SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_020176284.1 NCBI__GCF_000385335.1:WP_020176284.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

8suiB Joint x-ray/neutron structure of thermus thermophilus serine hydroxymethyltransferase (tthshmt) in internal aldimine state with l- ser bound in a pre-michalis complex (see paper)
67% identity, 86% coverage: 31:403/433 of query aligns to 10:383/402 of 8suiB

query
sites
8suiB

I

I

A

A

Q

L

E

E

L

E

G

K

R

R

Q

Q

R

R

D

E

E

G

I

L

E

E

L

L

I

I

A

A

S

S

E

E

N

N

I

F

V

V

S

S

K

K

A

Q

V

V

L

R

E

E

A

A

Q

V

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y

Y

A

A

E

E

G

G

Y

Y

P

P

G

G

R

A

R

R

Y
|
Y

G

G

C

C

Q

E

F

V

V

I

D

D

I

R

A

V

E

E

N

S

L

L

A

A

I

I

E

E

R

R

V

A

K

K

R

A

L

L

F

F

D

G

C

A

G

A

F

W

A

A

N

N

V

V

Q

Q

P

P

N

H

S

S

G

G

S

S

Q

Q

A

A

N

N

Q

M

A

A

V

V

F

Y

L

M

A

A

L

L

L

M

Q

E

P

P

G

G

D

D

T

T

F

L

L

M

G

G

L

M

D

D

L

L

A

A

G

G

H

H

L

L

T

T

H

H

G

G

S

S

P

R

V

V

N

N

M

F

S

S

G

G

K

K

W

L

F

Y

K

K

P

V

V

V

S

S

Y

Y

G

G

V

V

R

R

Q

P

D

D

D

T

H

E

L

L

I

I

D

D

M

L

E

E

K

E

L

V

A

R

E

R

L

L

A

A

L

L

E

E

H

H

K

R

P

P

K

K

M

V

I

I

I

V

A

A

G

G

G

A

S

S

A

A

Y

Y

P

P

R

R

F

F

W

W

D

D

F

F

A

K

K

A

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

V

V

V

D

D

M

M

A

A

H

H

F

F

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

L

P

P

H

Y

A

A

H

H

V

V

T

T

S

S

T

T

H

H

K

K

T

T

L

L

R

R

G

G

P

P

R

R

G

G

L

L

V

I

L

L

T

S

N

N

D

D

Q

P

D

E

I

L

A

G

K

K

K

R

I

I

N

D

S

K

A

L

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

G

K

K

A

A

V

V

A

A

F

F

G

F

E

E

A

A

L

L

Q

Q

P

P

S

E

F

F

K

K

I

E

Y

Y

A

S

R

R

Q

L

V

V

E

E

N

N

A

A

K

K

A

R

L

L

A

A

S

E

I

L

L

A

E

R

G

R

G

G

F

Y

D

R

L

I

A

V

S

T

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

L

R

R

P

P

K

K

N

G

L

L

T

T

G

G

K

K

A

E

A

A

E

E

A

E

A

R

L

L

G

D

R

A

A

V

H

G

I

I

T

T

C

V

N

N

K

K

N

N

G

A

V

I

P

P

F

F

D

D

T

P

A

K

S

P

P

P

M

R

V

V

T

T

S

S

G

G

I

I

R

R

L

I

G

G

A

T

P

P

A

A

A

I

T

T

S

T

R

R

G

G

F

F

G

T

I

P

A

E

E

E

F

M

K

P

K

L

V

V

G

A

E

E

L

L

I

I

V

D

E

R

-

A

L

L

D

E

G

G

binding serine: Y55 (= Y76), Y56 (= Y77)

8ssyA Room-temperature x-ray structure of thermus thermophilus serine hydroxymethyltransferase (shmt) bound with d-ser in a pseudo- michaelis complex (see paper)
67% identity, 86% coverage: 31:403/433 of query aligns to 10:383/402 of 8ssyA

query
sites
8ssyA

I

I

A

A

Q

L

E

E

L

E

G

K

R

R

Q

Q

R

R

D

E

E

G

I

L

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

V

S

S

K

K

A

Q

V

V

L

R

E

E

A

A

Q

V

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y

Y

A

A

E

E

G

G

Y

Y

P

P

G

G

R

A

R

R

Y

Y

G

G

C

C

Q

E

F

V

V

I

D

D

I

R

A

V

E

E

N

S

L

L

A

A

I

I

E

E

R

R

V

A

K

K

R

A

L

L

F

F

D

G

C

A

G

A

F

W

A

A

N

N

V

V

Q

Q

P

P

N

H

S

S

G

G

S

S

Q

Q

A

A

N

N

Q

M

A

A

V

V

F

Y

L

M

A

A

L

L

L

M

Q

E

P

P

G

G

D

D

T

T

F

L

L

M

G

G

L

M

D

D

L

L

A

A

G

G

H

H

L

L

T

T

H

H

G

G

S

S

P

R

V

V

N

N

M

F

S

S

G

G

K

K

W

L

F

Y

K

K

P

V

V

V

S

S

Y

Y

G

G

V

V

R

R

Q

P

D

D

D

T

H

E

L

L

I

I

D

D

M

L

E

E

K

E

L

V

A

R

E

R

L

L

A

A

L

L

E

E

H

H

K

R

P

P

K

K

M

V

I

I

I

V

A

A

G

G

G

A

S

S

A

A

Y

Y

P

P

R

R

F

F

W

W

D

D

F

F

A

K

K

A

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

V

V

V

D

D

M

M

A

A

H
|
H

F

F

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

L

P

P

H

Y

A

A

H

H

V

V

T

T

S

S

T

T

H

H

K
|
K

T

T

L

L

R

R

G

G

P

P

R

R

G

G

L

L

V

I

L

L

T

S

N

N

D

D

Q

P

D

E

I

L

A

G

K

K

K

R

I

I

N

D

S

K

A

L

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

G

K

K

A

A

V

V

A

A

F

F

G

F

E

E

A

A

L

L

Q

Q

P

P

S

E

F

F

K

K

I

E

Y

Y

A

S

R

R

Q

L

V

V

E

E

N

N

A

A

K

K

A

R

L

L

A

A

S

E

I

L

L

A

E

R

G

R

G

G

F

Y

D

R

L

I

A

V

S

T

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

L

R

R

P

P

K

K

N

G

L

L

T

T

G

G

K

K

A

E

A

A

E

E

A

E

A

R

L

L

G

D

R

A

A

V

H

G

I

I

T

T

C

V

N

N

K

K

N

N

G

A

V

I

P

P

F

F

D

D

T

P

A

K

S

P

P

P

M

R

V

V

T

T

S

S

G

G

I

I

R
|
R

L

I

G

G

A

T

P

P

A

A

A

I

T

T

S

T

R

R

G

G

F

F

G

T

I

P

A

E

E

E

F

M

K

P

K

L

V

V

G

A

E

E

L

L

I

I

V

D

E

R

-

A

L

L

D

E

G

G

binding d-serine: S26 (= S47), H195 (= H216), K221 (= K242), R353 (= R374)

2dkjA Crystal structure of t.Th.Hb8 serine hydroxymethyltransferase
67% identity, 86% coverage: 31:403/433 of query aligns to 10:383/402 of 2dkjA

query
sites
2dkjA

I

I

A

A

Q

L

E

E

L

E

G

K

R

R

Q

Q

R

R

D

E

E

G

I

L

E

E

L

L

I

I

A

A

S

S

E

E

N

N

I

F

V

V

S

S

K

K

A

Q

V

V

L

R

E

E

A

A

Q

V

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

A

R

R

Y

Y

G

G

C

C

Q

E

F

V

V

I

D

D

I

R

A

V

E

E

N

S

L

L

A

A

I

I

E

E

R

R

V

A

K

K

R

A

L

L

F

F

D

G

C

A

G

A

F

W

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

A

A

N

N

Q

M

A

A

V

V

F

Y

L

M

A

A

L

L

L

M

Q

E

P

P

G

G

D

D

T

T

F

L

L

M

G

G

L

M

D

D

L

L

A

A

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

R

V

V

N

N

M

F

S

S

G

G

K

K

W

L

F

Y

K

K

P

V

V

V

S

S

Y

Y

G

G

V

V

R

R

Q

P

D

D

D

T

H

E

L

L

I

I

D

D

M

L

E

E

K

E

L

V

A

R

E

R

L

L

A

A

L

L

E

E

H

H

K

R

P

P

K

K

M

V

I

I

I

V

A

A

G

G

G

A

S
|
S

A

A

Y

Y

P

P

R

R

F

F

W

W

D

D

F

F

A

K

K

A

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

V

V

V

D
|
D

M

M

A
|
A

H

H

F

F

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

L

P

P

H

Y

A

A

H

H

V

V

T

T

S

S

T
|
T

T

T

H
|
H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

L

V

I

L

L

T

S

N

N

D

D

Q

P

D

E

I

L

A

G

K

K

K

R

I

I

N

D

S

K

A

L

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

G

K

K

A

A

V

V

A

A

F

F

G

F

E

E

A

A

L

L

Q

Q

P

P

S

E

F

F

K

K

I

E

Y

Y

A

S

R

R

Q

L

V

V

E

E

N

N

A

A

K

K

A

R

L

L

A

A

S

E

I

L

L

A

E

R

G

R

G

G

F

Y

D

R

L

I

A

V

S

T

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

L

R

R

P

P

K

K

N

G

L

L

T

T

G

G

K

K

A

E

A

A

E

E

A

E

A

R

L

L

G

D

R

A

A

V

H

G

I

I

T

T

C

V

N

N

K

K

N

N

G

A

V

I

P

P

F

F

D

D

T

P

A

K

S

P

P

P

M

R

V

V

T

T

S

S

G

G

I

I

R

R

L

I

G

G

A

T

P

P

A

A

A

I

T

T

S

T

R

R

G

G

F

F

G

T

I

P

A

E

E

E

F

M

K

P

K

L

V

V

G

A

E

E

L

L

I

I

V

D

E

R

-

A

L

L

D

E

G

G

active site: Y46 (= Y67), E48 (= E69), D192 (= D213), T218 (= T239), K221 (= K242), R227 (= R248)
binding pyridoxal-5'-phosphate: S88 (= S109), G89 (= G110), S90 (= S111), H117 (= H138), S167 (= S188), D192 (= D213), A194 (= A215), H220 (= H241), K221 (= K242)

