SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing H281DRAFT_00878 FitnessBrowser__Burk376:H281DRAFT_00878 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)

Q7XSN8 Serine racemase; D-serine dehydratase; D-serine ammonia-lyase; L-serine dehydratase; L-serine ammonia-lyase; EC 5.1.1.18; EC 4.3.1.18; EC 4.3.1.17 from Oryza sativa subsp. japonica (Rice) (see paper)
35% identity, 85% coverage: 31:324/344 of query aligns to 31:328/339 of Q7XSN8

query
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Q7XSN8

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E219 (= E218) mutation to A: Reduces catalytic activity and abolishes the regulatory effect of Mg(2+) addition; when associated with A-225.
D225 (≠ A224) mutation to A: Reduces catalytic activity and abolishes the regulatory effect of Mg(2+) addition; when associated with A-219.

5cvcA Structure of maize serine racemase (see paper)
35% identity, 88% coverage: 21:324/344 of query aligns to 5:312/329 of 5cvcA

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active site: K52 (= K68), S77 (≠ G93), E203 (= E218), A207 (= A222), D209 (≠ A224), G231 (≠ S246), V306 (≠ L318), S307 (≠ C319)
binding magnesium ion: E203 (= E218), A207 (= A222), D209 (≠ A224)
binding pyridoxal-5'-phosphate: F51 (= F67), K52 (= K68), N79 (= N95), I177 (= I192), S178 (≠ G193), G179 (= G194), G180 (= G195), G181 (= G196), L182 (= L197), G231 (≠ S246), L232 (= L247), E275 (= E291), S277 (≠ A293), S307 (≠ C319), G308 (= G320)

A4F2N8 L-threo-3-hydroxyaspartate ammonia-lyase; L-threo-3-hydroxyaspartate dehydratase; L-THA DH; EC 4.3.1.16 from Pseudomonas sp. (see paper)
35% identity, 85% coverage: 31:324/344 of query aligns to 16:309/319 of A4F2N8

query
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A4F2N8

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K53 (= K68) mutation to A: Loss of enzymatic activity.

1wtcA Crystal structure of s.Pombe serine racemase complex with amppcp (see paper)
33% identity, 94% coverage: 18:341/344 of query aligns to 2:318/318 of 1wtcA

query
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active site: K52 (= K68), S77 (≠ G93), E203 (= E218), G207 (≠ A222), D209 (≠ A224), G231 (≠ S246), I302 (≠ L318), S303 (≠ C319)
binding phosphomethylphosphonic acid adenylate ester: N20 (≠ A36), K47 (≠ A63), M48 (≠ G64), G49 (= G65), A106 (= A122), A109 (= A125), A110 (≠ L126), Y114 (= Y130), N306 (= N322)
binding magnesium ion: E203 (= E218), G207 (≠ A222), D209 (≠ A224)
binding pyridoxal-5'-phosphate: F51 (= F67), K52 (= K68), N79 (= N95), Y147 (≠ F162), L177 (≠ I192), G178 (= G193), G179 (= G194), G180 (= G195), G181 (= G196), L182 (= L197), G231 (≠ S246), E276 (= E291), T278 (≠ A293), S303 (≠ C319), G304 (= G320)

1v71A Crystal structure of s.Pombe serine racemase
33% identity, 94% coverage: 18:341/344 of query aligns to 2:318/318 of 1v71A

query
sites
1v71A

I

L

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P

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T

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Y

D

D

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A

A

A

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A

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A

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A

F
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F

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A

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N

A

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A

A

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S

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T

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A

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-

L

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E

K

K

L

L

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K

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K

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I

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I

L

I

L
x
I

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x
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|
G

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G

N

N

T

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D

P

-

V

-

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-

F

-

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active site: K52 (= K68), S77 (≠ G93), E203 (= E218), G207 (≠ A222), D209 (≠ A224), G231 (≠ S246), I302 (≠ L318), S303 (≠ C319)
binding magnesium ion: E203 (= E218), G207 (≠ A222), D209 (≠ A224)
binding pyridoxal-5'-phosphate: F51 (= F67), K52 (= K68), N79 (= N95), Y147 (≠ F162), L177 (≠ I192), G178 (= G193), G179 (= G194), G180 (= G195), G181 (= G196), L182 (= L197), G231 (≠ S246), E276 (= E291), T278 (≠ A293), S303 (≠ C319), G304 (= G320)

