SitesBLAST

G85 (= G11) to R: in CBSD; loss of cystathionine beta-synthase activity; dbSNP:rs863223435
T87 (= T13) 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 (≠ I31) to R: in CBSD; loss of activity; dbSNP:rs778220779
A114 (≠ P36) 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 (= K41) modified: N6-(pyridoxal phosphate)lysine
R125 (≠ S47) 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 (= M48) to V: in CBSD; loss of activity
E131 (≠ L53) to D: in CBSD; linked with Q-125; loss of activity; dbSNP:rs1555875351
G139 (= G61) to R: in CBSD; mild form; dbSNP:rs121964965
I143 (≠ V65) to M: in CBSD; 4% of activity; stable; dbSNP:rs370167302
E144 (= E66) to K: in CBSD; loss of cystathionine beta-synthase activity; impaired stimulation by AdoMet and AdoHcy; decreased homotetramer formation; dbSNP:rs121964966
G148 (= G70) to R: in CBSD; loss of cystathionine beta-synthase activity; impaired stimulation by AdoMet and AdoHcy; loss of homotetramer formation; dbSNP:rs755952006
N149 (= N71) binding pyridoxal 5'-phosphate
L154 (= L76) to Q: in CBSD; protein expression is comparable to wild-type; significant decrease of enzyme activity
A155 (= A77) 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 (≠ F87) 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 (≠ A95) 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 (≠ D98) 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 (≠ M102) to A: in CBSD; decreased cystathionine beta-synthase activity; decreases homotetramer formation; dbSNP:rs1555875010
T191 (vs. gap) to M: in CBSD; moderate and severe forms; loss of cystathionine beta-synthase activity; absent capacity to form multimeric quaternary structure; dbSNP:rs121964973
K211 (≠ G135) modified: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in SUMO)
A226 (≠ P150) 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 (≠ D154) to P: in CBSD; has significantly decreased levels of enzyme activity
D234 (≠ A157) 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 (≠ GTGGS 179:183) binding pyridoxal 5'-phosphate
T257 (= T180) to M: in CBSD; moderate to severe form; protein expression is comparable to wild-type; significant decrease of enzyme activity; dbSNP:rs758236584
T262 (= T185) 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 (≠ Q189) to K: in CBSD; mild form; decreased cystathionine beta-synthase activity; decreased homotetramer formation; no effect on heme-binding; decreased stability; dbSNP:rs121964969
K269 (= K192) natural variant: Missing (in CBSD; loss of expression)
C272 (≠ N195) mutation to A: Reduced heme content and cystathionine beta-synthase activity.
C275 (≠ V198) 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 (= I201) 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 (≠ E204) to N: in CBSD; loss of activity
A288 (vs. gap) to T: in CBSD; protein expression is comparable to wild-type; significant decrease of enzyme activity; dbSNP:rs141502207
E302 (≠ Q220) 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 (= G222) to R: in CBSD; loss of cystathionine beta-synthase activity; no effect on homotetramer formation
G307 (= G224) 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 (≠ I240) to A: in CBSD; has 36% of wild-type enzyme activity; dbSNP:rs781567152
D321 (= D241) to V: in CBSD; loss of activity
R336 (= R256) 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 (≠ I258) 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 (= G267) to S: in CBSD; protein expression is comparable to wild-type; loss of activity; dbSNP:rs771298943
S349 (= S269) 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 (≠ A273) to M: in CBSD; protein expression is comparable to wild-type; significant decrease of enzyme activity; dbSNP:rs121964972
R369 (≠ T289) to C: in CBSD; when linked with C-491 severe form; decreased cystathionine beta-synthase activity; decreased homotetramer formation; dbSNP:rs117687681
D376 (= D296) to N: in CBSD; has significantly decreased levels of enzyme activity; dbSNP:rs1170128038
R379 (≠ E299) 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 (≠ T304) 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

1jbqA Structure of human cystathionine beta-synthase: a unique pyridoxal 5'- phosphate dependent hemeprotein (see paper)
35% identity, 93% coverage: 6:317/336 of query aligns to 38:348/348 of 1jbqA

query
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active site: K77 (= K41), S105 (= S69), D232 (≠ E204), S236 (= S208), L238 (≠ V210), S300 (= S269), P326 (≠ A295)
binding protoporphyrin ix containing fe: A177 (≠ P150), P180 (= P153), L181 (vs. gap), Y184 (= Y156), R217 (≠ Q189)
binding pyridoxal-5'-phosphate: K77 (= K41), N107 (= N71), V206 (= V178), G207 (= G179), T208 (= T180), G209 (= G181), G210 (= G182), T211 (≠ S183), G256 (= G222), S300 (= S269), P326 (≠ A295), D327 (= D296)

Sites not aligning to the query:

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

5ohxA Structure of active cystathionine b-synthase from apis mellifera (see paper)
33% identity, 95% coverage: 10:328/336 of query aligns to 39:359/488 of 5ohxA

query
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binding protoporphyrin ix containing fe: P181 (= P150), P184 (= P153), Y188 (= Y156), R221 (≠ Q189)
binding pyridoxal-5'-phosphate: K74 (= K41), N104 (= N71), G209 (≠ C177), G211 (= G179), T212 (= T180), G213 (= G181), G214 (= G182), T215 (≠ S183), G256 (vs. gap), S300 (= S269), P326 (≠ A295), D327 (= D296)

Sites not aligning to the query:

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

5b1iA Crystal structure of k42a mutant of cystathionine beta-synthase from lactobacillus plantarum in a complex with l-methionine (see paper)
36% identity, 90% coverage: 1:303/336 of query aligns to 1:297/303 of 5b1iA

query
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T

I

I

A

L

V

V

D

P

H

E

H

K

A

F

A

S

P

M

D

E

K

K

I

Q

R

V

M

L

M

M

R

Q

A

A

L

L

G

G

A

A

E

E

I

I

R

V

Y

H

V

T

E

P

G

-

D

-

F

-

A

S

E

E

D

E

Q

G

V

I

A

K

V

G

V

A

E

I

R

R

Q

K

R

-

L

-

A

A

A

E

Q

A

L

L

G

A

A

A

Q

T

L

I

P

S

G

N

A

S

M

Y

F

V

M

P

N

M

Q

Q

S

F

D

K

N

N

P

P

A

A

N

N

P

P

D

A

G

A

-

Y

Y

Y

A

H

G

T

L

L

V

A

D

P

E

E

L

I

I

L

A

A

Q

D

L

M

P

P

G

A

G

P

I

I

D

T

A

A

F

F

V

V

G

A

C

G

V

A

G
|
G

T
x
S

G
|
G

G

G

S
x
T

M

F

T

A

G

G

I

V

A

A

Q

A

R

Y

L

L

K

Q

R

A

H

Q

N

D

P

S

A

A

V

T

R

K

T

A

I

V

A

V

V

V

E

E

P

P

A

E

G

G

S

S

I

I

V

L

F

N

G

G

K

G

P

P

G

A

H

H

P

A

Y

H

Y

R

Q

T

S

E

G
|
G

T

I

G

G

T

V

P

-

A

-

G

-

D

E

E

F

V

I

G

P

K

P

V

F

L

F

D

D

Y

Q

G

V

C

R

I

I

D

D

E

Q

G

T

V

L

Q

T

V

I

T

A

D

D

V

N

Q

D

A

A

F

F

E

A

T

Q

A

V

R

R

Y

H

I

L

A

A

R

R

R

D

K

H

G

G

L

L

V

I

G

G

G

S

S
|
S

T

S

G

G

G

A

A

A

I

L

F

A

K

A

A

S

L

L

E

Q

F

L

I

A

V

T

E

N

G

L

K

P

L

A

T

N

G

S

T

H

V

I

V

V

T

T

T

I

V

F

A
x
P

D
|
D

G

S

E

E

K

R

Y

Y

L

L

G

S

active site: A42 (≠ K41), S263 (= S269)
binding n-[(3-hydroxy-2-methyl-5-{[(trihydroxyphosphoranyl)oxy]methyl}pyridin-4-yl)methylene]methionine: T69 (≠ S68), A70 (≠ S69), N72 (= N71), T73 (= T72), G176 (= G179), S177 (≠ T180), G178 (= G181), T180 (≠ S183), G219 (= G222), S263 (= S269), P289 (≠ A295), D290 (= D296)