Q5SI56 Serine hydroxymethyltransferase; SHMT; Serine methylase; EC 2.1.2.1 from Thermus thermophilus (strain ATCC 27634 / DSM 579 / HB8)
67% identity, 86% coverage: 31:403/433 of query aligns to 15:388/407 of Q5SI56

query
sites
Q5SI56

I

I

A

A

Q

L

E

E

L

E

G

K

R

R

Q

Q

R

R

D

E

E

G

I

L

E

E

L

L

I

I

A

A

S

S

E

E

N

N

I

F

V

V

S

S

K

K

A

Q

V

V

L

R

E

E

A

A

Q

V

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E

E

G

G

Y

Y

P

P

G

G

R

A

R

R

Y

Y

G

G

C

C

Q

E

F

V

V

I

D

D

I

R

A

V

E

E

N

S

L

L

A

A

I

I

E

E

R

R

V

A

K

K

R

A

L

L

F

F

D

G

C

A

G

A

F

W

A

A

N

N

V

V

Q

Q

P

P

N

H

S

S

G
|
G

S
|
S

Q

Q

A

A

N

N

Q

M

A

A

V

V

F

Y

L

M

A

A

L

L

L

M

Q

E

P

P

G

G

D

D

T

T

F

L

L

M

G

G

L

M

D

D

L

L

A

A

G

G

H

H

L

L

T

T

H

H

G

G

S

S

P

R

V

V

N

N

M

F

S

S

G

G

K

K

W

L

F

Y

K

K

P

V

V

V

S

S

Y

Y

G

G

V

V

R

R

Q

P

D

D

D

T

H

E

L

L

I

I

D

D

M

L

E

E

K

E

L

V

A

R

E

R

L

L

A

A

L

L

E

E

H

H

K

R

P

P

K

K

M

V

I

I

I

V

A

A

G

G

G

A

S
|
S

A

A

Y

Y

P

P

R

R

F

F

W

W

D

D

F

F

A

K

K

A

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

V

V

V

D

D

M

M

A

A

H
|
H

F

F

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

L

P

P

H

Y

A

A

H

H

V

V

T

T

S

S

T

T

H
|
H

K
|
K

T

T

L

L

R

R

G

G

P

P

R

R

G

G

L

L

V

I

L

L

T

S

N

N

D

D

Q

P

D

E

I

L

A

G

K

K

K

R

I

I

N

D

S

K

A

L

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

G
|
G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

G

K

K

A

A

V

V

A

A

F

F

G

F

E

E

A

A

L

L

Q

Q

P

P

S

E

F

F

K

K

I

E

Y

Y

A

S

R

R

Q

L

V

V

E

E

N

N

A

A

K

K

A

R

L

L

A

A

S

E

I

L

L

A

E

R

G

R

G

G

F

Y

D

R

L

I

A

V

S

T

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

L

R

R

P

P

K

K

N

G

L

L

T

T

G

G

K

K

A

E

A

A

E

E

A

E

A

R

L

L

G

D

R

A

A

V

H

G

I

I

T

T

C

V

N

N

K

K

N

N

G

A

V

I

P

P

F

F

D

D

T

P

A

K

S

P

P

P

M

R

V

V

T

T

S

S

G

G

I

I

R

R

L

I

G

G

A

T

P

P

A

A

A

I

T

T

S

T

R

R

G

G

F

F

G

T

I

P

A

E

E

E

F

M

K

P

K

L

V

V

G

A

E

E

L

L

I

I

V

D

E

R

-

A

L

L

D

E

G

G

Y51 (= Y67) binding pyridoxal 5'-phosphate
GS 94:95 (= GS 110:111) binding pyridoxal 5'-phosphate
S172 (= S188) binding pyridoxal 5'-phosphate
H200 (= H216) binding pyridoxal 5'-phosphate
H225 (= H241) binding pyridoxal 5'-phosphate
K226 (= K242) modified: N6-(pyridoxal phosphate)lysine
G258 (= G274) binding pyridoxal 5'-phosphate

1kl2A Crystal structure of serine hydroxymethyltransferase complexed with glycine and 5-formyl tetrahydrofolate (see paper)
62% identity, 94% coverage: 20:427/433 of query aligns to 4:404/405 of 1kl2A

query
sites
1kl2A

L

L

A

P

E

Q

A

Q

D

D

P

P

E

Q

V

V

A

F

A

A

I

I

A

E

Q

Q

E

E

L

R

G

K

R

R

Q

Q

R

H

D

A

E

K

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

V

S

S

K

R

A

A

V

V

L

M

E

E

A

A

Q

Q

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

R

Y
|
Y

G

G

C

C

Q

E

F

Y

V

V

D

D

I

I

A

V

E

E

N

E

L

L

A

A

I

R

E

E

R

R

V

A

K

K

R

Q

L

L

F

F

D

G

C

A

G

E

F

H

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
x
A

Q

Q

A

A

N

N

Q

M

A

A

V

V

F

Y

L

F

A

T

L

V

L

L

Q

E

P

H

G

G

D

D

T

T

F

V

L

L

G

G

L

M

D

N

L

L

A

S

A

H

G

G

G
|
G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

F

S

S

G

G

K

V

W

Q

F

Y

K

N

P

F

V

V

S

A

Y

Y

G

G

V

V

R

D

Q

P

D

E

D

T

H

H

L

V

I

I

D

D

M

Y

E

D

K

D

L

V

A

R

E

E

L

K

A

A

L

R

E

L

H

H

K

R

P

P

K

K

M

L

I

I

I

V

A

A

G

A

S
|
S

A

A

Y

Y

P

P

R

R

F

I

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

V

P

P

H

Y

A

A

H

H

V

F

V

V

T

T

S

T

T
|
T

T

T

H
|
H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

M

V

I

L

L

T

C

N

Q

D

E

Q

Q

D

-

I

F

A

A

K

K

K

Q

I

I

N

D

S

K

A

A

V

I

F
|
F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

M

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

F

G

G

E

E

A

A

L

L

Q

Q

P

D

S

D

F

F

K

K

I

A

Y

Y

A

A

R

K

Q

R

V

V

E

D

N

N

A

A

K

K

A

R

L

L

A

A

S

S

S

A

I

L

L

Q

E

N

G

E

G

G

F

F

D

T

L

L

A

V

S

S

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

L

L

L

V

V

D

D

L

L

R

R

P

P

K

Q

N

Q

L

L

T

T

G

G

K

K

A

T

A

A

E

E

A

K

A

V

L

L

G

D

R

E

A

V

H

G

I

I

T

T

C

V

N

N

K

K

N
|
N

G

T

V

I

P

P

F

Y

D

D

T

P

A

E

S

S

P

P

M

F

V

V

T

T

S

S

G

G

I

I

R
|
R

L

I

G

G

A

T

P

A

A

A

A

V

T

T

S

T

R

R

G

G

F

F

G

G

I

L

A

E

E

E

F

M

K

D

K

E

V

I

G

A

E

A

L

I

I

I

V

G

E

L

L

V

L

L

D

-

G

-

L

-

A

-

K

K

N

N

G

V

D

G

E

S

K

E

N

Q

G

A

A

L

V

E

E

E

A

A

K

R

V

Q

K

R

A

-

D

-

V

V

A

A

G

A

L

L

T

T

active site: Y51 (= Y67), E53 (= E69), D197 (= D213), T223 (= T239), K226 (= K242), R232 (= R248)
binding N-{[4-({[(6R)-2-amino-5-formyl-4-oxo-1,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)phenyl]carbonyl}-L-glutamic acid: E53 (= E69), Y60 (= Y76), G121 (= G137), H122 (= H138), S172 (= S188), F251 (= F268), N341 (= N358)
binding glycine: S31 (= S47), Y51 (= Y67), Y61 (= Y77), H200 (= H216), R357 (= R374)
binding pyridoxal-5'-phosphate: S93 (= S109), G94 (= G110), A95 (≠ S111), H122 (= H138), S172 (= S188), D197 (= D213), A199 (= A215), H200 (= H216), T223 (= T239), H225 (= H241), K226 (= K242)

1kl1A Crystal structure of serine hydroxymethyltransferase complexed with glycine (see paper)
62% identity, 94% coverage: 20:427/433 of query aligns to 4:404/405 of 1kl1A