O59791 Serine racemase; D-serine ammonia-lyase; D-serine dehydratase; L-serine ammonia-lyase; L-serine dehydratase; EC 4.3.1.17; EC 4.3.1.18; EC 5.1.1.18 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
33% identity, 95% coverage: 14:341/344 of query aligns to 3:323/323 of O59791

query
sites
O59791

D

D

G

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A

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A

A

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S

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N

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A

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A

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-

L

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K

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Q

S82 (≠ G93) mutation to A: Loss of racemase activity. Reduces D-serine dehydratase activity by 99%. Slightly reduced L-serine dehydratase activity.

2zr8A Crystal structure of modified serine racemase complexed with serine (see paper)
33% identity, 94% coverage: 18:341/344 of query aligns to 3:319/319 of 2zr8A

query
sites
2zr8A

I

L

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P

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F

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K

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N

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A

F
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F

K
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K

A

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R

G

G

A

A

F

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N

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L

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A

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G

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H

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A

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A

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A

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M

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G

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T

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A

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L

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K

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E

K

K

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L

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K

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N

K

K

R

R

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I

G

G

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I

L

I

L
x
I

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x
S

G
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G

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G

N

N

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D

D

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V

-

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A

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Q

active site: K53 (= K68), S78 (≠ G93), E204 (= E218), G208 (≠ A222), D210 (≠ A224), G232 (≠ S246), I303 (≠ L318), S304 (≠ C319)
binding magnesium ion: E204 (= E218), G208 (≠ A222), D210 (≠ A224)
binding n-(5'-phosphopyridoxyl)-d-alanine: F52 (= F67), K53 (= K68), S77 (= S92), S78 (≠ G93), G79 (= G94), N80 (= N95), H81 (= H96), P147 (= P161), Y148 (≠ F162), L178 (≠ I192), G179 (= G193), G180 (= G194), G181 (= G195), G182 (= G196), L183 (= L197), G232 (≠ S246), E277 (= E291), T279 (≠ A293), S304 (≠ C319), G305 (= G320)
binding serine: S77 (= S92), S78 (≠ G93), R129 (≠ F144), P147 (= P161), Y148 (≠ F162), D231 (= D245), G232 (≠ S246), A233 (≠ L247), Q234 (≠ M248), T235 (≠ A249)

2zpuA Crystal structure of modified serine racemase from s.Pombe. (see paper)
33% identity, 94% coverage: 18:341/344 of query aligns to 3:319/319 of 2zpuA

query
sites
2zpuA

I

L

P

P

T

T

L

Y

D

D

I

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A

A

A

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A

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S

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K

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A

A

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F

F

F

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K

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C

E

E

L

N

L

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Q

A

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G

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A

F
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F

K
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K

A

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R

G

G

A

A

F

L

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N

N

A

L

L

L

S

A

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L

L

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N

E

E

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A

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Q

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K

A

A

G

G

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S

G
x
S

G
|
G

N
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N

H
|
H

A

A

V

Q

A

A

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I

A

A

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L

A

S

A

A

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L

L

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G

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A

A

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K

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L

A

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A

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A

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A

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K

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K

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G

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P
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P