6xylA Crystal structure of delta466-491 cystathionine beta-synthase from toxoplasma gondii with l-serine (see paper)
36% identity, 92% coverage: 5:314/336 of query aligns to 11:327/468 of 6xylA

query
sites
6xylA

T

S

V

V

T

L

Q

D

L

A

I

I

G

G

Q

N

T

T

P

P

V

M

M

V

S

R

I

M

D

K

-

R

-

L

-

A

-

K

V

V

P

Y

E

G

R

L

D

E

A

C

T

D

L

L

V

L

L

A

K

K

I

C

E

E

K

F

N

M

N

S

P

A

G

G

S

S

M

V

K
|
K

D

D

R

R

M

I

A

G

R

K

S

A

M

M

V

V

V

E

A

K

A

A

L

E

E

R

D

E

G

G

R

R

L

L

A

K

P

A

G

G

G

D

T

T

I

L

V

I

E

E

S

P

S

T

S

S

G

G

N

N

T
|
T

G

G

T

I

G

G

L

L

A

A

L

L

A

A

L

A

E

V

F

R

G

G

L

Y

R

R

F

M

I

I

A

V

V

T

V

M

D

P

H

A

H

K

A

M

A

S

P

A

D

E

K

K

I

S

R

N

M

I

M

M

R

K

A

C

L

L

G

G

A

A

E

E

I

I

R

V

Y

R

V

T

E

P

G

T

D

E

F

A

A

A

E

W

D

N

Q

D

V

-

A

-

V

-

E

E

R

N

Q

S

R

H

L

M

-

G

-

V

A

A

Q

K

L

L

G

Q

A

R

Q

E

L

L

P

E

G

N

A

A

M

H

F

I

M

L

N

D

Q
|
Q

S

Y

D

N

N

N

P

T

A

A

N

N

P

P

D

M

-

V

G

H

Y

Y

A

D

G

V

L

T

V

A

D

E

E

E

L

I

I

I

A

T

Q

Q

L

C

P

D

G

G

G

D

I

I

D

D

A

M

F

V

V

V

G

I

C

G

V

A

G
|
G

T
|
T

G
|
G

G

G

S
x
T

M

I

T

T

G

G

I

I

A

G

Q

R

R

K

L

I

K

K

R

E

H

R

N

C

P

P

A

K

V

C

R

K

T

V

I

V

A

G

V

V

E

D

P

P

A

K

G

G

S

S

I

I

V

L

F

A

-

V

-

P

-

D

-

S

-

L

-

N

-

D

G

E

K

K

P

R

G

L

H

Q

P

S

Y

Y

Y

E

Q

V

S

E

G
|
G

T
x
I

G

G

T
x
Y

P

-

A

-

G

-

D

D

E

F

V

V

G

P

K

G

V

V

L

L

D

D

Y

R

G

K

C

V

I

V

D

D

E

E

G

W

V

V

Q

K

V

V

T

G

D

D

V

A

Q

E

A

S

F

F

E

T

T

T

A

A

R

R

Y

A

I

I

A

I

R

R

R

N

K

E

G

G

L

L

L

F

V

V

G

G

S
|
S

T

S

G

G

G

A

A

N

I

V

F

W

K

G

A

A

L

L

E

Q

F

A

I

A

V

R

E

Q

G

L

K

K

L

K

T

G

G

Q

T

K

V

C

V

V

T

V

T

L

V

L

A
x
P

D
|
D

G

S

E

R

K

N

Y

Y

L

M

G

S

T

K

I

F

F

I

D

S

D

D

E

E

W

W

M

M

A

A

K

E

R

H

binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: K51 (= K41), T82 (= T72), Q154 (= Q146), G188 (= G179), T189 (= T180), G190 (= G181), T192 (≠ S183), G238 (= G222), I239 (≠ T223), Y241 (≠ T225), S282 (= S269), P308 (≠ A295), D309 (= D296)

6xwlC Cystathionine beta-synthase from toxoplasma gondii (see paper)
36% identity, 92% coverage: 5:314/336 of query aligns to 11:327/477 of 6xwlC

query
sites
6xwlC

T

S

V

V

T

L

Q

D

L

A

I

I

G

G

Q

N

T

T

P

P

V

M

M

V

S

R

I

M

D

K

-

R

-

L

-

A

-

K

V

V

P

Y

E

G

R

L

D

E

A

C

T

D

L

L

V

L

L

A

K

K

I

C

E

E

K

F

N

M

N

S

P

A

G

G

S

S

M

V

K
|
K

D

D

R

R

M

I

A

G

R

K

S

A

M

M

V

V

V

E

A

K

A

A

L

E

E

R

D

E

G

G

R

R

L

L

A

K

P

A

G

G

G

D

T

T

I

L

V

I

E

E

S

P

S

T

S

S

G

G

N
|
N

T

T

G

G

T

I

G

G

L

L

A

A

L

L

A

A

L

A

E

V

F

R

G

G

L

Y

R

R

F

M

I

I

A

V

V

T

V

M

D

P

H

A

H

K

A

M

A

S

P

A

D

E

K

K

I

S

R

N

M

I

M

M

R

K

A

C

L

L

G

G

A

A

E

E

I

I

R

V

Y

R

V

T

E

P

G

T

D

E

F

A

A

A

E

W

D

N

Q

D

V

-

A

-

V

-

E

E

R

N

Q

S

R

H

L

M

-

G

-

V

A

A

Q

K

L

L

G

Q

A

R

Q

E

L

L

P

E

G

N

A

A

M

H

F

I

M

L

N

D

Q

Q

S

Y

D

N

N

N

P

T

A

A

N

N

P

P

D

M

-

V

G

H

Y

Y

A

D

G

V

L

T

V

A

D

E

E

E

L

I

I

I

A

T

Q

Q

L

C

P

D

G

G

G

D

I

I

D

D

A

M

F

V

V

V

G

I

C

G

V

A

G
|
G

T
|
T

G
|
G

G

G

S
x
T

M

I

T

T

G

G

I

I

A

G

Q

R

R

K

L

I

K

K

R

E

H

R

N

C

P

P

A

K

V

C

R

K

T

V

I

V

A

G

V

V

E

D

P

P

A

K

G

G

S

S

I

I

V

L

F

A

-

V

-

P

-

D

-

S

-

L

-

N

-

D

G

E

K

K

P

R

G

L

H

Q

P

S

Y

Y

Y

E

Q

V

S

E

G
|
G

T

I

G

G

T

Y

P

-

A

-

G

-

D

D

E

F

V

V

G

P

K

G

V

V

L

L

D

D

Y

R

G

K

C

V

I

V

D

D

E

E

G

W

V

V

Q

K

V

V

T

G

D

D

V

A

Q

E

A

S

F

F

E

T

T

T

A

A

R

R

Y

A

I

I

A

I

R

R

R

N

K

E

G

G

L

L

L

F

V

V

G

G

S
|
S

T

S

G

G

G

A

A

N

I

V

F

W

K

G

A

A

L

L

E

Q

F

A

I

A

V

R

E

Q

G

L

K

K

L

K

T

G

G

Q

T

K

V

C

V

V

T

V

T

L

V

L

A
x
P

D
|
D

G

S

E

R

K

N

Y

Y

L

M

G

S

T

K

I

F

F

I

D

S

D

D

E

E

W

W

M

M

A

A

K

E

R

H

binding pyridoxal-5'-phosphate: K51 (= K41), N81 (= N71), G188 (= G179), T189 (= T180), G190 (= G181), T192 (≠ S183), G238 (= G222), S282 (= S269), P308 (≠ A295), D309 (= D296)