query
sites
1kl1A

L

L

A

P

E

Q

A

Q

D

D

P

P

E

Q

V

V

A

F

A

A

I

I

A

E

Q

Q

E

E

L

R

G

K

R

R

Q

Q

R

H

D

A

E

K

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

V

S

S

K

R

A

A

V

V

L

M

E

E

A

A

Q

Q

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

R

Y

Y

G

G

C

C

Q

E

F

Y

V

V

D

D

I

I

A

V

E

E

N

E

L

L

A

A

I

R

E

E

R

R

V

A

K

K

R

Q

L

L

F

F

D

G

C

A

G

E

F

H

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
x
A

Q

Q

A

A

N

N

Q

M

A

A

V

V

F

Y

L

F

A

T

L

V

L

L

Q

E

P

H

G

G

D

D

T

T

F

V

L

L

G

G

L

M

D

N

L

L

A

S

A

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

F

S

S

G

G

K

V

W

Q

F

Y

K

N

P

F

V

V

S

A

Y

Y

G

G

V

V

R

D

Q

P

D

E

D

T

H

H

L

V

I

I

D

D

M

Y

E

D

K

D

L

V

A

R

E

E

L

K

A

A

L

R

E

L

H

H

K

R

P

P

K

K

M

L

I

I

I

V

A

A

G

A

G
x
A

S
|
S

A

A

Y

Y

P

P

R

R

F

I

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

V

P

P

H

Y

A

A

H

H

V

F

V

V

T

T

S

T

T
|
T

T

T

H
|
H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

M

V

I

L

L

T

C

N

Q

D

E

Q

Q

D

-

I

F

A

A

K

K

K

Q

I

I

N

D

S

K

A

A

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

M

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

F

G

G

E

E

A

A

L

L

Q

Q

P

D

S

D

F

F

K

K

I

A

Y

Y

A

A

R

K

Q

R

V

V

E

D

N

N

A

A

K

K

A

R

L

L

A

A

S

S

S

A

I

L

L

Q

E

N

G

E

G

G

F

F

D

T

L

L

A

V

S

S

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

L

L

L

V

V

D

D

L

L

R

R

P

P

K

Q

N

Q

L

L

T

T

G

G

K

K

A

T

A

A

E

E

A

K

A

V

L

L

G

D

R

E

A

V

H

G

I

I

T

T

C

V

N

N

K

K

N

N

G

T

V

I

P

P

F

Y

D

D

T

P

A

E

S

S

P

P

M

F

V

V

T

T

S

S

G

G

I

I

R
|
R

L

I

G

G

A

T

P

A

A

A

A

V

T

T

S

T

R

R

G

G

F

F

G

G

I

L

A

E

E

E

F

M

K

D

K

E

V

I

G

A

E

A

L

I

I

I

V

G

E

L

L

V

L

L

D

-

G

-

L

-

A

-

K

K

N

N

G

V

D

G

E

S

K

E

N

Q

G

A

A

L

V

E

E

E

A

A

K

R

V

Q

K

R

A

-

D

-

V

V

A

A

G

A

L

L

T

T

active site: Y51 (= Y67), E53 (= E69), D197 (= D213), T223 (= T239), K226 (= K242), R232 (= R248)
binding glycine: S31 (= S47), H122 (= H138), R357 (= R374)
binding pyridoxal-5'-phosphate: S93 (= S109), G94 (= G110), A95 (≠ S111), H122 (= H138), A171 (≠ G187), S172 (= S188), D197 (= D213), A199 (= A215), H200 (= H216), T223 (= T239), H225 (= H241), K226 (= K242)

1kkpA Crystal structure of serine hydroxymethyltransferase complexed with serine (see paper)
62% identity, 94% coverage: 20:427/433 of query aligns to 4:404/405 of 1kkpA

query
sites
1kkpA

L

L

A

P

E

Q

A

Q

D

D

P

P

E

Q

V

V

A

F

A

A

I

I

A

E

Q

Q

E

E

L

R

G

K

R

R

Q

Q

R

H

D

A

E

K

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

V

S

S

K

R

A

A

V

V

L

M

E

E

A

A

Q

Q

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

R

Y

Y

G

G

C

C

Q

E

F

Y

V

V

D

D

I

I

A

V

E

E

N

E

L

L

A

A

I

R

E

E

R

R

V

A

K

K

R

Q

L

L

F

F

D

G

C

A

G

E

F

H

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
x
A

Q

Q

A

A

N

N

Q

M

A

A

V

V

F

Y

L

F

A

T

L

V

L

L

Q

E

P

H

G

G

D

D

T

T

F

V

L

L

G

G

L

M

D

N

L

L

A

S

A

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

F

S

S

G

G

K

V

W

Q

F

Y

K

N

P

F

V

V

S

A

Y

Y

G

G

V

V

R

D

Q

P

D

E

D

T

H

H

L

V

I

I

D

D

M

Y

E

D

K

D

L

V

A

R

E

E

L

K

A

A

L

R

E

L

H

H

K

R

P

P

K

K

M

L

I

I

I

V

A

A

G

A

S
|
S

A

A

Y

Y

P

P

R

R

F

I

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

V

P

P

H

Y

A

A

H

H

V

F

V

V

T

T

S

T

T
|
T

T

T

H

H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

M

V

I

L

L

T

C

N

Q

D

E

Q

Q

D

-

I

F

A

A

K

K

K

Q

I

I

N

D

S

K

A

A

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

M

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

F

G

G

E

E

A

A

L

L

Q

Q

P

D

S

D

F

F

K

K

I

A

Y

Y

A

A

R

K

Q

R

V

V

E

D

N

N

A

A

K

K

A

R

L

L

A

A

S

S

S

A

I

L

L

Q

E

N

G

E

G

G

F

F

D

T

L

L

A

V

S

S

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

L

L

L

V

V

D

D

L

L

R

R

P

P

K

Q

N

Q

L

L

T

T

G

G

K

K

A

T

A

A

E

E

A

K

A

V

L

L

G

D

R

E

A

V

H

G

I

I

T

T

C

V

N

N

K

K

N

N

G

T

V

I

P

P

F

Y

D

D

T

P

A

E

S

S

P

P

M

F

V

V

T

T

S

S

G

G

I

I

R
|
R

L

I

G

G

A

T

P

A

A

A

A

V

T

T

S

T

R

R

G

G

F

F

G

G

I

L

A

E

E

E

F

M

K

D

K

E

V

I

G

A

E

A

L

I

I

I

V

G

E

L

L

V

L

L

D

-

G

-

L

-

A

-

K

K

N

N

G

V

D

G

E

S

K

E

N

Q

G

A

A

L

V

E

E

E

A

A

K

R

V

Q

K

R

A

-

D

-

V

V

A

A

G

A

L

L

T

T

active site: Y51 (= Y67), E53 (= E69), D197 (= D213), T223 (= T239), K226 (= K242), R232 (= R248)
binding pyridoxal-5'-phosphate: S93 (= S109), G94 (= G110), A95 (≠ S111), H122 (= H138), S172 (= S188), D197 (= D213), A199 (= A215), H200 (= H216), K226 (= K242)
binding serine: S31 (= S47), H122 (= H138), R357 (= R374)

1kkjA Crystal structure of serine hydroxymethyltransferase from b.Stearothermophilus (see paper)
62% identity, 94% coverage: 20:427/433 of query aligns to 4:404/405 of 1kkjA

query
sites
1kkjA

L

L

A

P

E

Q

A

Q

D

D

P

P

E

Q

V

V

A

F

A

A

I

I

A

E

Q

Q

E

E

L

R

G

K

R

R

Q

Q

R

H

D

A

E

K

I

I

E

E

L

L

I

I

A

A

S

S

E

E

N

N

I

F

V

V

S

S

K

R

A

A

V

V

L

M

E

E

A

A

Q

Q

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

R

Y

Y

G

G

C

C

Q

E

F

Y

V

V

D

D

I

I

A

V

E

E

N

E

L

L

A

A

I

R

E

E

R

R

V

A

K

K

R

Q

L

L

F

F

D

G

C

A

G

E

F

H

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
x
A

Q

Q

A

A

N

N

Q

M

A

A

V

V

F

Y

L

F

A

T

L

V

L

L

Q

E

P

H

G

G

D

D

T

T

F

V

L

L

G

G

L

M

D

N

L

L

A

S

A

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

F

S

S

G

G

K

V

W

Q

F

Y

K

N

P

F

V

V

S

A

Y

Y

G

G

V

V

R

D

Q

P

D

E

D

T

H

H

L

V

I

I

D

D

M

Y

E

D

K

D

L

V

A

R

E

E

L

K

A

A

L

R

E

L

H

H

K

R

P

P

K

K

M

L

I

I

I

V

A

A

G

A

S
|
S

A

A

Y

Y

P

P

R

R

F

I

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

V

P

P

H

Y

A

A

H

H

V

F

V

V

T

T

S

T

T
|
T

T

T

H
|
H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

M

V

I

L

L

T

C

N

Q

D

E

Q

Q

D

-

I

F

A

A

K

K

K

Q

I

I

N

D

S

K

A

A

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

M

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

F

G

G

E

E

A

A

L

L

Q

Q

P

D

S

D

F

F

K

K

I

A

Y

Y

A

A

R

K

Q

R

V

V

E

D

N

N

A

A

K

K

A

R

L

L

A

A

S

S

S

A

I

L

L

Q

E

N

G

E

G

G

F

F

D

T

L

L

A

V

S

S

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

L

L

L

V

V

D

D

L

L

R

R

P

P

K

Q

N

Q

L

L

T

T

G

G

K

K

A

T

A

A

E

E

A

K

A

V

L

L

G

D

R

E

A

V

H

G

I

I

T

T

C

V

N

N

K

K

N

N

G

T

V

I

P

P

F

Y

D

D

T

P

A

E

S

S

P

P

M

F

V

V

T

T

S

S

G

G

I

I

R

R

L

I

G

G

A

T

P

A

A

A

A

V

T

T

S

T

R

R

G

G

F

F

G

G

I

L

A

E

E

E

F

M

K

D

K

E

V

I

G

A

E

A

L

I

I

I

V

G

E

L

L

V

L

L

D

-

G

-

L

-

A

-

K

K

N

N

G

V

D

G

E

S

K

E

N

Q

G

A

A

L

V

E

E

E

A

A

K

R

V

Q

K

R

A

-

D

-

V

V

A

A

G

A

L

L

T

T

active site: Y51 (= Y67), E53 (= E69), D197 (= D213), T223 (= T239), K226 (= K242), R232 (= R248)
binding pyridoxal-5'-phosphate: S93 (= S109), G94 (= G110), A95 (≠ S111), H122 (= H138), S172 (= S188), D197 (= D213), A199 (= A215), H200 (= H216), T223 (= T239), H225 (= H241), K226 (= K242)

