I

I

L

Y

G

A

K

K

A

C

E

E

F

F

M

L

N

N

P

P

G

G

S

S

V

V

K
|
K

D

D

R

R

A

I

A

A

L

Y

Y

R

I

M

I

I

L

Q

D

D

A

A

E

E

R

D

R

K

G

G

A

L

L

L

K

K

P

P

G

G

G

C

T

T

V

I

E

E

G

P

T

T

A

S

G

G

N
|
N

T

T

G

G

I

I

G

G

L

L

A

A

H

M

L

A

C

A

A

A

A

V

R

R

G

G

Y

Y

R

K

C

C

V

I

I

I

V

V

I

M

P

P

D

E

T

K

Q

M

S

S

P

D

A

E

K

K

M

I

E

S

L

T

L

L

R

Y

V

A

L

L

G

G

A

A

E

K

V

I

R

I

P

R

V

T

P

P

A

T

-

E

A

A

P

S

Y

W

K

H

D

S

P

P

N

E

N

A

Y

H

Q

I

K

S

I

V

A

A

G

Q

R

K

L

L

A

Q

R

K

E

E

L

I

D

P

N

N

A

S

I

I

W

I

S

L

N

D

Q

Q

F

Y

D

T

N

N

V

P

A

G

N

N

R

P

L

L

A

A

H

H

Y

Y

E

D

T

Q

T

T

G

A

P

I

E

E

I

I

W

W

R

K

D

Q

T

C

A

E

G

G

T

K

I

I

D

D

A

Y

F

L

V

V

C

A

S

G

T

A

G
|
G

T
|
T

G
|
G

T
|
T

L

I

A

S

G

G

V

I

S

G

R

R

F

K

L

L

K

K

E

E

Q

L

D

S

P

P

Q

N

V

I

R

K

I

I

A

I

L

A

A

V

D

D

P

P

H

K

G

G

S

S

G

I

L

L

Y

D

S

P

Y

-

V

-

K

-

T

S

G

S

E

D

I

S

Q

Q

V

N

E

E

-

V

G

G

S

F

S

Y

I

E

T

V

E

E

G

G

I

I

G

G

S

Y

S

D

R

F

V

I

T

P

A

T

N

V

L

L

E

D

G

R

T

N

A

V

I

I

D

D

D

K

A

W

F

I

R

K

I

T

D

E

D

D

Q

N

S

E

C

S

V

L

T

N

M

A

V

A

Y

R

R

M

L

L

L

I

R

R

E

Q

E

E

G

G

L

L

Y

L

V

C

G

G

S
|
S

T

S

G

G

I

A

N

A

V

L

A

I

A

A

V

L

A

K

L

I

A

A

R

K

Q

D

M

I

G

P

P

E

G

E

H

K

T

R

I

M

V

V

T

I

P

I

L

L

C

P

D

D

R

G

G

I

E

R

L

N

Y

Y

R

L

A

T

R

K

L

F

F

V

N

S

P

E

E

Y

W

W

L

M

A

E

Q

T

K

R

G

G

L

F

V

L

K78 (= K44) modified: N6-(pyridoxal phosphate)lysine
N108 (= N74) binding pyridoxal 5'-phosphate
GTGGT 215:219 (= GTGGT 180:184) binding pyridoxal 5'-phosphate
S307 (= S274) binding pyridoxal 5'-phosphate

Sites not aligning to the query:

12 binding axial binding residue
23 binding axial binding residue

5ohxA Structure of active cystathionine b-synthase from apis mellifera (see paper)
40% identity, 96% coverage: 11:322/324 of query aligns to 39:348/488 of 5ohxA