Q2V0C9 Cystathionine beta-synthase; EC 4.2.1.22 from Apis mellifera (Honeybee) (see paper)
34% identity, 95% coverage: 10:328/336 of query aligns to 43:366/504 of Q2V0C9

query
sites
Q2V0C9

I

I

G

G

Q

Q

T

T

P

P

V

L

M

I

S

K

I

L

D

N

-

N

V

I

P

P

E

K

R

S

-

Y

-

G

-

I

D

K

A

C

T

E

L

I

V

Y

L

A

K

K

I

C

E

E

K

F

N

L

N

N

P

P

G

G

S

S

M

V

K
|
K

D

D

R

R

M

I

A

A

R

Y

S

R

M

M

V

I

V

Q

A

D

A

A

L

E

E

D

D

K

G

G

R

L

L

L

A

K

P

P

G

G

G

C

T

T

I

I

V

I

E

E

S

P

S

T

S

S

G

G

N
|
N

T

T

G

G

T

I

G

G

L

L

A

A

L

M

A

A

L

A

E

V

F

R

G

G

L

Y

R

K

F

C

I

I

A

I

V

V

V

M

D

P

H

E

H

K

A

M

A

S

P

D

D

E

K

K

I

I

R

S

M

T

M

L

R

Y

A

A

L

L

G

G

A

A

E

K

I

I

-

I

-

R

R

T

Y

P

V

T

E

E

G

A

D

S

F

W

A

H

E

S

D

P

Q

E

V

A

A

H

V

I

V

-

E

-

R

-

Q

-

R

S

L

V

A

A

A

Q

Q

K

L

L

G

Q

A

K

Q

E

L

I

P

P

G

N

A

S

M

I

F

I

M

L

N

D

Q

Q

S

Y

D

T

N

N

P

P

A

G

N

N

P

P

-

L

D

A

G

H

Y

Y

A

D

G

Q

L

T

V

A

D

I

E

E

L

I

I

W

A

K

Q

Q

L

C

P

E

G

G

G

K

I

I

D

D

A

Y

F

L

V

V

G

A

C

G

V

A

G
|
G

T
|
T

G
|
G

S
x
T

M

I

T

S

G

G

I

I

A

G

Q

R

R

K

L

L

K

K

R

E

H

L

N

S

P

P

A

N

V

I

R

K

T

I

I

I

A

A

V

V

E

D

P

P

A

K

G

G

S

S

I

I

V

L

F

D

G

P

K

S

P

S

G

D

H

S

P

Q

-

N

-

E

-

V

-

G

-

F

Y

Y

Y

E

Q

V

S

E

G

G

T

I

G

G

T

Y

P

-

A

-

G

-

D

D

E

F

V

I

G

P

K

T

V

V

L

L

D

D

Y

R

G

N

C

V

I

I

D

D

E

K

G

W

V

I

Q

K

V

T

T

E

D

D

V

N

Q

E

A

S

F

L

E

N

T

A

A

A

R

R

Y

M

I

L

A

I

R

R

R

Q

K

E

G

G

L

L

V

C

G

G

S
|
S

T

S

G

G

G

A

A

A

I

L

F

I

K

A

A

A

L

L

E

K

F

I

I

A

V

K

E

D

G

I

K

P

L

E

T

E

G

K

T

R

V

M

V

V

T

I

V

L

A

P

D

D

G

G

G

I

E

R

K

N

Y

Y

L

L

G

T

T

K

I

F

F

V

D

S

D

E

E

Y

W

W

M

M

A

E

K

T

R

R

R

G

L

F

L

L

E

Q

P

P

A

V

I

C

A

Q

A

N

Q

E

L

M

D

N

G

K

W

W

K78 (= K41) modified: N6-(pyridoxal phosphate)lysine
N108 (= N71) binding pyridoxal 5'-phosphate
GTGGT 215:219 (≠ GTGGS 179:183) binding pyridoxal 5'-phosphate
S307 (= S269) binding pyridoxal 5'-phosphate

Sites not aligning to the query:

12 binding axial binding residue
23 binding axial binding residue

7xoyA Cystathionine beta-synthase of mycobacterium tuberculosis in the presence of s-adenosylmethionine and serine. (see paper)
36% identity, 96% coverage: 6:327/336 of query aligns to 5:321/458 of 7xoyA

query
sites
7xoyA

V

I

T

S

Q

E

L

L

I

I

G

G

Q

G

T

T

P

P

V

L

M

V

S

R

I

L

D

N

-

S

-

V

V

V

P

P

E

D

R

G

D

A

A

G

T

T

L

V

V

A

L

A

K

K

I

V

E

E

K

Y

N

L

N

N

P

P

G

G

S

S

M

S

K
|
K

D

D

R

R

M

I

A

A

R

V

S

K

M

M

V

I

V

E

A

A

L

E

E

A

D

S

G

G

R

Q

L

L

A

K

P

P

G

G

T

T

I

I

V

V

E

E

S

P

S

T

S
|
S

G

G

N
|
N

T
|
T

G

G

T

V

G

G

L

L

A

A

L

L

A

V

A

A

L

Q

E

R

F

R

G

G

L

Y

R

K

F

C

I

V

A

F

V

V

V

C

D

P

H

D

H

K

A

V

A

S

P

E

D

D

K

K

I

R

R

N

M

V

M

L

R

I

A

A

L

Y

G

G

A

A

E

E

I

V

R

V

Y

V

V

C

E

P

G

T

D

A

F

V

A

P

E

P

D

H

Q

D

V

P

A

A

V

-

E

S

R

Y

Q

Y

R

S

L

V

A

S

A

D

Q

R

L

L

G

V

A

R

Q

D

L

I

P

D

G

G

A

A

M

W

F

K

M

P

N

D

Q

Q

S

Y

D

A

N

N

P

P

A

E

N

G

P

P

-

A

D

S

G

H

Y

Y

A

V

G

T

L

T

V

G

D

P

E

E

L

I

I

W

A

A

Q

D

L

T

P

E

G

G

G

K

I

V

D

T

A

H

F

F

V

V

G

A

C

G

V

I

G

G

T
|
T

G

G

G
|
G

S
x
T

M

I

T

T

G

G

I

A

A

G

Q

R

R

Y

L

L

K

K

R

E

H

V

N

S

P

G

A

G

-

R

V

V

R

R

T

I

I

V

A

G

V

A

E

D

P

P

A

E

G

G

S

S

I

V

V

Y

F

S

G

G

K

G

P

A

G

G

H

R

P

P

Y

Y

Y

L

Q

V

S

E

G

G

T

V

G

G

T

E

P

-

A

-

G

-

D

D

E

F

V

W

G

P

K

A

V

A

L

Y

D

D

Y

P

G

S

C

V

I

P

D

D

E

E

G

I

V

I

Q

A

V

V

T

S

D

D

V

S

Q

D

A

S

F

F

E

D

T

M

A

T

R

R

Y

R

I

L

A

A

R

R

R

E

K

E

G

A

L

M

L

L

V

V

G

G

S
|
S

T

C

G

G

G

M

A

A

I

V

F

V

K

A

A

A

L

L

E

K

F

V

I

A

V

E

E

E

G

A

K

G

L

P

T

D

G

A

T

L

V

I

V

V

T

V

T

L

V

L

A
x
P

D

D

G

G

E

R

K

G

Y

Y

L

M

G

S

T

K

I

I

F

F

D

N

D

D

E

A

W

W

M

M

A

S

K

S

R

Y

R

G

L

F

L

L

E

R

P

-

A

-

I

-

A

-

A

S

Q

R

L

L

D

D

G

G

binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine: K42 (= K41), S70 (= S69), N72 (= N71), T73 (= T72), T180 (= T180), G182 (= G182), T183 (≠ S183), S267 (= S269), P293 (≠ A295)