4n0wA X-ray crystal structure of a serine hydroxymethyltransferase from burkholderia cenocepacia with covalently attached pyridoxal phosphate
61% identity, 96% coverage: 18:433/433 of query aligns to 8:415/416 of 4n0wA

query
sites
4n0wA

A

S

S

T

L

I

A

A

E

N

A

V

D

D

P

P

E

E

V

I

A

F

A

A

I

I

A

E

Q

Q

E

E

L

N

G

R

R

R

Q

Q

R

E

D

D

E

H

I

I

E

E

L

L

I

I

A

A

S

S

E

E

N

N

I

Y

V

T

S

S

K

P

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S

S

V

Q

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

K

R

R

Y

Y

G

G

C

C

Q

E

F

Y

V

V

D

D

I

V

A

V

E

E

N

Q

L

L

A

A

I

I

E

D

R

R

V

V

K

K

R

Q

L

L

F

F

D

G

C

A

G

E

F

A

A

A

N

N

V

V

Q

Q

P

P

N

N

S
|
S

G
|
G

S
|
S

Q

Q

A

A

N

N

Q

Q

A

G

V

V

F

F

L

F

A

A

L

M

L

L

Q

K

P

P

G

G

D

D

T

T

F

I

L

M

G

G

L

M

D

S

L

L

A

A

A

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

M

S

S

G

G

K

K

W

W

F

F

K

N

P

V

V

V

S

S

Y

Y

G

G

V

L

R

N

Q

E

D

N

D

E

H

D

L

-

I

I

D

D

M

Y

E

D

K

A

L

A

A

E

E

K

L

L

A

A

L

N

E

E

H

H

K

K

P

P

K

K

M

L

I

I

I

V

A

A

G

G

G

A

S

S

A

A

Y

F

P

A

R

L

F

K

W

I

D

D

F

F

A

E

K

R

F

L

R

A

E

K

I

I

A

A

D

K

S

S

V

V

G

G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

Y

A

A

G

G

L

L

V

I

A

A

G

A

G

G

V

V

H

Y

P

P

S

N

P

P

F

V

P

P

H

H

A

A

H

D

V

F

V

V

T

T

S

T

T
|
T

T

T

H

H

K
|
K

T

S

L

L

R

R

G

G

P

P

R
|
R

G

G

L

V

V

I

L

L

T

M

N

K

D

-

Q

A

D

E

I

Y

A

E

K

K

K

P

I

I

N

N

S

S

A

A

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

M

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

F

G

K

E

E

A

A

L

L

Q

S

P

P

S

E

F

F

K

K

I

E

Y

Y

A

Q

R

Q

Q

K

V

V

E

E

N

N

A

A

K

R

A

V

L

L

A

A

S

E

S

T

I

L

L

V

E

K

G

R

G

G

F

L

D

R

L

I

A

V

S

S

K

G

G

R

T

T

D

E

N

S

H

H

L

V

M

M

L

L

V

V

D

D

L

L

R

R

P

A

K

K

N

H

L

I

T

T

G

G

K

K

A

A

E

E

A

A

L

L

G

G

R

A

A

A

H

H

I

I

T

T

C

V

N

N

K

K

N

N

G

A

V

I

P

P

F

N

D

D

T

P

A

E

S

K

P

P

M

F

V

V

T

T

S

S

G

G

I

I

R

R

L

L

G

G

A

S

P

P

A

A

A

M

T

T

S

T

R

R

G

G

F

F

G

G

I

P

A

A

E

E

F

A

K

E

K

Q

V

V

G

G

E

N

L

L

I

I

V

A

E

D

L

V

L

L

D

E

G

-

L

-

A

-

K

-

N

-

G

-

D

N

E

P

K

E

N

D

G

A

A

A

V

T

E

I

A

E

K

R

V

V

K

R

A

A

D

Q

V

V

A

A

G

E

L

L

T

T

Q

K

R

R

F

F

P

P

I

V

Y

Y

active site: Y57 (= Y67), E59 (= E69), D202 (= D213), T228 (= T239), K231 (= K242), R237 (= R248)
binding pyridoxal-5'-phosphate: S99 (= S109), G100 (= G110), S101 (= S111), H128 (= H138), D202 (= D213), A204 (= A215), H205 (= H216), K231 (= K242)

4ot8A X-ray crystal structure of serine hydroxymethyl transferase from burkholderia cenocepacia bound to plp and serine
61% identity, 96% coverage: 18:433/433 of query aligns to 6:413/414 of 4ot8A

query
sites
4ot8A

A

S

S

T

L

I

A

A

E

N

A

V

D

D

P

P

E

E

V

I

A

F

A

A

I

I

A

E

Q

Q

E

E

L

N

G

R

R

R

Q

Q

R

E

D

D

E

H

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

Y

V

T

S

S

K

P

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S

S

V

Q

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

K

R

R

Y

Y

Y
|
Y

G

G

C

C

Q

E

F

Y

V

V

D

D

I

V

A

V

E

E

N

Q

L

L

A

A

I

I

E

D

R

R

V

V

K

K

R

Q

L

L

F

F

D

G

C

A

G

E

F

A

A

A

N

N

V

V

Q

Q

P

P

N

N

S
|
S

G
|
G

S
|
S

Q

Q

A

A

N

N

Q

Q

A

G

V

V

F

F

L

F

A

A

L

M

L

L

Q

K

P

P

G

G

D

D

T

T

F

I

L

M

G

G

L

M

D

S

L

L

A

A

A

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

M

S

S

G

G

K

K

W

W

F

F

K

N

P

V

V

V

S

S

Y

Y

G

G

V

L

R

N

Q

E

D

N

D

E

H

D

L

-

I

I

D

D

M

Y

E

D

K

A

L

A

A

E

E

K

L

L

A

A

L

N

E

E

H

H

K

K

P

P

K

K

M

L

I

I

I

V

A

A

G

G

G

A

S

S

A

A

Y

F

P

A

R

L

F

K

W

I

D

D

F

F

A

E

K

R

F

L

R

A

E

K

I

I

A

A

D

K

S

S

V

V

G

G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

Y

A

A

G

G

L

L

V

I

A

A

G

A

G

G

V

V

H

Y

P

P

S

N

P

P

F

V

P

P

H

H

A

A

H

D

V

F

V

V

T

T

S

T

T
|
T

T

T

H

H

K
|
K

T

S

L

L

R

R

G

G

P

P

R
|
R

G

G

L

V

V

I

L

L

T

M

N

K

D

-

Q

A

D

E

I

Y

A

E

K

K

K

P

I

I

N

N

S

S

A

A

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

M

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

F

G

K

E

E

A

A

L

L

Q

S

P

P

S

E

F

F

K

K

I

E

Y

Y

A

Q

R

Q

Q

K

V

V

E

E

N

N

A

A

K

R

A

V

L

L

A

A

S

E

S

T

I

L

L

V

E

K

G

R

G

G

F

L

D

R

L

I

A

V

S

S

K

G

G

R

T

T

D

E

N

S

H

H

L

V

M

M

L

L

V

V

D

D

L

L

R

R

P

A

K

K

N

H

L

I

T

T

G

G

K

K

A

A

E

E

A

A

L

L

G

G

R

A

A

A

H

H

I

I

T

T

C

V

N

N

K

K

N

N

G

A

V

I

P

P

F

N

D

D

T

P

A

E

S

K

P

P

M

F

V

V

T

T

S

S

G

G

I

I

R
|
R

L

L

G

G

A

S

P

P

A

A

A

M

T

T

S

T

R

R

G

G

F

F

G

G

I

P

A

A

E

E

F

A

K

E

K

Q

V

V

G

G

E

N

L

L

I

I

V

A

E

D

L

V

L

L

D

E

G

-

L

-

A

-

K

-

N

-

G

-

D

N

E

P

K

E

N

D

G

A

A

A

V

T

E

I

A

E

K

R

V

V

K

R

A

A

D

Q

V

V

A

A

G

E

L

L

T

T

Q

K

R

R

F

F

P

P

I

V

Y

Y

active site: Y55 (= Y67), E57 (= E69), D200 (= D213), T226 (= T239), K229 (= K242), R235 (= R248)
binding pyridoxal-5'-phosphate: S97 (= S109), G98 (= G110), S99 (= S111), H126 (= H138), D200 (= D213), A202 (= A215), H203 (= H216), K229 (= K242)
binding serine: S35 (= S47), E57 (= E69), Y65 (= Y77), H126 (= H138), H203 (= H216), R360 (= R374)

4otlA X-ray crystal structure of serine hydroxymethyl transferase from burkholderia cenocepacia bound to plp and glycine
61% identity, 96% coverage: 18:433/433 of query aligns to 1:408/409 of 4otlA

query
sites
4otlA

A

S

S

T

L

I

A

A

E

N

A

V

D

D

P

P

E

E

V

I

A

F

A

A

I

I

A

E

Q

Q

E

E

L

N

G

R

R

R

Q

Q

R

E

D

D

E

H

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

Y

V

T

S

S

K

P

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S

S

V

Q

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

K

R

R

Y

Y

Y
|
Y

G

G

C

C

Q

E

F

Y

V

V

D

D

I

V

A

V

E

E

N

Q

L

L

A

A

I

I

E

D

R

R

V

V

K

K

R

Q

L

L

F

F

D

G

C

A

G

E

F

A

A

A

N

N

V

V

Q

Q

P

P

N

N

S
|
S

G
|
G

S
|
S

Q

Q

A

A

N

N

Q

Q

A

G

V

V

F

F

L

F

A

A

L

M

L

L

Q

K

P

P

G

G

D

D

T

T

F

I

L

M

G

G

L

M

D

S

L

L

A

A

A

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

M

S

S

G

G

K

K

W

W

F

F

K

N

P

V

V

V

S

S

Y

Y

G

G

V

L

R

N

Q

E

D

N

D

E

H

D

L

-

I

I

D

D

M

Y

E

D

K

A

L

A

A

E

E

K

L

L

A

A

L

N

E

E

H

H

K

K

P

P

K

K

M

L

I

I

I

V

A

A

G

G

G

A

S
|
S

A

A

Y

F

P

A

R

L

F

K

W

I

D

D

F

F

A

E

K

R

F

L

R

A

E

K

I

I

A

A

D

K

S

S

V

V

G

G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

Y

A

A

G

G

L

L

V

I

A

A

G

A

G

G

V

V

H

Y

P

P

S

N

P

P

F

V

P

P

H

H

A

A

H

D

V

F

V

V

T

T

S

T

T
|
T

T

T

H

H

K
|
K

T

S

L

L

R

R

G

G

P

P

R
|
R

G

G

L

V

V

I

L

L

T

M

N

K

D

-

Q

A

D

E

I

Y

A

E

K

K

K

P

I

I

N

N

S

S

A

A

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

M

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

F

G

K

E

E

A

A

L

L

Q

S

P

P

S

E

F

F

K

K

I

E

Y

Y

A

Q

R

Q

Q

K

V

V

E

E

N

N

A

A

K

R

A

V

L

L

A

A

S

E

S

T

I

L

L

V

E

K

G

R

G

G

F

L

D

R

L

I

A

V

S

S

K

G

G

R

T

T

D

E

N

S

H

H

L

V

M

M

L

L

V

V

D

D

L

L

R

R

P

A

K

K

N

H

L

I

T

T

G

G

K

K

A

A

E

E

A

A

L

L

G

G

R

A

A

A

H

H

I

I

T

T

C

V

N

N

K

K

N

N

G

A

V

I

P

P

F

N

D

D

T

P

A

E

S

K

P

P

M

F

V

V

T

T

S

S

G

G

I

I

R
|
R

L

L

G

G

A

S

P

P

A

A

A

M

T

T

S

T

R

R

G

G

F

F

G

G

I

P

A

A

E

E

F

A

K

E

K

Q

V

V

G

G

E

N

L

L

I

I

V

A

E

D

L

V

L

L

D

E

G

-

L

-

A

-

K

-

N

-

G

-

D

N

E

P

K

E

N

D

G

A

A

A

V

T

E

I

A

E

K

R

V

V

K

R

A

A

D

Q

V

V

A

A

G

E

L

L

T

T

Q

K

R

R

F

F

P

P

I

V

Y

Y

active site: Y50 (= Y67), E52 (= E69), D195 (= D213), T221 (= T239), K224 (= K242), R230 (= R248)
binding glycine: S30 (= S47), Y50 (= Y67), Y60 (= Y77), H121 (= H138), K224 (= K242), R355 (= R374)
binding pyridoxal-5'-phosphate: S92 (= S109), G93 (= G110), S94 (= S111), H121 (= H138), S170 (= S188), D195 (= D213), A197 (= A215), H198 (= H216), K224 (= K242)