query
sites
5ohxA

I

I

G

G

D

Q

T

T

P

P

L

L

I

I

R

K

L

L

A

N

L

I

S

P

A

K

E

S

T

Y

G

G

-

I

-

K

C

C

E

E

I

I

L

Y

G

A

K

K

A

C

E

E

F

F

M

L

N

N

P

P

G

G

S

S

V

V

K
|
K

D

D

R

R

A

I

A

A

L

Y

Y

R

I

M

I

I

L

Q

D

D

A

A

E

E

R

D

R

K

G

G

A

L

L

L

K

K

P

P

G

G

G

C

T

T

V

I

E

E

G

P

T

T

A

S

G

G

N
|
N

T

T

G

G

I

I

G

G

L

L

A

A

H

M

L

A

C

A

A

A

A

V

R

R

G

G

Y

Y

R

K

C

C

V

I

I

I

V

V

I

M

P

P

D

E

T

K

Q

M

S

S

P

D

A

E

K

K

M

I

E

S

L

T

L

L

R

Y

V

A

L

L

G

G

A

A

E

K

V

I

R

I

P

R

V

T

P

P

A

T

-

E

A

A

P

S

Y

W

K

H

D

S

P

P

N

E

N

A

Y

H

Q

I

K

S

I

V

A

A

G

Q

R

K

L

L

A

Q

R

K

E

E

L

I

D

P

N

N

A

S

I

I

W

I

S

L

N

D

Q

Q

F

Y

D

T

N

N

V
x
P

A

G

N

N

R
x
P

L

L

A

A

H

H

Y
|
Y

E

D

T

Q

T

T

G

A

P

I

E

E

I

I

W

W

R

K

D

Q

T

C

A

E

G

G

T

K

I

I

D

D

A

Y

F

L

V

V

C

A

S
x
G

T

A

G
|
G

T
|
T

G
|
G

T
|
T

L

I

A

S

G

G

V

I

S

G

R
|
R

F

K

L

L

K

K

E

E

Q

L

D

S

P

P

Q

N

V

I

R

K

I

I

A

I

L

A

A

V

D

D

P

P

H

K

G

G

S

S

G

I

L

L

Y

D

S

P

Y

-

V

-

K

S

T

S

G

D

E

E

I

V

Q

-

V

-

E

-

G

G

S

F

S

Y

I

E

T

V

E

E

G
|
G

I

I

G

G

S

Y

S

D

R

F

V

I

T

P

A

T

N

V

L

L

E

D

G

R

T

N

A

V

I

I

D

D

D

K

A

W

F

I

R

K

I

T

D

E

D

D

Q

N

S

E

C

S

V

L

T

N

M

A

V

A

Y

R

R

M

L

L

L

I

R

R

E

Q

E

E

G

G

L

L

Y

L

V

C

G

G

S
|
S

T

S

G

G

I

A

N

A

V

L

A

I

A

A

V

L

A

K

L

I

A

A

R

K

Q

D

M

I

G

P

P

E

G

E

H

K

T

R

I

M

V

V

T

I

P

I

L

L

C
x
P

D
|
D

R

G

G

I

E

R

L

N

Y

Y

R

L

A

T

R

K

L

F

F

V

N

S

P

E

E

Y

W

W

L

M

A

E

Q

T

K

R

G

G

L

F

V

L

binding protoporphyrin ix containing fe: P181 (≠ V150), P184 (≠ R153), Y188 (= Y157), R221 (= R190)
binding pyridoxal-5'-phosphate: K74 (= K44), N104 (= N74), G209 (≠ S178), G211 (= G180), T212 (= T181), G213 (= G182), G214 (= G183), T215 (= T184), G256 (= G230), S300 (= S274), P326 (≠ C300), D327 (= D301)

Sites not aligning to the query:

binding protoporphyrin ix containing fe: 4, 7, 8, 9, 10, 14, 16, 17, 18, 19

2efyA Crystal structure of t.Th. Hb8 o-acetylserine sulfhydrylase complexed with 4-acetylbutyric acid
41% identity, 94% coverage: 1:306/324 of query aligns to 1:295/302 of 2efyA