7xnzB Native cystathionine beta-synthase of mycobacterium tuberculosis. (see paper)
36% identity, 96% coverage: 6:327/336 of query aligns to 5:321/458 of 7xnzB

query
sites
7xnzB

V

I

T

S

Q

E

L

L

I

I

G

G

Q

G

T

T

P

P

V

L

M

V

S

R

I

L

D

N

-

S

-

V

V

V

P

P

E

D

R

G

D

A

A

G

T

T

L

V

V

A

L

A

K

K

I

V

E

E

K

Y

N

L

N

N

P

P

G

G

S

S

M

S

K
|
K

D

D

R

R

M

I

A

A

R

V

S

K

M

M

V

I

V

E

A

A

L

E

E

A

D

S

G

G

R

Q

L

L

A

K

P

P

G

G

T

T

I

I

V

V

E

E

S

P

S

T

S

S

G

G

N

N

T

T

G

G

T

V

G

G

L

L

A

A

L

L

A

V

A

A

L

Q

E

R

F

R

G

G

L

Y

R

K

F

C

I

V

A

F

V

V

V

C

D

P

H

D

H

K

A

V

A

S

P

E

D

D

K

K

I

R

R

N

M

V

M

L

R

I

A

A

L

Y

G

G

A

A

E

E

I

V

R

V

Y

V

V

C

E

P

G

T

D

A

F

V

A

P

E

P

D

H

Q

D

V

P

A

A

V

-

E

S

R

Y

Q

Y

R

S

L

V

A

S

A

D

Q

R

L

L

G

V

A

R

Q

D

L

I

P

D

G

G

A

A

M

W

F

K

M

P

N

D

Q

Q

S

Y

D

A

N

N

P

P

A

E

N

G

P

P

-

A

D

S

G

H

Y

Y

A

V

G

T

L

T

V

G

D

P

E

E

L

I

I

W

A

A

Q

D

L

T

P

E

G

G

G

K

I

V

D

T

A

H

F

F

V

V

G

A

C

G

V

I

G
|
G

T
|
T

G
|
G

S
x
T

M

I

T

T

G

G

I

A

A

G

Q

R

R

Y

L

L

K

K

R

E

H

V

N

S

P

G

A

G

-

R

V

V

R

R

T

I

I

V

A

G

V

A

E

D

P

P

A

E

G

G

S

S

I

V

V

Y

F

S

G

G

K

G

P

A

G

G

H

R

P

P

Y

Y

Y

L

Q

V

S

E

G

G

T

V

G

G

T

E

P

-

A

-

G

-

D

D

E

F

V

W

G

P

K

A

V

A

L

Y

D

D

Y

P

G

S

C

V

I

P

D

D

E

E

G

I

V

I

Q

A

V

V

T

S

D

D

V

S

Q

D

A

S

F

F

E

D

T

M

A

T

R

R

Y

R

I

L

A

A

R

R

R

E

K

E

G

A

L

M

L

L

V

V

G

G

S
|
S

T

C

G

G

G

M

A

A

I

V

F

V

K

A

A

A

L

L

E

K

F

V

I

A

V

E

E

E

G

A

K

G

L

P

T

D

G

A

T

L

V

I

V

V

T

V

T

L

V

L

A
x
P

D
|
D

G

G

E

R

K

G

Y

Y

L

M

G

S

T

K

I

I

F

F

D

N

D

D

E

A

W

W

M

M

A

S

K

S

R

Y

R

G

L

F

L

L

E

R

P

-

A

-

I

-

A

-

A

S

Q

R

L

L

D

D

G

G

binding pyridoxal-5'-phosphate: K42 (= K41), G179 (= G179), T180 (= T180), G181 (= G181), G182 (= G182), T183 (≠ S183), S267 (= S269), P293 (≠ A295), D294 (= D296)

P9WP51 Probable cystathionine beta-synthase Rv1077; Beta-thionase; Serine sulfhydrase; EC 4.2.1.22 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
36% identity, 96% coverage: 6:327/336 of query aligns to 7:323/464 of P9WP51

query
sites
P9WP51

V

I

T

S

Q

E

L

L

I

I

G

G

Q

G

T

T

P

P

V

L

M

V

S

R

I

L

D

N

-

S

-

V

V

V

P

P

E

D

R

G

D

A

A

G

T

T

L

V

V

A

L

A

K

K

I

V

E

E

K

Y

N

L

N

N

P

P

G

G

S

S

M

S

K

K

D

D

R

R

M

I

A

A

R

V

S

K

M

M

V

I

V

E

A

A

L

E

E

A

D

S

G

G

R

Q

L

L

A

K

P

P

G

G

T

T

I

I

V

V

E

E

S

P

S

T

S

S

G

G

N

N

T

T

G

G

T

V

G

G

L

L

A

A

L

L

A

V

A

A

L

Q

E

R

F

R

G

G

L

Y

R

K

F

C

I

V

A

F

V

V

V

C

D

P

H

D

H

K

A

V

A

S

P

E

D

D

K

K

I

R

R

N

M

V

M

L

R

I

A

A

L

Y

G

G

A

A

E

E

I

V

R

V

Y

V

V

C

E

P

G

T

D

A

F

V

A

P

E

P

D

H

Q

D

V

P

A

A

V

-

E

S

R

Y

Q

Y

R

S

L

V

A

S

A

D

Q

R

L

L

G

V

A

R

Q

D

L

I

P

D

G

G

A

A

M

W

F

K

M

P

N

D

Q

Q

S

Y

D

A

N

N

P

P

A

E

N

G

P

P

-

A

D

S

G

H

Y

Y

A

V

G

T

L

T

V

G

D

P

E

E

L

I

I

W

A

A

Q

D

L

T

P

E

G

G

G

K

I

V

D

T

A

H

F

F

V

V

G

A

C

G

V

I

G

G

T

T

G

G

S

T

M

I

T

T

G

G

I

A

A

G

Q

R

R

Y

L

L

K

K

R

E

H

V

N

S

P

G

A

G

-

R

V

V

R

R

T

I

I

V

A

G

V

A

E

D

P

P

A

E

G

G

S

S

I

V

V

Y

F

S

G

G

K

G

P

A

G

G

H

R

P

P

Y

Y

Y

L

Q

V

S

E

G

G

T

V

G

G

T

E

P

-

A

-

G

-

D

D

E

F

V

W

G

P

K

A

V

A

L

Y

D

D

Y

P

G

S

C

V

I

P

D

D

E

E

G

I

V

I

Q

A

V

V

T

S

D

D

V

S

Q

D

A

S

F

F

E

D

T

M

A

T

R

R

Y

R

I

L

A

A

R

R

R

E

K

E

G

A

L

M

L

L

V

V

G

G

S

S

T

C

G

G

G

M

A

A

I

V

F

V

K

A

A

A

L

L

E

K

F

V

I

A

V

E

E

E

G

A

K

G

L

P

T

D

G

A

T

L

V

I

V

V

T

V

T

L

V

L

A

P

D

D

G

G

E

R

K

G

Y

Y

L

M

G

S

T

K

I

I

F

F

D

N

D

D

E

A

W

W

M

M

A

S

K

S

R

Y

R

G

L

F

L

L

E

R

P

-

A

-

I

-

A

-

A

S

Q

R

L

L

D

D

G

G

Sites not aligning to the query:

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

6c2zA Crystal structures of cystathionine beta-synthase from saccharomyces cerevisiae: the structure of the plp-aminoacrylate intermediate (see paper)
33% identity, 96% coverage: 5:325/336 of query aligns to 10:345/345 of 6c2zA

query
sites
6c2zA

T

N

V

V

T

I

Q

D

L

L

I

V

G

G

Q

N

T

T

P

P

V

L

M

I

S

A

I

L

D

K

-

K

V

L

P

P

E

K

R

A

-

L

-

G

-

I

D

K

A

P

T

Q

L

I

V

Y

L

A

K

K

I

L

E

E

K

L

N

Y

N

N

P

P

G

G

S

S

M

I

K
|
K

D

D

R

R

M

I

A

A

R

K

S

S

M

M

V

V

V

E

A

E

A

A

L

E

E

A

D

S

G

G

R

R

L

I

A

H

P

P

G

S

-

R

G

S

T

T

I

L

V

I

E

E

S

P

S
x
T

S
|
S

G

G

N
|
N

T
|
T

G

G

T

I

G

G

L

L

A

A

L

L

A

I

A

G

L

A

E

I

F

K

G

G

L

Y

R

R

F

T

I

I

A

I

V

T

V

L

D

P

H

E

H

K

A

M

A

S

P

N

D

E

K

K

I

V

R

S

M

V

M

L

R

K

A

A

L

L

G

G

A

A

E

E

I

I

-

I

-

R

-

T

-

P

R

T

Y

A

V

A

E

A

G

W

D

D

F

S

A

P

E

E

D

S

Q

H

V

I

A

G

V

V

V

-

E

-

R

-

Q

-

R

-

L

-

A

A

A

K

Q

K

L

L

G

E

A

K

Q

E

L

I

P

P

G

G

A

A

M

V

F

I

M

L

N

D

Q
|
Q

S

Y

D

N

N

N

P

M

A

M

N

N

P

P

D

E

G

A

-

H

Y

Y

A

F

G

G

L

T

V

G

D

R

E

E

L

I

I

Q

A

R

Q

Q

L

L

P

E

-

D

-

L

-
x
N

-

L

-

F

G
x
D

G
x
N

I

L

D

R

A

A

F

V

V

V

G

A

C

G

V
x
A

G
|
G

T
|
T

G
|
G

G

G

S
x
T

M

I

T

S

G

G

I

I

A

S

Q

K

R

Y

L

L

K

K

R

E

H

Q

N

N

P

D

A

K

V

I

R

Q

T

I

I

V

A

G

V

A

E

D

P

P

A

F

G

G

S

S

I

I

V

L

F

-

G

A

K

Q

P

P

G

E

H

N

-

L

-

N

-

K

-

T

-

D

-

I

-

T

P

D

Y

Y

Y

K

Q

V

S

E

G
|
G

T

I

G

G

T

Y

P

-

A

-

G

-

D

D

E

F

V

V

G

P

K

Q

V

V

L

L

D

D

Y

R

G

K

C

L

I

I

D

D

E

V

G

W

V

Y

Q

K

V

T

T

D

D

D

V

K

Q

P

A

S

F

F

E

K

T

Y

A

A

R

R

Y

Q

I

L

A

I

R

S

R

N

K

E

G

G

L

V

L

L

V

V

G

G

S
|
S

T

S

G

G

G

S

A

A

I

F

F

T

K

A

A

V

L

V

E

K

F

Y

I

C

V

E

E

D

G

H

-

P

K

E

L

L

T

T

-

E

-

D

G

D

T

V

V

I

V

V

T

A

T

I

V

F

A
x
P

D
|
D

G

S

G

I

E

R

K

S

Y

Y

L

L

G

T

T

K

I

F

F

V

D

D

E

E

W

W

M

L

A

K

K

K

R

N

L

L

L

W

E

D

P

D

A

D

I

V

A

L

A

A

Q

R

L

F

binding calcium ion: N180 (vs. gap), D183 (≠ G169), N184 (≠ G170)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: K50 (= K41), T78 (≠ S68), S79 (= S69), N81 (= N71), T82 (= T72), Q154 (= Q146), A192 (≠ V178), G193 (= G179), T194 (= T180), G195 (= G181), T197 (≠ S183), G242 (= G222), S286 (= S269), P315 (≠ A295), D316 (= D296)

6c2qA Crystal structures of cystathionine beta-synthase from saccharomyces cerevisiae: the structure of the plp-l-serine intermediate (see paper)
33% identity, 96% coverage: 5:325/336 of query aligns to 10:345/345 of 6c2qA