2vmyA Crystal structure of f351gbsshmt in complex with gly and fthf (see paper)
62% identity, 94% coverage: 20:427/433 of query aligns to 4:404/405 of 2vmyA

query
sites
2vmyA

L

L

A

P

E

Q

A

Q

D

D

P

P

E

Q

V

V

A

F

A

A

I

I

A

E

Q

Q

E

E

L

R

G

K

R

R

Q

Q

R

H

D

A

E

K

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

V

S

S

K

R

A

A

V

V

L

M

E

E

A

A

Q

Q

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

R

Y
|
Y

G

G

C

C

Q

E

F

Y

V

V

D

D

I

I

A

V

E

E

N

E

L

L

A

A

I

R

E

E

R

R

V

A

K

K

R

Q

L

L

F

F

D

G

C

A

G

E

F

H

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
x
A

Q

Q

A

A

N

N

Q

M

A

A

V

V

F

Y

L

F

A

T

L

V

L

L

Q

E

P

H

G

G

D

D

T

T

F

V

L

L

G

G

L

M

D

N

L
|
L

A

S

A

H

G

G

G
|
G

H
|
H

L
|
L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

F

S

S

G

G

K

V

W

Q

F

Y

K

N

P

F

V

V

S

A

Y

Y

G

G

V

V

R

D

Q

P

D

E

D

T

H

H

L

V

I

I

D

D

M

Y

E

D

K

D

L

V

A

R

E

E

L

K

A

A

L

R

E

L

H

H

K

R

P

P

K

K

M

L

I

I

I

V

A

A

G

A

S
|
S

A

A

Y

Y

P

P

R

R

F

I

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

V

P

P

H

Y

A

A

H

H

V

F

V

V

T

T

S

T

T
|
T

T

T

H

H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

M

V

I

L

L

T

C

N

Q

D

E

Q

Q

D

-

I

F

A

A

K

K

K

Q

I

I

N

D

S
x
K

A

A

V

I

F
|
F

P

P

G

G

L

I

Q

Q

G

G

G
|
G

P

P

L

L

M

M

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

F

G

G

E

E

A

A

L

L

Q

Q

P

D

S

D

F

F

K

K

I

A

Y

Y

A

A

R

K

Q

R

V

V

E

D

N

N

A

A

K

K

A

R

L

L

A

A

S

S

S

A

I

L

L

Q

E

N

G

E

G

G

F

F

D

T

L

L

A

V

S

S

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

L

L

L

V

V

D

D

L

L

R

R

P

P

K

Q

N

Q

L

L

T

T

G

G

K

K

A

T

A

A

E

E

A

K

A

V

L

L

G

D

R

E

A

V

H

G

I

I

T

T

C

V

N

N

K

K

N
|
N

G

T

V

I

P

P

F

Y

D

D

T

P

A

E

S
|
S

P
|
P

M
x
G

V

V

T

T

S

S

G

G

I

I

R
|
R

L

I

G

G

A

T

P

A

A

A

A

V

T

T

S

T

R

R

G

G

F

F

G

G

I

L

A

E

E

E

F

M

K

D

K

E

V

I

G

A

E

A

L

I

I

I

V

G

E

L

L

V

L

L

D

-

G

-

L

-

A

-

K

K

N

N

G

V

D

G

E

S

K

E

N

Q

G

A

A

L

V

E

E

E

A

A

K

R

V

Q

K

R

A

-

D

-

V

V

A

A

G

A

L

L

T

T

active site: Y51 (= Y67), E53 (= E69), D197 (= D213), T223 (= T239), K226 (= K242), R232 (= R248)
binding N-[4-({[(6S)-2-amino-5-formyl-4-oxo-3,4,5,6,7,8-hexahydropteridin-6-yl]methyl}amino)benzoyl]-L-glutamic acid: E53 (= E69), Y60 (= Y76), Y61 (= Y77), L117 (= L133), G121 (= G137), H122 (= H138), L123 (= L139), S172 (= S188), K248 (≠ S265), F251 (= F268), N341 (= N358), S349 (= S366), P350 (= P367), G351 (≠ M368), R357 (= R374)
binding glycine: S31 (= S47), Y51 (= Y67), Y61 (= Y77), H200 (= H216), K226 (= K242), R357 (= R374)
binding pyridoxal-5'-phosphate: Y51 (= Y67), S93 (= S109), G94 (= G110), A95 (≠ S111), H122 (= H138), S172 (= S188), D197 (= D213), A199 (= A215), H200 (= H216), T223 (= T239), K226 (= K242), G257 (= G274)

2vmxA Crystal structure of f351gbsshmt in complex with l-allo-thr (see paper)
62% identity, 94% coverage: 20:427/433 of query aligns to 4:404/405 of 2vmxA

query
sites
2vmxA

L

L

A

P

E

Q

A

Q

D

D

P

P

E

Q

V

V

A

F

A

A

I

I

A

E

Q

Q

E

E

L

R

G

K

R

R

Q

Q

R

H

D

A

E

K

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

V

S

S

K

R

A

A

V

V

L

M

E

E

A

A

Q

Q

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

R

Y

Y

G

G

C

C

Q

E

F

Y

V

V

D

D

I

I

A

V

E

E

N

E

L

L

A

A

I

R

E

E

R

R

V

A

K

K

R

Q

L

L

F

F

D

G

C

A

G

E

F

H

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
x
A

Q

Q

A

A

N

N

Q

M

A

A

V

V

F

Y

L

F

A

T

L

V

L

L

Q

E

P

H

G

G

D

D

T

T

F

V

L

L

G

G

L

M

D

N

L

L

A

S

A

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

F

S

S

G

G

K

V

W

Q

F

Y

K

N

P

F

V

V

S

A

Y

Y

G

G

V

V

R

D

Q

P

D

E

D

T

H

H

L

V

I

I

D

D

M

Y

E

D

K

D

L

V

A

R

E

E

L

K

A

A

L

R

E

L

H

H

K

R

P

P

K

K

M

L

I

I

I

V

A

A

G

A

S
|
S

A

A

Y

Y

P

P

R

R

F

I

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

V

P

P

H

Y

A

A

H

H

V

F

V

V

T

T

S

T

T
|
T

T

T

H

H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

M

V

I

L

L

T

C

N

Q

D

E

Q

Q

D

-

I

F

A

A

K

K

K

Q

I

I

N

D

S

K

A

A

V

I

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

M

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

F

G

G

E

E

A

A

L

L

Q

Q

P

D

S

D

F

F

K

K

I

A

Y

Y

A

A

R

K

Q

R

V

V

E

D

N

N

A

A

K

K

A

R

L

L

A

A

S

S

S

A

I

L

L

Q

E

N

G

E

G

G

F

F

D

T

L

L

A

V

S

S

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

L

L

L

V

V

D

D

L

L

R

R

P

P

K

Q

N

Q

L

L

T

T

G

G

K

K

A

T

A

A

E

E

A

K

A

V

L

L

G

D

R

E

A

V

H

G

I

I

T

T

C

V

N

N

K

K

N

N

G

T

V

I

P

P

F

Y

D

D

T

P

A

E

S

S

P

P

M

G

V

V

T

T

S

S

G

G

I

I

R
|
R

L

I

G

G

A

T

P

A

A

A

A

V

T

T

S

T

R

R

G

G

F

F

G

G

I

L

A

E

E

E

F

M

K

D

K

E

V

I

G

A

E

A

L

I

I

I

V

G

E

L

L

V

L

L

D

-

G

-

L

-

A

-

K

K

N

N

G

V

D

G

E

S

K

E

N

Q

G

A

A

L

V

E

E

E

A

A

K

R

V

Q

K

R

A

-

D

-

V

V

A

A

G

A

L

L

T

T

active site: Y51 (= Y67), E53 (= E69), D197 (= D213), T223 (= T239), K226 (= K242), R232 (= R248)
binding allo-threonine: S31 (= S47), H122 (= H138), H200 (= H216), R357 (= R374)
binding pyridoxal-5'-phosphate: S93 (= S109), G94 (= G110), A95 (≠ S111), H122 (= H138), S172 (= S188), D197 (= D213), A199 (= A215), H200 (= H216), T223 (= T239), K226 (= K242)