query
sites
2efyA

M

M

R

R

V

V

H

E

Q

-

G

-

F

-

T

-

G

G

C

A

I

I

G

G

D

K

T

T

P

P

L

V

I

V

R

R

L

L

A

A

A

K

L

V

S

V

A

E

E

P

T

D

G

M

C

A

E

E

I

V

L

W

G

V

K

K

A

L

E

E

F

G

M

L

N

N

P

P

G

G

S

S

V

I

K
|
K

D

D

R

R

A

P

A

A

L

W

Y

Y

I

M

I

I

L

K

D

D

A

A

E

E

R

E

R

R

G

G

A

I

L

L

K

R

P

P

G

G

G

S

-

G

-

Q

T

V

V

I

V

V

E

E

G

P

T
|
T

A
x
S

G
|
G

N
|
N

T
|
T

G

G

I

I

G

G

L

L

A

A

H

M

L

I

C

A

A

A

A

S

R

R

G

G

Y

Y

R

R

C

L

V

I

I

L

V

T

I

M

P

P

D

A

T

Q

Q

M

S

S

P

E

A

E

K

R

M

K

E

R

L

V

L

L

R

K

V

A

L

F

G

G

A

A

E

E

V

L

R

-

P

-

V

V

P

L

A

T

A

D

P

P

Y

E

K

R

D

R

P

M

N

L

N

A

Y

A

Q

R

K

E

I

E

A

A

G

L

R

R

L

L

A

K

R

E

E

E

L

L

D

-

N

G

A

A

I

F

W

M

S

P

N

D

Q
|
Q

F

F

D

K

N

N

V

P

A

A

N

N

R

V

L

R

A

A

H

H

Y

Y

E

E

T

T

G

G

P

P

E

E

I

L

W

Y

R

E

D

A

T

L

A

E

G

G

T

R

I

I

D

D

A

A

F

F

V

V

C
x
Y

S

G

T

S

G
|
G

T
|
T

G
|
G

G

G

T
|
T

L

I

A

T

G

G

V

V

S

G

R

R

F

Y

L

L

K

K

E

E

Q

R

D

I

P

P

Q

H

V

V

R

K

I

V

A

I

L

A

A

V

D
x
E

P

P

H

A

G

R

S
|
S

G

N

L

V

Y

L

S

S

Y

G

V

G

K

K

T

M

G

G

E

Q

I

H

Q

G

V

F

E

-

G

-

S

-

I

-

T

-

E

Q

G
|
G

I
x
M

G

G

S
x
P

S

G

R

F

V

I

T

P

A

E

N

N

L

L

E

D

G

L

T

S

A

L

I

L

D

D

D

G

A

V

F

I

R

Q

I

V

D

W

D

E

Q

E

S

D

C

A

V

F

T

P

M

L

V

A

Y

R

R

R

L

L

L

A

R

R

E

E

G

G

L

L

Y

F

V

L

G

G

G

M

S
|
S

T

S

G

G

I

G

N

I

V

V

A

W

A

A

V

L

A

Q

L

V

A

A

R

R

Q

E

M

L

G

G

P

P

G

G

H

K

T

R

I

V

V

A

T

C

P

I

L

S

C
x
P

D
|
D

R

G

G

G

E

W

L

K

Y

Y

active site: K40 (= K44), S70 (≠ A72), E200 (≠ D205), S204 (= S209), S263 (= S274)
binding 5-oxohexanoic acid: T69 (= T71), G71 (= G73), T73 (= T75), Q141 (= Q146), G175 (= G180), G219 (= G230), M220 (≠ I231), P222 (≠ S233)
binding pyridoxal-5'-phosphate: K40 (= K44), N72 (= N74), Y172 (≠ C177), G175 (= G180), T176 (= T181), G177 (= G182), T179 (= T184), G219 (= G230), S263 (= S274), P289 (≠ C300), D290 (= D301)

2ecqA Crystal structure of t.Th. Hb8 o-acetylserine sulfhydrylase complexed with 3-hydroxylactate
41% identity, 94% coverage: 1:306/324 of query aligns to 1:295/302 of 2ecqA