query
sites
6c2qA

T

N

V

V

T

I

Q

D

L

L

I

V

G

G

Q

N

T

T

P

P

V

L

M

I

S

A

I

L

D

K

-

K

V

L

P

P

E

K

R

A

-

L

-

G

-

I

D

K

A

P

T

Q

L

I

V

Y

L

A

K

K

I

L

E

E

K

L

N

Y

N

N

P

P

G

G

S

S

M

I

K
|
K

D

D

R

R

M

I

A

A

R

K

S

S

M

M

V

V

V

E

A

E

A

A

L

E

E

A

D

S

G

G

R

R

L

I

A

H

P

P

G

S

-

R

G

S

T

T

I

L

V

I

E

E

S

P

S
x
T

S
|
S

G

G

N
|
N

T
|
T

G

G

T

I

G

G

L

L

A

A

L

L

A

I

A

G

L

A

E

I

F

K

G

G

L

Y

R

R

F

T

I

I

A

I

V

T

V

L

D

P

H

E

H

K

A

M

A

S

P

N

D

E

K

K

I

V

R

S

M

V

M

L

R

K

A

A

L

L

G

G

A

A

E

E

I

I

-

I

-

R

-

T

-

P

R

T

Y

A

V

A

E

A

G

W

D

D

F

S

A

P

E

E

D

S

Q

H

V

I

A

G

V

V

V

-

E

-

R

-

Q

-

R

-

L

-

A

A

A

K

Q

K

L

L

G

E

A

K

Q

E

L

I

P

P

G

G

A

A

M

V

F

I

M

L

N

D

Q
|
Q

S

Y

D

N

N

N

P

M

A

M

N

N

P

P

D

E

G

A

-

H

Y

Y

A

F

G

G

L

T

V

G

D

R

E

E

L

I

I

Q

A

R

Q

Q

L

L

P

E

-

D

-

L

-
x
N

-

L

-

F

G
x
D

G
x
N

I

L

D

R

A

A

F

V

V

V

G

A

C

G

V
x
A

G
|
G

T
|
T

G
|
G

G

G

S
x
T

M

I

T

S

G

G

I

I

A

S

Q

K

R

Y

L

L

K

K

R

E

H

Q

N

N

P

D

A

K

V

I

R

Q

T

I

I

V

A

G

V

A

E

D

P

P

A

F

G

G

S

S

I

I

V

L

F

-

G

A

K

Q

P

P

G

E

H

N

-

L

-

N

-

K

-

T

-

D

-

I

-

T

P

D

Y

Y

Y

K

Q

V

S

E

G
|
G

T

I

G

G

T
x
Y

P

-

A

-

G

-

D

D

E

F

V

V

G

P

K

Q

V

V

L

L

D

D

Y

R

G

K

C

L

I

I

D

D

E

V

G

W

V

Y

Q

K

V

T

T

D

D

D

V

K

Q

P

A

S

F

F

E

K

T

Y

A

A

R

R

Y

Q

I

L

A

I

R

S

R

N

K

E

G

G

L

V

L

L

V

V

G

G

S
|
S

T

S

G

G

G

S

A

A

I

F

F

T

K

A

A

V

L

V

E

K

F

Y

I

C

V

E

E

D

G

H

-

P

K

E

L

L

T

T

-

E

-

D

G

D

T

V

V

I

V

V

T

A

T

I

V

F

A
x
P

D
|
D

G

S

G

I

E

R

K

S

Y

Y

L

L

G

T

T

K

I

F

F

V

D

D

E

E

W

W

M

L

A

K

K

K

R

N

L

L

L

W

E

D

P

D

A

D

I

V

A

L

A

A

Q

R

L

F

binding calcium ion: N180 (vs. gap), D183 (≠ G169), N184 (≠ G170)
binding L-Serine, N-[[3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]-4-pyridinyl]methylene]: K50 (= K41), T78 (≠ S68), S79 (= S69), N81 (= N71), T82 (= T72), Q154 (= Q146), A192 (≠ V178), G193 (= G179), T194 (= T180), G195 (= G181), T197 (≠ S183), G242 (= G222), Y245 (≠ T225), S286 (= S269), P315 (≠ A295), D316 (= D296)

6c2hA Crystal structures of cystathionine beta-synthase from saccharomyces cerevisiae: the structure of the catalytic core (see paper)
33% identity, 96% coverage: 5:325/336 of query aligns to 10:345/345 of 6c2hA

query
sites
6c2hA

T

N

V

V

T

I

Q

D

L

L

I

V

G

G

Q

N

T

T

P

P

V

L

M

I

S

A

I

L

D

K

-

K

V

L

P

P

E

K

R

A

-

L

-

G

-

I

D

K

A

P

T

Q

L

I

V

Y

L

A

K

K

I

L

E

E

K

L

N

Y

N

N

P

P

G

G

S

S

M

I

K
|
K

D

D

R

R

M

I

A

A

R

K

S

S

M

M

V

V

V

E

A

E

A

A

L

E

E

A

D

S

G

G

R

R

L

I

A

H

P

P

G

S

-

R

G

S

T

T

I

L

V

I

E

E

S

P

S

T

S

S

G

G

N
|
N

T

T

G

G

T

I

G

G

L

L

A

A

L

L

A

I

A

G

L

A

E

I

F

K

G

G

L

Y

R

R

F

T

I

I

A

I

V

T

V

L

D

P

H

E

H

K

A

M

A

S

P

N

D

E

K

K

I

V

R

S

M

V

M

L

R

K

A

A

L

L

G

G

A

A

E

E

I

I

-

I

-

R

-

T

-

P

R

T

Y

A

V

A

E

A

G

W

D

D

F

S

A

P

E

E

D

S

Q

H

V

I

A

G

V

V

V

-

E

-

R

-

Q

-

R

-

L

-

A

A

A

K

Q

K

L

L

G

E

A

K

Q

E

L

I

P

P

G

G

A

A

M

V

F

I

M

L

N

D

Q

Q

S

Y

D

N

N

N

P

M

A

M

N

N

P

P

D

E

G

A

-

H

Y

Y

A

F

G

G

L

T

V

G

D

R

E

E

L

I

I

Q

A

R

Q

Q

L

L

P

E

-

D

-

L

-
x
N

-

L

-

F

G
x
D

G
x
N

I

L

D

R

A

A

F

V

V

V

G

A

C

G

V
x
A

G
|
G

T
|
T

G
|
G

G

G

S
x
T

M

I

T

S

G

G

I

I

A

S

Q

K

R

Y

L

L

K

K

R

E

H

Q

N

N

P

D

A

K

V

I

R

Q

T

I

I

V

A

G

V

A

E

D

P

P

A

F

G

G

S

S

I

I

V

L

F

-

G

A

K

Q

P

P

G

E

H

N

-

L

-

N

-

K

-

T

-

D

-

I

-

T

P

D

Y

Y

Y

K

Q

V

S

E

G
|
G

T

I

G

G

T

Y

P

-

A

-

G

-

D

D

E

F

V

V

G

P

K

Q

V

V

L

L

D

D

Y

R

G

K

C

L

I

I

D

D

E

V

G

W

V

Y

Q

K

V

T

T

D

D

D

V

K

Q

P

A

S

F

F

E

K

T

Y

A

A

R

R

Y

Q

I

L

A

I

R

S

R

N

K

E

G

G

L

V

L

L

V

V

G

G

S
|
S

T

S

G

G

G

S

A

A

I

F

F

T

K

A

A

V

L

V

E

K

F

Y

I

C

V

E

E

D

G

H

-

P

K

E

L

L

T

T

-

E

-

D

G

D

T

V

V

I

V

V

T

A

T

I

V

F

A
x
P

D
|
D

G

S

G

I

E

R

K

S

Y

Y

L

L

G

T

T

K

I

F

F

V

D

D

E

E

W

W

M

L

A

K

K

K

R

N

L

L

L

W

E

D

P

D

A

D

I

V

A

L

A

A

Q

R

L

F

binding calcium ion: N180 (vs. gap), D183 (≠ G169), N184 (≠ G170)
binding pyridoxal-5'-phosphate: K50 (= K41), N81 (= N71), A192 (≠ V178), G193 (= G179), T194 (= T180), G195 (= G181), T197 (≠ S183), G242 (= G222), S286 (= S269), P315 (≠ A295), D316 (= D296)

6c4pA Crystal structures of cystathionine beta-synthase from saccharomyces cerevisiae: the structure of the pmp complex (see paper)
33% identity, 96% coverage: 5:325/336 of query aligns to 9:344/344 of 6c4pA