6ymfA Crystal structure of serine hydroxymethyltransferase from aphanothece halophytica in the plp-serine external aldimine state (see paper)
58% identity, 96% coverage: 20:433/433 of query aligns to 7:414/418 of 6ymfA

query
sites
6ymfA

L

L

A

L

E

Q

A

T

D

D

P

P

E

T

V

I

A

S

A

G

A

M

I

M

A

Q

Q

K

E

E

L

L

G

Q

R

R

Q

Q

R

R

D

E

E

H

I

L

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

T

S

S

K

P

A

A

V

V

L

M

E

A

A

T

Q

Q

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

L

P

P

G

K

R

K

R

R

Y

Y

G

G

C

C

Q

E

F

F

V

I

D

D

I

E

A

I

E

E

N

Q

L

V

A

A

I

I

E

D

R

R

V

A

K

K

R

E

L

L

F

F

D

G

C

A

G

A

F

S

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
x
A

Q

Q

A

A

N

N

Q

F

A

A

V

V

F

F

L

L

A

T

L

L

Q

K

P

P

G

G

D

D

T

K

F

I

L

M

G

G

L

M

D

D

L

L

A

S

A

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

A

N

N

M

V

S

S

G

G

K

K

W

W

F

F

K

E

P

A

V

V

S

H

Y

Y

G

G

V

V

R

S

Q

Q

D

E

D

T

H

E

L

Q

I

L

D

D

M

Y

E

D

K

H

L

I

A

L

E

E

L

V

A

A

L

R

E

Q

H

E

K

R

P

P

K

K

M

L

I

I

A

C

G

G

G

Y

S
|
S

A

A

Y

Y

P

P

R

R

F

I

W

I

D

N

F

F

A

E

K

K

F

F

R

R

E

A

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

L

V

A

D
|
D

M

I

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

N

P

P

F

V

P

P

H

H

A

C

H

D

V

V

T

T

S

T

T
|
T

T

T

H

H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

L

V

I

L

L

T

T

N

R

D

D

Q

P

D

E

I

L

A

G

K

K

I

F

N

N

S

K

A

S

V

V

F

F

P

P

G

G

L

T

Q

Q

G

G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

G

K

K

A

A

V

V

A

A

F

F

G

G

E

E

A

A

L

L

Q

K

P

P

S

E

F

F

K

K

I

A

Y

Y

A

S

R

G

Q

Q

V

V

V

I

E

A

N

N

A

A

K

Q

A

A

L

M

A

A

S

Q

I

L

L

Q

E

N

G

R

G

G

F

F

D

K

L

I

A

V

S

S

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

M

L

L

V

V

D

D

L

L

R

R

P

S

K

V

N

N

L

L

T

T

G

G

K

K

A

Q

A

A

E

D

A

Q

A

L

L

V

G

S

R

D

A

V

H

N

I

I

T

T

C

A

N

N

K

K

N

N

G

T

V

V

P

P

F

F

D

D

T

P

A

E

S

S

P

P

M

F

V

V

T

T

S

S

G

G

I

L

R
|
R

L

L

G

G

A

S

P

P

A

A

A

M

T

T

S

T

R

R

G

G

F

L

G

G

I

T

A

E

E

D

F

F

K

A

K

E

V

I

G

A

E

N

L

I

I

I

V

A

E

-

L

-

D

D

G

R

L

L

A

Q

K

N

N

P

G

E

D

D

E

E

K

Q

N

-

G

-

A

-

V

V

E

K

A

Q

K

A

V

C

K

V

A

Q

D

R

V

V

A

A

G

A

L

L

T

C

Q

E

R

R

F

F

P

P

I

L

Y

Y

active site: Y54 (= Y67), E56 (= E69), D200 (= D213), T226 (= T239), K229 (= K242), R235 (= R248)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine: S34 (= S47), S96 (= S109), G97 (= G110), A98 (≠ S111), H125 (= H138), S175 (= S188), D200 (= D213), A202 (= A215), H203 (= H216), T226 (= T239), K229 (= K242), R361 (= R374)

6ymdA Crystal structure of serine hydroxymethyltransferase from aphanothece halophytica in the covalent complex with malonate (see paper)
58% identity, 96% coverage: 20:433/433 of query aligns to 7:414/420 of 6ymdA

query
sites
6ymdA

L

L

A

L

E

Q

A

T

D

D

P

P

E

T

V

I

A

S

A

G

A

M

I

M

A

Q

Q

K

E

E

L

L

G

Q

R

R

Q

Q

R

R

D

E

E

H

I

L

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

T

S

S

K

P

A

A

V

V

L

M

E

A

A

T

Q

Q

G

G

S

S

V

V

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

L

P

P

G

K

R

K

R

R

Y

Y

Y
|
Y

G

G

C

C

Q

E

F

F

V

I

D

D

I

E

A

I

E

E

N

Q

L

V

A

A

I

I

E

D

R

R

V

A

K

K

R

E

L

L

F

F

D

G

C

A

G

A

F

S

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
x
A

Q

Q

A

A

N

N

Q

F

A

A

V

V

F

F

L

L

A

T

L

L

Q

K

P

P

G

G

D

D

T

K

F

I

L

M

G

G

L

M

D

D

L

L

A

S

A

H

G

G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

A

N

N

M

V

S

S

G

G

K

K

W

W

F

F

K

E

P

A

V

V

S

H

Y

Y

G

G

V

V

R

S

Q

Q

D

E

D

T

H

E

L

Q

I

L

D

D

M

Y

E

D

K

H

L

I

A

L

E

E

L

V

A

A

L

R

E

Q

H

E

K

R

P

P

K

K

M

L

I

I

A

C

G

G

G
x
Y

S
|
S

A

A

Y

Y

P

P

R

R

F

I

W

I

D

N

F

F

A

E

K

K

F

F

R

R

E

A

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

Y

F

L

M

L

V

A

D
|
D

M

I

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

N

P

P

F

V

P

P

H

H

A

C

H

D

V

V

T

T

S

T

T
|
T

T

T

H

H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

L

V

I

L

L

T

T

N

R

D

D

Q

P

D

E

I

L

A

G

K

K

I

F

N

N

S

K

A

S

V

V

F

F

P

P

G

G

L

T

Q

Q

G

G

G
|
G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

G

K

K

A

A

V

V

A

A

F

F

G

G

E

E

A

A

L

L

Q

K

P

P

S

E

F

F

K

K

I

A

Y

Y

A

S

R

G

Q

Q

V

V

V

I

E

A

N

N

A

A

K

Q

A

A

L

M

A

A

S

Q

I

L

L

Q

E

N

G

R

G

G

F

F

D

K

L

I

A

V

S

S

K

G

G

G

T

T

D

D

N

N

H

H

L

L

M

M

L

L

V

V

D

D

L

L

R

R

P

S

K

V

N

N

L

L

T

T

G

G

K

K

A

Q

A

A

E

D

A

Q

A

L

L

V

G

S

R

D

A

V

H

N

I

I

T

T

C

A

N

N

K

K

N

N

G

T

V

V

P

P

F

F

D

D

T

P

A

E

S

S

P

P

M

F

V

V

T

T

S

S

G

G

I

L

R
|
R

L

L

G

G

A

S

P

P

A

A

A

M

T

T

S

T

R

R

G

G

F

L

G

G

I

T

A

E

E

D

F

F

K

A

K

E

V

I

G

A

E

N

L

I

I

I

V

A

E

-

L

-

D

D

G

R

L

L

A

Q

K

N

N

P

G

E

D

D

E

E

K

Q

N

-

G

-

A

-

V

V

E

K

A

Q

K

A

V

C

K

V

A

Q

D

R

V

V

A

A

G

A

L

L

T

C

Q

E

R

R

F

F

P

P

I

L

Y

Y

active site: Y54 (= Y67), E56 (= E69), D200 (= D213), T226 (= T239), K229 (= K242), R235 (= R248)
binding malonate ion: S34 (= S47), Y54 (= Y67), E56 (= E69), Y64 (= Y77), H125 (= H138), H203 (= H216), K229 (= K242), R361 (= R374)
binding 4'-deoxy-4'-aminopyridoxal-5'-phosphate: Y54 (= Y67), S96 (= S109), G97 (= G110), A98 (≠ S111), H125 (= H138), Y174 (≠ G187), S175 (= S188), D200 (= D213), A202 (= A215), T226 (= T239), K229 (= K242), G261 (= G274)

7x5oB Crystal structure of e. Faecium shmt in complex with me-thf and plp- gly (see paper)
60% identity, 95% coverage: 24:433/433 of query aligns to 7:411/412 of 7x5oB

query
sites
7x5oB

D

D

P

P

E

D

V

L

A

W

A

A

I

I

A

A

Q

K

E

E

L

E

G

E

R

R

Q

Q

R

E

D

H

E

N

I

L

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

V

S

S

K

E

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S

S

V

I

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

H

R

R

Y
|
Y

G

G

C

C

Q

E

F

F

V

V

D

D

I

I

A

V

E

E

N

N

L

L

A

A

I

I

E

D

R

R

V

A

K

K

R

E

L

L

F

F

D

G

C

A

G

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

A

A

N

N

Q

T

A

A

V

A

F

Y

L

L

A

A

L

L

L

V

Q

E

P

P

G

G

D

D

T

T

F

I

L

L

G

G

L

M

D

D

L
|
L

A

S

A

A

G
|
G

H
|
H

L

L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

F

S

S

G

G

K

K

W

T

F

Y

K

H

P

F

V

V

S

A

Y

Y

G

G

V

V

R

D

Q

P

D

T

H

E

L

V

I

I

D

D

M

Y

E

N

K

V

L

V

A

R

E

I

L

L

A

A

L

R

E

K

H

H

K

Q

P

P

K

K

M

L

I

I

I

V

A

A

G

G

G

A

S
|
S

A

A

Y

Y

P

G

R

R

F

T

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

K

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

V

P

P

H

Y

A

A

H

D

V

I

V

T

T

T

S

T

T

T

H

H

K
|
K

T

T

L

L

R

R

G

G

P

P

R

R

G

G

L

M

V

I

L

L

T

T

N

N

D

D

Q

E

D

A

I

L

A

A

K

K

I

I

N

N

S

S

A

A

V

V

F

F

P
|
P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

G

K

K

A

A

V

V

A

A

F

F

G

K

E

E

A

A

L

L

Q

D

P

P

S

A

F

F

K

K

I

E

Y

Y

A

S

R

E

Q

Q

V

I

E

A

N

N

A

A

K

K

A

A

L

M

A

V

S

K

S

V

I

F

L

N

E

Q

G

A

-

I

G

G

F

T

D

R

L

V

A

I

S

S

K

G

G

A

T

T

D

D

N

N

H

H

L

L

M

M

L

L

V

I

D

D

L

V

R

R

P

E

K

L

N

G

L

I

T

N

G

G

K

K

A

E

A

A

E

E

A

S

A

I

L

L

G

D

R

S

A

V

H

N

I

I

T

T

C

V

N

N

K

K

N
|
N

G

S

V

I

P

P

F

F

D

E

T

T

A

L

S

S

P
|
P

M

F

V

K

T

T

S

S

G

G

I

I

R
|
R

L

I

G

G

A

T

P

P

A

A

A

I

T

T

S

T

R

R

G

G

F

F

G

K

I

E

A

E

E

D

F

A

K

V

K

K

V

V

G

A

E

E

L

L

I

V

V

V

E

K

L

A

L

L

D

Q

G

A

L

-

A

-

K

-

N

-

G

-

D

-

E

K

K

D

N

D

G

N

A

A

V

Q

E

L

A

D

K

E

V

V

K

K

A

T

D

G

V

V

A

R

G

E

L

L

T

T

Q

E

R

K

F

F

P

P

I

L

Y

H

binding n-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]: S30 (= S47), Y50 (= Y67), Y60 (= Y77), S92 (= S109), G93 (= G110), S94 (= S111), H121 (= H138), S171 (= S188), D196 (= D213), A198 (= A215), H199 (= H216), K225 (= K242), R358 (= R374)
binding n-[4-({[(6s)-2-amino-4-hydroxy-5-methyl-5,6,7,8-tetrahydropteridin-6-yl]methyl}amino)benzoyl]-l-glutamic acid: E52 (= E69), Y59 (= Y76), L116 (= L133), G119 (= G136), G120 (= G137), H121 (= H138), S171 (= S188), P252 (= P269), N342 (= N358), P351 (= P367)