query
sites
2ecqA

M

M

R

R

V

V

H

E

Q

-

G

-

F

-

T

-

G

G

C

A

I

I

G

G

D

K

T

T

P

P

L

V

I

V

R

R

L

L

A

A

A

K

L

V

S

V

A

E

E

P

T

D

G

M

C

A

E

E

I

V

L

W

G

V

K

K

A

L

E

E

F

G

M

L

N

N

P

P

G

G

S

S

V

I

K
|
K

D

D

R

R

A

P

A

A

L

W

Y

Y

I

M

I

I

L

K

D

D

A

A

E

E

R

E

R

R

G

G

A

I

L

L

K

R

P

P

G

G

G

S

-

G

-

Q

T

V

V

I

V

V

E

E

G

P

T

T

A
x
S

G
|
G

N
|
N

T
|
T

G

G

I

I

G

G

L

L

A

A

H

M

L

I

C

A

A

A

A

S

R

R

G

G

Y

Y

R

R

C

L

V

I

I

L

V

T

I

M

P

P

D

A

T

Q

Q

M

S

S

P

E

A

E

K

R

M

K

E

R

L

V

L

L

R

K

V

A

L

F

G

G

A

A

E

E

V

L

R

-

P

-

V

V

P

L

A

T

A

D

P

P

Y

E

K

R

D

R

P

M

N

L

N

A

Y

A

Q

R

K

E

I

E

A

A

G

L

R

R

L

L

A

K

R

E

E

E

L

L

D

-

N

G

A

A

I

F

W

M

S

P

N

D

Q
|
Q

F

F

D

K

N

N

V

P

A

A

N

N

R

V

L

R

A

A

H

H

Y

Y

E

E

T

T

G

G

P

P

E

E

I

L

W

Y

R

E

D

A

T

L

A

E

G

G

T

R

I

I

D

D

A

A

F

F

V

V

C
x
Y

S
x
G

T

S

G
|
G

T
|
T

G

G

T
|
T

L

I

A

T

G

G

V

V

S

G

R

R

F

Y

L

L

K

K

E

E

Q

R

D

I

P

P

Q

H

V

V

R

K

I

V

A

I

L

A

A

V

D
x
E

P

P

H

A

G

R

S
|
S

G

N

L

V

Y

L

S

S

Y

G

V

G

K

K

T

M

G

G

E

Q

I

H

Q

G

V

F

E

-

G

-

S

-

I

-

T

-

E

Q

G
|
G

I

M

G

G

S

P

S

G

R

F

V

I

T

P

A

E

N

N

L

L

E

D

G

L

T

S

A

L

I

L

D

D

D

G

A

V

F

I

R

Q

I

V

D

W

D

E

Q

E

S

D

C

A

V

F

T

P

M

L

V

A

Y

R

R

R

L

L

L

A

R

R

E

E

G

G

L

L

Y

F

V

L

G

G

G

M

S
|
S

T

S

G

G

I

G

N

I

V

V

A

W

A

A

V

L

A

Q

L

V

A

A

R

R

Q

E

M

L

G

G

P

P

G

G

H

K

T

R

I

V

V

A

T

C

P

I

L

S

C
x
P

D

D

R

G

G

G

E

W

L

K

Y

Y

active site: K40 (= K44), S70 (≠ A72), E200 (≠ D205), S204 (= S209), S263 (= S274)
binding (3s)-3-hydroxybutanoic acid: K40 (= K44), G71 (= G73), T73 (= T75), Q141 (= Q146), G219 (= G230)
binding pyridoxal-5'-phosphate: K40 (= K44), N72 (= N74), Y172 (≠ C177), G173 (≠ S178), G175 (= G180), T176 (= T181), T179 (= T184), G219 (= G230), S263 (= S274), P289 (≠ C300)

2ecoA Crystal structure of t.Th. Hb8 o-acetylserine sulfhydrylase complexed with 4-methylvalerate
41% identity, 94% coverage: 1:306/324 of query aligns to 1:295/302 of 2ecoA