query
sites
6c4pA

T

N

V

V

T

I

Q

D

L

L

I

V

G

G

Q

N

T

T

P

P

V

L

M

I

S

A

I

L

D

K

-

K

V

L

P

P

E

K

R

A

-

L

-

G

-

I

D

K

A

P

T

Q

L

I

V

Y

L

A

K

K

I

L

E

E

K

L

N

Y

N

N

P

P

G

G

S

S

M

I

K
|
K

D

D

R

R

M

I

A

A

R

K

S

S

M

M

V

V

V

E

A

E

A

A

L

E

E

A

D

S

G

G

R

R

L

I

A

H

P

P

G

S

-

R

G

S

T

T

I

L

V

I

E

E

S

P

S

T

S

S

G

G

N
|
N

T

T

G

G

T

I

G

G

L

L

A

A

L

L

A

I

A

G

L

A

E

I

F

K

G

G

L

Y

R

R

F

T

I

I

A

I

V

T

V

L

D

P

H

E

H

K

A

M

A

S

P

N

D

E

K

K

I

V

R

S

M

V

M

L

R

K

A

A

L

L

G

G

A

A

E

E

I

I

-

I

-

R

-

T

-

P

R

T

Y

A

V

A

E

A

G

W

D

D

F

S

A

P

E

E

D

S

Q

H

V

I

A

G

V

V

V

-

E

-

R

-

Q

-

R

-

L

-

A

A

A

K

Q

K

L

L

G

E

A

K

Q

E

L

I

P

P

G

G

A

A

M

V

F

I

M

L

N

D

Q

Q

S

Y

D

N

N

N

P

M

A

M

N

N

P

P

D

E

G

A

-

H

Y

Y

A

F

G

G

L

T

V

G

D

R

E

E

L

I

I

Q

A

R

Q

Q

L

L

P

E

-

D

-

L

-
x
N

-

L

-

F

G
x
D

G
x
N

I

L

D

R

A

A

F

V

V

V

G

A

C

G

V
x
A

G
|
G

T
|
T

G
|
G

G

G

S
x
T

M

I

T

S

G

G

I

I

A

S

Q

K

R

Y

L

L

K

K

R

E

H

Q

N

N

P

D

A

K

V

I

R

Q

T

I

I

V

A

G

V

A

E

D

P

P

A

F

G

G

S

S

I

I

V

L

F

-

G

A

K

Q

P

P

G

E

H

N

-

L

-

N

-

K

-

T

-

D

-

I

-

T

P

D

Y

Y

Y

K

Q

V

S

E

G
|
G

T

I

G

G

T

Y

P

-

A

-

G

-

D

D

E

F

V

V

G

P

K

Q

V

V

L

L

D

D

Y

R

G

K

C

L

I

I

D

D

E

V

G

W

V

Y

Q

K

V

T

T

D

D

D

V

K

Q

P

A

S

F

F

E

K

T

Y

A

A

R

R

Y

Q

I

L

A

I

R

S

R

N

K

E

G

G

L

V

L

L

V

V

G

G

S
|
S

T

S

G

G

G

S

A

A

I

F

F

T

K

A

A

V

L

V

E

K

F

Y

I

C

V

E

E

D

G

H

-

P

K

E

L

L

T

T

-

E

-

D

G

D

T

V

V

I

V

V

T

A

T

I

V

F

A
x
P

D
|
D

G

S

G

I

E

R

K

S

Y

Y

L

L

G

T

T

K

I

F

F

V

D

D

E

E

W

W

M

L

A

K

K

K

R

N

L

L

L

W

E

D

P

D

A

D

I

V

A

L

A

A

Q

R

L

F

binding calcium ion: N179 (vs. gap), D182 (≠ G169), N183 (≠ G170)
binding 4'-deoxy-4'-aminopyridoxal-5'-phosphate: K49 (= K41), N80 (= N71), A191 (≠ V178), G192 (= G179), T193 (= T180), G194 (= G181), T196 (≠ S183), G241 (= G222), S285 (= S269), P314 (≠ A295), D315 (= D296)

6vjuB Crystal structure of cystathionine beta synthase from legionella pneumophila with llp, plp, and homocysteine
35% identity, 94% coverage: 1:317/336 of query aligns to 2:317/317 of 6vjuB

query
sites
6vjuB

M

M

L

I

H

Y

T

P

T

N

V

I

T

L

Q

A

L

T

I

I

G

G

Q

H

T

T

P

P

V

V

M

V

S

K

I

I

D

N

V

R

P

L

E

G

R

K

D

D

-

L

-

E

A

C

T

E

L

L

V

Y

L

A

K

K

I

C

E

E

K

F

N

F

N

N

P

P

G

G

S

S

M

V

K
|
K

D

D

R

R

M

I

A

G

R

Y

S

E

M

M

V

V

A

K

A

A

L

E

E

K

D

E

G

G

R

R

L

I

A

K

P

P

G

G

G

D

T

T

I

L

V

I

E

E

S

P

S

T

S

S

G

G

N
|
N

T

T

G

G

T

I

G

G

L

I

A

A

L

L

A

A

A

G

L

A

E

V

F

L

G

G

L

Y

R

K

F

V

I

I

A

I

V

T

V

M

D

P

H

E

H

K

A

M

A

S

P

Q

D

E

K

K

I

Q

R

S

M

V

M

L

R

E

A

R

L

L

G

G

A

A

E

I

I

I

R

Y

Y

R

V

T

E

P

G

T

D

E

F

A

A

A

E

Y

D

N

Q

D

V

P

A

D

V

-

E

S

R

H

Q

I

R

S

L

L

A

A

A

K

Q

K

L

L

G

Q

A

A

Q

E

L

I

P

P

G

N

A

S

M

H

F

I

M

L

N

D

Q

Q

S

Y

D

A

N

N

P

P

A

N

N

N

P

P

D

N

G

A

-

H

Y

Y

A

F

G

G

L

T

V

A

D

Q

E

E

L

I

I

I

A

D

Q

D

L

F

P

G

G

K

G

D

I

L

D

H

A

M

F

V

V

V

G

A

C

G

V

V

G
|
G

T
|
T

G
|
G

G

G

S
x
T

M

I

T

T

G

G

I

I

A

A

Q

K

R

R

L

L

K

K

R

E

H

F

N

N

P

P

A

A

V

I

R

K

T

I

I

I

A

G

V

A

E

D

P

P

A

E

G

G

S

S

I

I

V

L

-

G

F

G

G

G

K

T

P

E

G

I

H

K

P

S

Y

Y

Y

H

Q

V

S

E

G
|
G

T

I

G

G

T

Y

P

-

A

-

G

-

D

D

E

F

V

F

G

P

K

D

V

V

L

L

D

D

Y

N

G

T

C

L

I

I

D

D

E

A

G

Y

V

I

Q

K

V

T

T

N

D

D

V

A

Q

D

A

S

F

F

E

R

T

T

A

A

R

R

Y

R

I

L

A

I

R

K

R

E

K

E

G

G

L

L

V

I

G

G

S
|
S

T

C

G

G

G

A

A

A

I

M

F

W

K

A

A

A

L

L

E

Q

F

A

I

A

V

K

E

S

G

L

K

S

L

K

T

G

G

Q

T

K

V

C

V

L

T

V

T

I

V

L

A
x
P

D
|
D

G

S

G

I

E

R

K

N

Y

Y

L

M

G

S

T

K

I

F

F

A

D

N

D

D

E

E

W

W

M

M

A

K

K

E

R

M

R

G

L

F

L

L

binding pyridoxal-5'-phosphate: K44 (= K41), N74 (= N71), G181 (= G179), T182 (= T180), G183 (= G181), T185 (≠ S183), G225 (= G222), S269 (= S269), P295 (≠ A295), D296 (= D296)

5d85A Staphyloferrin b precursor biosynthetic enzyme sbna bound to aminoacrylate intermediate (see paper)
30% identity, 93% coverage: 3:315/336 of query aligns to 1:310/313 of 5d85A