7x5nA Crystal structure of e. Faecium shmt in complex with (+)-shin-1 and plp-ser (see paper)
60% identity, 94% coverage: 24:432/433 of query aligns to 6:409/409 of 7x5nA

query
sites
7x5nA

D

D

P

P

E

D

V

L

A

W

A

A

I

I

A

A

Q

K

E

E

L

E

G

E

R

R

Q

Q

R

E

D

H

E

N

I

L

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

F

V

V

S

S

K

E

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S

S

V

I

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

H

R

R

Y
|
Y

G

G

C

C

Q

E

F

F

V

V

D

D

I

I

A

V

E

E

N

N

L

L

A

A

I

I

E

D

R

R

V

A

K

K

R

E

L

L

F

F

D

G

C

A

G

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

A

A

N

N

Q

T

A

A

V

A

F

Y

L

L

A

A

L

L

L

V

Q

E

P

P

G

G

D

D

T

T

F

I

L

L

G

G

L

M

D

D

L
|
L

A

S

A

A

G

G

G
|
G

H
|
H

L
|
L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

F

S

S

G

G

K

K

W

T

F

Y

K

H

P

F

V

V

S

A

Y

Y

G

G

V

V

R

D

Q

P

D

T

H

E

L

V

I

I

D

D

M

Y

E

N

K

V

L

V

A

R

E

I

L

L

A

A

L

R

E

K

H

H

K

Q

P

P

K

K

M

L

I

I

I

V

A

A

G

G

G

A

S
|
S

A

A

Y

Y

P

G

R

R

F

T

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

K

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

V

P

P

H

Y

A

A

H

D

V

I

V

T

T

T

S

T

T

T

H

H

K
|
K

T

T

L

L

R

R

G

G

P

P

R

R

G

G

L

M

V

I

L

L

T

T

N

N

D

D

Q

E

D

A

I

L

A

A

K

K

I

I

N

N

S

S

A

A

V

V

F

F

P

P

G

G

L

I

Q

Q

G

G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

G

K

K

A

A

V

V

A

A

F

F

G

K

E

E

A

A

L

L

Q

D

P

P

S

A

F

F

K

K

I

E

Y

Y

A

S

R

E

Q

Q

V

I

E

A

N

N

A

A

K

K

A

A

L

M

A

V

S

K

S

V

I

F

L

N

E

Q

G

A

-

I

G

G

F

T

D

R

L

V

A

I

S

S

K

G

G

A

T

T

D

D

N

N

H

H

L

L

M

M

L

L

V

I

D

D

L

V

R

R

P

E

K

L

N

G

L

I

T

N

G

G

K

K

A

E

A

A

E

E

A

S

A

I

L

L

G

D

R

S

A

V

H

N

I

I

T

T

C

V

N

N

K
|
K

N
|
N

G
x
S

V

I

P

P

F

F

D

E

T

T

A

L

S

S

P
|
P

M
x
F

V

K

T

T

S

S

G

G

I

I

R
|
R

L

I

G

G

A

T

P

P

A

A

A

I

T

T

S

T

R

R

G

G

F

F

G

K

I

E

A

E

E

D

F

A

K

V

K

K

V

V

G

A

E

E

L

L

I

V

V

V

E

K

L

A

L

L

D

Q

G

A

L

-

A

-

K

-

N

-

G

-

D

-

E

K

K

D

N

D

G

N

A

A

V

Q

E

L

A

D

K

E

V

V

K

K

A

T

D

G

V

V

A

R

G

E

L

L

T

T

Q

E

R

K

F

F

P

P

I

L

binding (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile: E51 (= E69), Y58 (= Y76), Y59 (= Y77), L115 (= L133), G119 (= G137), H120 (= H138), L121 (= L139), K340 (= K357), N341 (= N358), S342 (≠ G359), P350 (= P367), F351 (≠ M368), R357 (= R374)
binding [3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-ylmethyl]-serine: S29 (= S47), Y49 (= Y67), E51 (= E69), Y59 (= Y77), S91 (= S109), G92 (= G110), S93 (= S111), H120 (= H138), S170 (= S188), D195 (= D213), A197 (= A215), H198 (= H216), K224 (= K242), R357 (= R374)

7v3dA Complex structure of serine hydroxymethyltransferase from enterococcus faecium and its inhibitor (see paper)
60% identity, 94% coverage: 24:432/433 of query aligns to 6:409/409 of 7v3dA

query
sites
7v3dA

D

D

P

P

E

D

V

L

A

W

A

A

I

I

A

A

Q

K

E

E

L

E

G

E

R

R

Q

Q

R

E

D

H

E

N

I

L

E

E

L

L

I

I

A

A

S

S

E

E

N

N

I

F

V

V

S

S

K

E

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S

S

V

I

L

L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

H

R

R

Y
|
Y

Y

Y

G

G

C

C

Q

E

F

F

V

V

D

D

I

I

A

V

E

E

N

N

L

L

A

A

I

I

E

D

R

R

V

A

K

K

R

E

L

L

F

F

D

G

C

A

G

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

A

A

N

N

Q

T

A

A

V

A

F

Y

L

L

A

A

L

L

L

V

Q

E

P

P

G

G

D

D

T

T

F

I

L

L

G

G

L

M

D

D

L
|
L

A

S

A

A

G

G

G
|
G

H
|
H

L
|
L

T

T

H

H

G

G

S

S

P

P

V

V

N

N

M

F

S

S

G

G

K

K

W

T

F

Y

K

H

P

F

V

V

S

A

Y

Y

G

G

V

V

R

D

Q

P

D

T

H

E

L

V

I

I

D

D

M

Y

E

N

K

V

L

V

A

R

E

I

L

L

A

A

L

R

E

K

H

H

K

Q

P

P

K

K

M

L

I

I

I

V

A

A

G

G

G

A

S
|
S

A

A

Y

Y

P

G

R

R

F

T

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

E

V

V

G

G

A

A

I

K

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H

H

F

I

A

A

G

G

L

L

V

V

A

A

G

A

G

G

V

L

H

H

P

P

S

N

P

P

F

V

P

P

H

Y

A

A

H

D

V

I

V

T

T

T

S

T

T

T

H

H

K
|
K

T

T

L

L

R

R

G

G

P

P

R

R

G

G

L

M

V

I

L

L

T

T

N

N

D

D

Q

E

D

A

I

L

A

A

K

K

I

I

N

N

S

S

A

A

V

V

F

F

P

P

G

G

L

I

Q

Q

G
|
G

G

G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

G

K

K

A

A

V

V

A

A

F

F

G

K

E

E

A

A

L

L

Q

D

P

P

S

A

F

F

K

K

I

E

Y

Y

A

S

R

E

Q

Q

V

I

E

A

N

N

A

A

K

K

A

A

L

M

A

V

S

K

S

V

I

F

L

N

E

Q

G

A

-

I

G

G

F

T

D

R

L

V

A

I

S

S

K

G

G

A

T

T

D

D

N

N

H

H

L

L

M

M

L

L

V

I

D

D

L

V

R

R

P

E

K

L

N

G

L

I

T

N

G

G

K

K

A

E

A

A

E

E

A

S

A

I

L

L

G

D

R

S

A

V

H

N

I

I

T

T

C

V

N

N

K
|
K

N

N

G
x
S

V

I

P

P

F

F

D

E

T

T

A

L

S

S

P
|
P

M
x
F

V

K

T

T

S

S

G

G

I

I

R
|
R

L

I

G

G

A

T

P

P

A

A

A

I

T

T

S

T

R

R

G

G

F

F

G

K

I

E

A

E

E

D

F

A

K

V

K

K

V

V

G

A

E

E

L

L

I

V

V

V

E

K

L

A

L

L

D

Q

G

A

L

-

A

-

K

-

N

-

G

-

D

-

E

K

K

D

N

D

G

N

A

A

V

Q

E

L

A

D

K

E

V

V

K

K

A

T

D

G

V

V

A

R

G

E

L

L

T

T

Q

E

R

K

F

F

P

P

I

L

binding (4R)-6-azanyl-4-[3-(hydroxymethyl)-5-phenyl-phenyl]-3-methyl-4-propan-2-yl-1H-pyrano[2,3-c]pyrazole-5-carbonitrile: E51 (= E69), Y58 (= Y76), L115 (= L133), G119 (= G137), H120 (= H138), L121 (= L139), K340 (= K357), S342 (≠ G359), P350 (= P367), F351 (≠ M368), R357 (= R374)
binding pyridoxal-5'-phosphate: Y49 (= Y67), S91 (= S109), G92 (= G110), S93 (= S111), H120 (= H138), S170 (= S188), D195 (= D213), A197 (= A215), K224 (= K242), G255 (= G273)