query
sites
2ecoA

M

M

R

R

V

V

H

E

Q

-

G

-

F

-

T

-

G

G

C

A

I

I

G

G

D

K

T

T

P

P

L

V

I

V

R

R

L

L

A

A

A

K

L

V

S

V

A

E

E

P

T

D

G

M

C

A

E

E

I

V

L

W

G

V

K

K

A

L

E

E

F

G

M

L

N

N

P

P

G

G

S

S

V

I

K
|
K

D

D

R

R

A

P

A

A

L

W

Y

Y

I

M

I

I

L

K

D

D

A

A

E

E

R

E

R

R

G

G

A

I

L

L

K

R

P

P

G

G

G

S

-

G

-

Q

T

V

V

I

V

V

E

E

G

P

T
|
T

A
x
S

G
|
G

N
|
N

T
|
T

G

G

I

I

G

G

L

L

A

A

H

M

L

I

C

A

A

A

A

S

R

R

G

G

Y

Y

R

R

C

L

V

I

I

L

V

T

I

M

P

P

D

A

T

Q

Q

M

S

S

P

E

A

E

K

R

M

K

E

R

L

V

L

L

R

K

V

A

L

F

G

G

A

A

E

E

V

L

R

-

P

-

V

V

P

L

A

T

A

D

P

P

Y

E

K

R

D

R

P

M

N

L

N

A

Y

A

Q

R

K

E

I

E

A

A

G

L

R

R

L

L

A

K

R

E

E

E

L

L

D

-

N

G

A

A

I

F

W

M

S

P

N

D

Q
|
Q

F

F

D

K

N

N

V

P

A

A

N

N

R

V

L

R

A

A

H

H

Y

Y

E

E

T

T

G

G

P

P

E

E

I

L

W

Y

R

E

D

A

T

L

A

E

G

G

T

R

I

I

D

D

A

A

F

F

V

V

C
x
Y

S

G

T

S

G
|
G

T
|
T

G

G

T
|
T

L

I

A

T

G

G

V

V

S

G

R

R

F

Y

L

L

K

K

E

E

Q

R

D

I

P

P

Q

H

V

V

R

K

I

V

A

I

L

A

A

V

D
x
E

P

P

H

A

G

R

S
|
S

G

N

L

V

Y

L

S

S

Y

G

V

G

K

K

T

M

G

G

E

Q

I

H

Q

G

V

F

E

-

G

-

S

-

I

-

T

-

E

Q

G
|
G

I

M

G

G

S

P

S

G

R

F

V

I

T

P

A

E

N

N

L

L

E

D

G

L

T

S

A

L

I

L

D

D

D

G

A

V

F

I

R

Q

I

V

D

W

D

E

Q

E

S

D

C

A

V

F

T

P

M

L

V

A

Y

R

R

R

L

L

L

A

R

R

E

E

G

G

L

L

Y

F

V

L

G

G

G

M

S
|
S

T

S

G

G

I

G

N

I

V

V

A

W

A

A

V

L

A

Q

L

V

A

A

R

R

Q

E

M

L

G

G

P

P

G

G

H

K

T

R

I

V

V

A

T

C

P

I

L

S

C
x
P

D
|
D

R

G

G

G

E

W

L

K

Y

Y

active site: K40 (= K44), S70 (≠ A72), E200 (≠ D205), S204 (= S209), S263 (= S274)
binding 4-methyl valeric acid: K40 (= K44), T69 (= T71), G71 (= G73), T73 (= T75), Q141 (= Q146), G175 (= G180), T176 (= T181), G219 (= G230)
binding pyridoxal-5'-phosphate: K40 (= K44), N72 (= N74), Y172 (≠ C177), G175 (= G180), T176 (= T181), T179 (= T184), G219 (= G230), S263 (= S274), P289 (≠ C300), D290 (= D301)

Q93244 Cysteine synthase 1; O-acetylserine (thiol)-lyase 1; OAS-TL; EC 2.5.1.47 from Caenorhabditis elegans (see 2 papers)
42% identity, 91% coverage: 11:306/324 of query aligns to 15:304/341 of Q93244