query
sites
5d85A

H

H

T

D

T

S

V

L

T

L

Q

D

L

S

I

V

G

G

Q

Q

T

T

P

P

V

M

M

V

S

Q

I

L

D

H

V

Q

P

L

E

F

R

P

D

K

A

H

T

E

L

V

V

F

L

A

K

K

I

L

E

E

K

Y

N

M

N

N

P

P

G

G

S

S

M

M

K
|
K

D

D

R

R

M

P

A

A

R

K

S

Y

M

I

V

I

V

E

A

H

A

G

L

I

E

K

D

H

G

G

R

L

L

I

A

T

P

E

G

N

G

T

T

H

I

L

V

I

E

E

S

S

S
x
T

S
|
S

G

G

N
|
N

T
x
L

G

G

T

I

G

A

L

L

A

A

L

M

A

I

A

A

L

K

E

I

F

K

G

G

L

L

R

K

F

L

I

T

A

C

V

V

D

D

H

P

H
x
K

A

I

A

S

P

P

D

T

K

N

I

L

R

K

M

I

R

K

A

S

L

Y

G

G

A

A

E

N

I

V

R

E

Y

M

V

V

E

E

-

E

-

P

-

D

-

A

-

H

G

G

D
x
G

F
x
Y

A
x
L

E

M

D

T

Q
x
R

V

I

A

A

V

K

V

V

E

Q

R

-

Q

-

R

-

L

-

A

-

Q

E

L

L

G

L

A

A

Q

T

L

I

P

D

G

D

A

A

M

Y

F

W

M

I

N

N

Q
|
Q

S

Y

D

A

N

N

P

E

A

L

N

N

-

W

P

Q

D

S

G

H

Y

Y

A

H

G

G

L

A

V

G

D

T

E

E

L

I

I

V

A

E

Q

T

L

I

P

K

G

Q

G

P

I

I

D

D

A

Y

F

F

V

V

G

A

C

P

V
|
V

G
x
S

T
|
T

G
x
T

G

G

S
|
S

M

I

T

M

G

G

I

M

A

S

Q

R

R

K

L

I

K

K

R

E

H

V

N

H

P

P

A

N

V

A

R

Q

T

I

I

V

A

A

V

V

E

D

P

A

A

K

G

G

S

S

I

V

V

I

F

F

G

G

K

D

P

K

G

-

H

-

P

P

Y

I

Y

N

Q
x
R

S

E

G

L

T

P

G
|
G

T

I

P

G

A
|
A

G
x
S

D

-

E

R

V

V

G

P

K

E

V

I

L

L

D

N

Y

R

G

S

C

E

I

I

D

N

E

Q

G

V

V

I

Q

H

V

V

T

D

D

D

V

Y

Q

Q

A

S

F

A

E

L

T

G

A

C

R

R

Y

K

I

L

A

I

R

D

R

Y

K

E

G

G

L

I

L

F

V

A

G

G

S
|
S

T

T

G

G

G

S

A

I

I

I

F

A

K

A

A

I

L

E

E

Q

F

L

I

I

V

T

E

S

G

I

K

E

L

E

T

G

G

A

T

T

V

I

V

V

T

T

T

I

V

L

A
x
P

D
|
D

G

R

G

G

E

D

K

R

Y

Y

L

L

G

D

T

L

I

V

F

Y

D

S

D

D

E

T

W

W

M

L

A

E

K

K

R

M

R

K

active site: K39 (= K41), S264 (= S269)
binding citrate anion: S67 (= S69), K92 (≠ H94), G119 (≠ D116), Y120 (≠ F117), L121 (≠ A118), R124 (≠ Q121), R216 (≠ Q220), A223 (= A227), S224 (≠ G228)
binding 2-[({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)amino]acrylic acid: K39 (= K41), T66 (≠ S68), S67 (= S69), N69 (= N71), L70 (≠ T72), Q143 (= Q146), V176 (= V178), S177 (≠ G179), T178 (= T180), T179 (≠ G181), S181 (= S183), G220 (= G224), S264 (= S269), P290 (≠ A295), D291 (= D296)

A6QDA0 N-(2-amino-2-carboxyethyl)-L-glutamate synthase; ACEGA synthase; Staphyloferrin B biosynthesis protein SbnA; EC 2.5.1.140 from Staphylococcus aureus (strain Newman) (see paper)
30% identity, 93% coverage: 3:315/336 of query aligns to 9:318/326 of A6QDA0

query
sites
A6QDA0

H

H

T

D

T

S

V

L

T

L

Q

D

L

S

I

V

G

G

Q

Q

T

T

P

P

V

M

M

V

S

Q

I

L

D

H

V

Q

P

L

E

F

R

P

D

K

A

H

T

E

L

V

V

F

L

A

K

K

I

L

E

E

K

Y

N

M

N

N

P

P

G

G

S

S

M

M

K
|
K

D

D

R

R

M

P

A

A

R

K

S

Y

M

I

V

I

V

E

A

H

A

G

L

I

E

K

D

H

G

G

R

L

L

I

A

T

P

E

G

N

G

T

T

H

I

L

V

I

E

E

S

S

S

T

S

S

G

G

N
|
N

T

L

G

G

T

I

G

A

L

L

A

A

L

M

A

I

A

A

L

K

E

I

F

K

G

G

L

L

R

K

F

L

I

T

A

C

V

V

D

D

H

P

H

K

A

I

A

S

P

P

D

T

K

N

I

L

R

K

M

I

R

K

A

S

L

Y

G

G

A

A

E

N

I

V

R

E

Y

M

V

V

E

E

-

E

-

P

-

D

-

A

-

H

G

G

D

G

F

Y

A

L

E

M

D

T

Q
x
R

V

I

A

A

V

K

V

V

E

Q

R

-

Q

-

R

-

L

-

A

-

Q

E

L

L

G

L

A

A

Q

T

L

I

P

D

G

D

A

A

M

Y

F

W

M

I

N

N

Q

Q

S
x
Y

D

A

N

N

P

E

A

L

N

N

-

W

P

Q

D

S

G

H

Y

Y

A

H

G

G

L

A

V

G

D

T

E

E

L

I

I

V

A

E

Q

T

L

I

P

K

G

Q

G

P

I

I

D

D

A

Y

F

F

V

V

G

A

C

P

V

V

G
x
S

T
|
T

G
x
T

G
|
G

S
|
S

M

I

T

M

G

G

I

M

A

S

Q

R

R

K

L

I

K

K

R

E

H

V

N

H

P

P

A

N

V

A

R

Q

T

I

I

V

A

A

V

V

E

D

P

A

A

K

G

G

S

S

I

V

V

I

F

F

G

G

K

D

P

K

G

-

H

-

P

P

Y

I

Y

N

Q

R

S

E

G

L

T

P

G

G

T

I

P

G

A

A

G

S

D

-

E

R

V

V

G

P

K

E

V

I

L

L

D

N

Y

R

G

S

C

E

I

I

D

N

E

Q

G

V

V

I

Q

H

V

V

T

D

D

D

V

Y

Q

Q

A

S

F

A

E

L

T

G

A

C

R

R

Y

K

I

L

A

I

R

D

R

Y

K

E

G

G

L

I

L

F

V

A

G

G

S
|
S

T

T

G

G

G

S

A

I

I

I

F

A

K

A

A

I

L

E

E

Q

F

L

I

I

V

T

E

S

G

I

K

E

L

E

T

G

G

A

T

T

V

I

V

V

T

T

T

I

V

L

A

P

D

D

G

R

G

G

E

D

K

R

Y

Y

L

L

G

D

T

L

I

V

F

Y

D

S

D

D

E

T

W

W

M

L

A

E

K

K

R

M

R

K

K47 (= K41) modified: N6-(pyridoxal phosphate)lysine
N77 (= N71) binding pyridoxal 5'-phosphate
R132 (≠ Q121) mutation to A: No detectable enzyme activity. Does not form pyridoxal 5'-phosphate-alpha-aminoacrylate reaction intermediate.
Y152 (≠ S147) mutation to F: Very low enzyme activity. Does not form pyridoxal 5'-phosphate-alpha-aminoacrylate reaction intermediate; when associated with G-185.
STTGS 185:189 (≠ GTGGS 179:183) binding pyridoxal 5'-phosphate
S272 (= S269) binding pyridoxal 5'-phosphate

Query Sequence

>WP_012706417.1 NCBI__GCF_000018545.1:WP_012706417.1
MLHTTVTQLIGQTPVMSIDVPERDATLVLKIEKNNPGGSMKDRMARSMVVAALEDGRLAP
GGTIVESSSGNTGTGLALAALEFGLRFIAVVDHHAAPDKIRMMRALGAEIRYVEGDFAED
QVAVVERQRLAAQLGAQLPGAMFMNQSDNPANPDGYAGLVDELIAQLPGGIDAFVGCVGT
GGSMTGIAQRLKRHNPAVRTIAVEPAGSIVFGKPGHPYYQSGTGTPAGDEVGKVLDYGCI
DEGVQVTDVQAFETARYIARRKGLLVGGSTGGAIFKALEFIVEGKLTGTVVTTVADGGEK
YLGTIFDDEWMAKRRLLEPAIAAQLDGWLAGRARAA

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