4wxgA Crystal structure of l-serine hydroxymethyltransferase in complex with a mixture of l-threonine and glycine (see paper)
59% identity, 95% coverage: 24:433/433 of query aligns to 6:410/410 of 4wxgA

query
sites
4wxgA

D

D

P

P

E

E

V

L

A

W

A

N

A

A

I

I

A

D

Q

A

E

E

L

A

G

E

R

R

Q

Q

R

Q

D

N

E

N

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

V

V

V

S

S

K

K

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S
x
T

V

L

L
|
L

T

T

N

N

K

K

Y
|
Y

A

A

E
|
E

G

G

Y

Y

P

P

G

G

R

K

R

R

Y

Y

Y
|
Y

G

G

C

T

Q

A

F

V

V

I

D

D

I

V

A

V

E

E

N

T

L

L

A

A

I

I

E

E

R

R

V

A

K

K

R

K

L

L

F

F

D

G

C

A

G

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

A

A

N

N

Q

A

A

A

V

V

F

Y

L

M

A

S

L

L

L

I

Q

Q

P

P

G

G

D

D

T

T

F

V

L

M

G

G

L

M

D

D

L

L

A

S

A

A

G

G

H
|
H

L

L

T

T

H

H

G

G

S

A

P

P

V

V

N

S

M

F

S

S

G

G

K

K

W

T

F

Y

K

N

P

F

V

V

S

S

Y

Y

G

N

V

V

R

D

Q

K

D

E

D

S

H

E

L

L

I

L

D

D

M

Y

E

D

K

A

L

I

A

L

E

A

L

Q

A

A

L

K

E

E

H

V

K

R

P

P

K

K

M

L

I

I

I

V

A

A

G

G

G

A

S
|
S

A

A

Y

Y

P

S

R

R

F

I

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

A

V

V

G
|
G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

S

P

P

F

V

P

P

H

Y

A
|
A

H

H

V

V

V
x
T

T

T

S

T

T
|
T

T

T

H

H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

L

V

I

L

L

T

T

N

D

D

D

Q

E

D

D

I

I

A

A

K

K

I

L

N

N

S

S

A

A

V

V

F

F

P

P

G

G

L

L

Q

Q

G
|
G

G

G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

L

G

K

E

E

A

A

L

L

Q

D

P

P

S

A

F

F

K

K

I

E

Y

Y

A

G

R

E

Q

N

V

V

V

I

E

K

N

N

A

A

K

A

A

A

L

M

A

A

S

D

S

V

I

F

L

N

E

Q

G

H

-

P

G

D

F

F

D

R

L

V

A

I

S

S

K

G

G

G

T

T

D

N

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

V

R

T

P

K

K

V

N

V

L

E

T

N

G

G

K

K

A

V

A

A

E

Q

A

N

A

V

L

L

G

E

R

E

A

V

H

N

I

I

T

T

C

L

N

N

K

K

N

N

G

S

V

I

P

P

F

Y

D

E

T

Q

A

L

S

S

P

P

M

F

V

K

T

T

S

S

G

G

I

I

R
|
R

L

V

G

G

A

S

P

P

A

A

A

I

T

T

S

S

R

R

G

G

F

M

G

G

I

E

A

A

E

E

F

S

K

R

K

Q

V

I

G

A

E

E

L

W

I

M

V

V

E

E

L

A

L

L

D

E

G

-

L

-

A

-

K

-

N

N

G

H

D

D

E

K

K

P

N

E

G

-

A

-

V

V

E

L

A

E

K

R

V

I

K

R

A

G

D

D

V

V

A

K

G

V

L

L

T

T

Q

D

R

A

F

F

P

P

I

L

Y

Y

active site: T43 (≠ S61), L45 (= L63), G189 (= G207), A215 (= A233), T218 (≠ V236), R230 (= R248)
binding N-({3-hydroxy-2-methyl-5-[(phosphonooxy)methyl]pyridin-4-yl}methyl)-L-threonine: S29 (= S47), Y49 (= Y67), E51 (= E69), Y59 (= Y77), S91 (= S109), G92 (= G110), S93 (= S111), H120 (= H138), S170 (= S188), D195 (= D213), A197 (= A215), H198 (= H216), T221 (= T239), K224 (= K242), G255 (= G273), R357 (= R374)

4wxfA Crystal structure of l-serine hydroxymethyltransferase in complex with glycine (see paper)
59% identity, 95% coverage: 24:433/433 of query aligns to 6:410/410 of 4wxfA

query
sites
4wxfA

D

D

P

P

E

E

V

L

A

W

A

N

A

A

I

I

A

D

Q

A

E

E

L

A

G

E

R

R

Q

Q

R

Q

D

N

E

N

I

I

E

E

L

L

I

I

A

A

S
|
S

E

E

N

N

I

V

V

V

S

S

K

K

A

A

V

V

L

M

E

A

A

A

Q

Q

G

G

S
x
T

V

L

L
|
L

T

T

N

N

K

K

Y
|
Y

A

A

E

E

G

G

Y

Y

P

P

G

G

R

K

R

R

Y

Y

Y
|
Y

G

G

C

T

Q

A

F

V

V

I

D

D

I

V

A

V

E

E

N

T

L

L

A

A

I

I

E

E

R

R

V

A

K

K

R

K

L

L

F

F

D

G

C

A

G

K

F

F

A

A

N

N

V

V

Q

Q

P

P

N

H

S
|
S

G
|
G

S
|
S

Q

Q

A

A

N

N

Q

A

A

A

V

V

F

Y

L

M

A

S

L

L

L

I

Q

Q

P

P

G

G

D

D

T

T

F

V

L

M

G

G

L

M

D

D

L

L

A

S

A

A

G

G

H
|
H

L

L

T

T

H

H

G

G

S

A

P

P

V

V

N

S

M

F

S

S

G

G

K

K

W

T

F

Y

K

N

P

F

V

V

S

S

Y

Y

G

N

V

V

R

D

Q

K

D

E

D

S

H

E

L

L

I

L

D

D

M

Y

E

D

K

A

L

I

A

L

E

A

L

Q

A

A

L

K

E

E

H

V

K

R

P

P

K

K

M

L

I

I

I

V

A

A

G

G

G

A

S
|
S

A

A

Y

Y

P

S

R

R

F

I

W

I

D

D

F

F

A

A

K

K

F

F

R

R

E

E

I

I

A

A

D

D

S

A

V

V

G
|
G

A

A

I

Y

F

L

M

M

V

V

D
|
D

M

M

A
|
A

H
|
H

F

I

A

A

G

G

L

L

V

V

A

A

G

S

G

G

V

H

H

H

P

P

S

S

P

P

F

V

P

P

H

Y

A
|
A

H

H

V

V

V
x
T

T

T

S

T

T

T

H
|
H

K
|
K

T

T

L

L

R

R

G

G

P

P

R
|
R

G

G

L

L

V

I

L

L

T

T

N

D

D

D

Q

E

D

D

I

I

A

A

K

K

I

L

N

N

S

S

A

A

V

V

F

F

P

P

G

G

L

L

Q

Q

G
|
G

G

G

P

P

L

L

M

E

H

H

V

V

I

I

A

A

G

A

K

K

A

A

V

V

A

A

F

L

G

K

E

E

A

A

L

L

Q

D

P

P

S

A

F

F

K

K

I

E

Y

Y

A

G

R

E

Q

N

V

V

V

I

E

K

N

N

A

A

K

A

A

A

L

M

A

A

S

D

S

V

I

F

L

N

E

Q

G

H

-

P

G

D

F

F

D

R

L

V

A

I

S

S

K

G

G

G

T

T

D

N

N

N

H

H

L

L

M

F

L

L

V

V

D

D

L

V

R

T

P

K

K

V

N

V

L

E

T

N

G

G

K

K

A

V

A

A

E

Q

A

N

A

V

L

L

G

E

R

E

A

V

H

N

I

I

T

T

C

L

N

N

K

K

N

N

G

S

V

I

P

P

F

Y

D

E

T

Q

A

L

S

S

P

P

M

F

V

K

T

T

S

S

G

G

I

I

R
|
R

L

V

G

G

A

S

P

P

A

A

A

I

T

T

S

S

R

R

G

G

F

M

G

G

I

E

A

A

E

E

F

S

K

R

K

Q

V

I

G

A

E

E

L

W

I

M

V

V

E

E

L

A

L

L

D

E

G

-

L

-

A

-

K

-

N

N

G

H

D

D

E

K

K

P

N

E

G

-

A

-

V

V

E

L

A

E

K

R

V

I

K

R

A

G

D

D

V

V

A

K

G

V

L

L

T

T

Q

D

R

A

F

F

P

P

I

L

Y

Y

active site: T43 (≠ S61), L45 (= L63), G189 (= G207), A215 (= A233), T218 (≠ V236), R230 (= R248)
binding n-glycine-[3-hydroxy-2-methyl-5-phosphonooxymethyl-pyridin-4-yl-methane]: S29 (= S47), Y49 (= Y67), Y59 (= Y77), S91 (= S109), G92 (= G110), S93 (= S111), H120 (= H138), S170 (= S188), D195 (= D213), A197 (= A215), H198 (= H216), H223 (= H241), K224 (= K242), G255 (= G273), R357 (= R374)

Query Sequence

>WP_020176284.1 NCBI__GCF_000385335.1:WP_020176284.1
MSQSAADPRHASNSFFAASLAEADPEVAAAIAQELGRQRDEIELIASENIVSKAVLEAQG
SVLTNKYAEGYPGRRYYGGCQFVDIAENLAIERVKRLFDCGFANVQPNSGSQANQAVFLA
LLQPGDTFLGLDLAAGGHLTHGSPVNMSGKWFKPVSYGVRQDDHLIDMEKLAELALEHKP
KMIIAGGSAYPRFWDFAKFREIADSVGAIFMVDMAHFAGLVAGGVHPSPFPHAHVVTSTT
HKTLRGPRGGLVLTNDQDIAKKINSAVFPGLQGGPLMHVIAGKAVAFGEALQPSFKIYAR
QVVENAKALASSILEGGFDLASKGTDNHLMLVDLRPKNLTGKAAEAALGRAHITCNKNGV
PFDTASPMVTSGIRLGAPAATSRGFGIAEFKKVGELIVELLDGLAKNGDEKNGAVEAKVK
ADVAGLTQRFPIY

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