query
sites
Q93244

I

I

G

G

D

N

T

T

P

P

L

M

I

V

R

Y

L

I

A

N

A

K

L

L

S

T

A

K

E

G

T

L

G

P

C

G

E

T

I

V

L

A

G

V

K

K

A

I

E

E

F

Y

M

M

N

N

P

P

G

A

G

G

S

S

V

V

K

K

D

D

R

R

A

I

A

G

L

A

Y

A

I

M

I

L

L

A

D

A

A

A

E

E

R

K

R

D

G

G

A

T

L

V

K

I

P

P

G

G

-

V

G

T

T

T

V

L

V

I

E

E

G
x
P

T

T

A

S

G

G

N

N

T

T

G

G

I

I

G

A

L

L

A

A

H

F

L

V

C
x
A

A

A

R

K

G

G

Y

Y

R

R

C

C

V

I

I

V

V

T

I

M

P

P

D

A

T

S

Q

M

S

S

P

G

A

E

K

R

M

R

E

T

L

L

R

K

V

A

L

Y

G

G

A

S

E

E

V

V

R

-

P

-

V

V

P

L

A

T

A

D

P

P

Y

A

K

K

D

G

P

M

N

K

N

G

Y

A

Q

I

K

D

I

M

A

A

G

N

R

Q

L

L

A

K

R

E

E

N

L

I

D

P

N

G

A
x
S

I

I

W

I

S

L

N

A

Q

Q

F

F

D

D

N

N

V

P

A

N

N

N

R

P

L

L

A

V

H

H

Y

Y

E

Q

T

T

G

G

P

P

E

E

I

I

W

W

R

R

D

Q

T

T

A

K

G

G

T

T

I

V

D

D

A

A

F

V

V

V

C

F

S
x
G

T

V

G
|
G

T

T

G

G

T

T

L

I

A

T

G

G

V

V

S

G

R

R

F

Y

L

L

K

Q

E

E

Q

Q

D

N

P

P

Q

G

V

V

R

R

I

V

A

F

L

A

A

V

D

E

P

P

H

E

G

E

S

S

G

A

L

I

Y

L

S

S

Y

G

V

R

K

P

T

A

G

G

E

P

I

H

Q

K

V

I

E

-

G

-

S

-

I

-

T

-

E

Q

G

G

I

I

G
|
G

S

A

S

G

R

F

V

A

T

P

A

A

N

V

L

L

E

D

G

T

T

K

A

I

I

Y

D

E

D

D

A

V

F

I

R

R

I

I

D

H

D

S

Q

D

S

E

C

A

V

I

T

V

M

M

V

A

Y

Q

R
|
R

L

L

L

S

R

Y

E

E

G

G

L

L

Y

L

V

G

G

G

G

I

S

S

T
x
S

G

G

I

A

N

N

V

V

A

A

V

L

A

Q

L

L

-

A

A

A

R

R

Q

P

M

E

G

M

P

A

G

G

H

K

T

L

I

I

V

V

T
|
T

P

C

L

L

C

P

D

S

R

C

G

G

E

E

L

R

Y

Y

P75 (≠ G70) mutation to L: In n5537; severe loss of protein stability.
A88 (≠ C83) mutation to V: In n5522; severe loss of protein stability.
S144 (≠ A141) mutation to F: In mr26; susceptible to high levels of hydrogen sulfide.
G181 (≠ S178) mutation to E: In n5521 and mr23; severe loss of protein stability. Susceptible to high levels of hydrogen sulfide.
G183 (= G180) mutation to R: In n5515; severe loss of protein stability.
G229 (= G232) mutation to E: In mr33; susceptible to high levels of hydrogen sulfide.
R259 (= R262) mutation to K: In n5519; no loss of protein stability. No effect on enzyme activity.
S272 (≠ T275) mutation to F: In mr29; susceptible to high levels of hydrogen sulfide.
T295 (= T297) mutation to I: In mr39; susceptible to high levels of hydrogen sulfide.

6c2zA Crystal structures of cystathionine beta-synthase from saccharomyces cerevisiae: the structure of the plp-aminoacrylate intermediate (see paper)
35% identity, 96% coverage: 10:321/324 of query aligns to 14:336/345 of 6c2zA

query
sites
6c2zA

C

L

I

V

G

G

D

N

T

T

P

P

L

L

I

I

R

A

L

L

A

K

L

L

S

P

A

K

E

A

T

L

G

G

C

I

-

K

-

P

E

Q

I

I

L

Y

G

A

K

K

A

L

E

E

F

L

M

Y

N

N

P

P

G

G

S

S

V

I

K
|
K

D

D

R

R

A

I

A

A

L

K

Y

S

I

M

I

V

L

E

D

E

A

A

E

E

R

A

R

S

G

G

A

R

L

I

K

H

P

P

G

S

-

R

G

S

T

T

V

L

V

I

E

E

G

P

T
|
T

A
x
S

G

G

N
|
N

T
|
T

G

G

I

I

G

G

L

L

A

A

H

L

L

I

C

G

A

A

A

I

R

K

G

G

Y

Y

R

R

C

T

V

I

I

I

V

T

I

L

P

P

D

E

T

K

Q

M

S

S

P

N

A

E

K

K

M

V

E

S

L

V

L

L

R

K

V

A

L

L

G

G

A

A

E

E

V

I

R

I

P

R

V

T

P

P

-

T

A

A

P

A

Y

W

K

D

D

S

P

P

N

E

N

S

Y

H

Q

I

K

G

I

V

A

A

G

K

R

K

L

L

A

E

R

K

E

E

L

I

D

P

N

G

A

A

I

V

W

I

S

L

N

D

Q
|
Q

F

Y

D

N

N

N

V

M

A

M

N

N

R

P

L

E

A

A

H

H

Y

Y

E

F

T

G

T

T

G

G

P

R

E

E

I

I

W

Q

R

R

-

Q

-

L

-

E

-

D

-

L

D
x
N

T

L

A

F

G
x
D

T
x
N

I

L

D

R

A

A

F

V

V

V

C

A

S

G

T
x
A

G
|
G

T
|
T

G
|
G

G

G

T
|
T

L

I

A

S

G

G

V

I

S

S

R

K

F

Y

L

L

K

K

E

E

Q

Q

D

N

P

D

Q

K

V

I

R

Q

I

I

A

V

L

G

A

A

D

D

P

P

H

F

G

G

S

S

G

I

L

L

Y

A

S

Q

Y

P

V

E

K

N

T

L

G

N

E

K

I

T

Q

D

V

I

E

T

G

D

S

Y

S

K

I

V

T

-

E

E

G
|
G

I

I

G

G

S

Y

S

D

R

F

V

V

T

P

A

Q

N

V

L

L

E

D

G

R

T

K

A

L

I

I

D

D

D

V

A

W

F

Y

R

K

I

T

D

D

Q

K

S

P

C

S

V

F

T

K

M

Y

V

A

Y

R

R

Q

L

L

L

I

R

S

E

N

E

E

G

G

L

V

Y

L

V

V

G

G

S
|
S

T

S

G

G

I

S

N

A

V

F

A

T

A

A

A

V

V

V

A

K

L

Y

A

C

R

E

-

D

-

H

-

P

Q

E

M

L

G

T

P

E

G

D

H

D

T

V

I

I

V

V

T

A

P

I

L

F

C
x
P

D
|
D

R

S

G

I

E

R

L

S

Y

Y

R

L

A

T

R

K

L

F

F

V

N

D

P

D

E

E

W

W

L

L

A

K

Q

K

K

N

G

N

L

L

binding calcium ion: N180 (≠ D167), D183 (≠ G170), N184 (≠ T171)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: K50 (= K44), T78 (= T71), S79 (≠ A72), N81 (= N74), T82 (= T75), Q154 (= Q146), A192 (≠ T179), G193 (= G180), T194 (= T181), G195 (= G182), T197 (= T184), G242 (= G230), S286 (= S274), P315 (≠ C300), D316 (= D301)

Query Sequence

>WP_012405064.1 NCBI__GCF_000020045.1:WP_012405064.1
MRVHQGFTGCIGDTPLIRLAALSAETGCEILGKAEFMNPGGSVKDRAALYIILDAERRGA
LKPGGTVVEGTAGNTGIGLAHLCAARGYRCVIVIPDTQSPAKMELLRVLGAEVRPVPAAP
YKDPNNYQKIAGRLARELDNAIWSNQFDNVANRLAHYETTGPEIWRDTAGTIDAFVCSTG
TGGTLAGVSRFLKEQDPQVRIALADPHGSGLYSYVKTGEIQVEGSSITEGIGSSRVTANL
EGTAIDDAFRIDDQSCVTMVYRLLREEGLYVGGSTGINVAAAVALARQMGPGHTIVTPLC
DRGELYRARLFNPEWLAQKGLVAR

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