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Y

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L

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A

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K

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C

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L

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G

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L

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L

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G

V

S

A

A

T

L

A

A

M

A

R

R

L

H

A

F

N

A

P

P

G

N

V

C

H

E

V

V

F

Y

G

G

V

V

E
|
E

P

P

E

E

G

A

A
x
G

D

N

A
x
D

M

G

G

Q

K

Q

S

S

F

F

A

R

A

K

N

G

H

S

T

I

V

V

K

H

M

I

G

D

H

T

M

P

H

K

G

T

I

I

A

A

D

D

S
x
G

L

A

M

Q

A

T

P

Q

H

H

T

L

E

G

E

N

Y

Y

S

T

Y

F

E

S

L

I

C

I

R

K

R

E

H

K

I

V

D

D

E

D

L

I

V

L

T

T

V

V

S

S

D

D

D

E

Q

E

L

L

C

I

A

D

A

C

M

L

L

K

T

F

L

Y

F

A

G

A

Q

R

L

M

K

K

L

I

A

V

V

V

E
|
E

P

P

A
x
T

C

G

A

C

A

L

A

S

T

F

A

A

L

A

L

R

G

A

P

-

L

M

R

K

E

E

K

K

L

L

Q

K

G

N

K

K

R

R

V

I

G

G

V

I

L

I

L
x
I

C
x
S

G
|
G

T

G

N

N

T

V

D

D

P

-

V

-

T

-

F

-

S

-

A

-

H

-

I

I

E

E

R

R

A

Y

R

A

Q

H

G

F

M

L

S

S

Q

Q

active site: K53 (= K68), S78 (≠ G93), E204 (= E218), G208 (≠ A222), D210 (≠ A224), G232 (≠ S246), I303 (≠ L318), S304 (≠ C319)
binding magnesium ion: E204 (= E218), G208 (≠ A222), D210 (≠ A224)
binding n-(5'-phosphopyridoxyl)-d-alanine: F52 (= F67), K53 (= K68), S77 (= S92), S78 (≠ G93), G79 (= G94), N80 (= N95), H81 (= H96), P147 (= P161), Y148 (≠ F162), C177 (≠ P191), L178 (≠ I192), G179 (= G193), G180 (= G194), G181 (= G195), G182 (= G196), L183 (= L197), G232 (≠ S246), E277 (= E291), T279 (≠ A293), S304 (≠ C319), G305 (= G320)

7nbgDDD structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen (see paper)
30% identity, 88% coverage: 23:324/344 of query aligns to 8:310/310 of 7nbgDDD

query
sites
7nbgDDD

D

D

I

V

A

E

A

K

Q

A

H

H

F

I

A

N

L

I

T

R

P

D

W

S

V

I

A

H

R

L

T

T

P

P

V

V

F

L

D

T

R

S

L

S

D

I

F

L

A

N

S

Q

L

L

E

T

G

G

T

R

V

N

V

L

N

F

F

F

K

K

F

C

E

E

L

L

L

F

Q

Q

A

K

G

T

G

G

S

S

F
|
F

K
|
K

A

I

R

R

G

G

A

A

F

L

T

N

N

A

L

V

L

R

A

S

L

L

D

-

E

-

T

V

Q

R

R

K

S

P

A

K

G

A

V

V

T

V

C

T

V

H

S

S

G
x
S

G

G

N
|
N

H

H

A
x
G

V
x
Q

A

A

V

L

A
x
T

Y

Y

A

A

M

K

R

L

L

E

G

G

I

I

S

P

A

A

K

Y

V
x
I

V

V

L

V

F

P

R

Q

A

T

A

A

N

P

P

D

A

C

R

K

V

K

A

L

L

A

C
x
I

R

Q

Q

A

Y
|
Y

R

G

A

A

E

S

I

I

V

V

F

Y

A

C

E

E

D

P

L

S

A

D

E

E

A

S

F

R

E

E

L

N

V

V

-

A

R

K

R

R

I

V

E

T

A

E

E

E

E

T

G

E

R

G

Y

I

F

M

V

V

H

H

P

P

F
x
N

N

Q

G

E

Y

P

R

A

T

V

V

I

L

A

G

G

S

Q

A

G

T

T

L

I

G

A

Y

L

E

E

W

V

S

L

T

N

Q

Q

T

V

P

P

D

L

L

V

E

D

A

A

V

L

I

V

V

V

P

P

I
x
V

G
|
G

L
x
M

A

L

A

A

G

G

V

I

A

A

T

I

A

T

M

V

R

K

L

A

A

L

N

K

P

P

G

S

V

V

H

K

V

V

F

Y

G

A

V

A

E
|
E

P

P

E

S

G

N

A
|
A

D

D

A
x
D

M

C

G

Y

K

Q

S

S

-

K

F

L

A

K

A

G

N

K

H

L

T

M

V

P

K

N

M

L

G

Y

H

P

M

P

H

E

G

T

I

I

A

A

D

D

S
x
G

L
x
V

M

K

A

S

P

-

H

S

T

I

E

G

E

L

Y
x
N

S

T

Y

W

E

P

L

I

C

I

R

R

R

D

H

L

I

V

D

D

E

D

L

I

V

F

T

T

V

V

S

T

D

E

D

D

Q

E

L

I

C

K

A

C

A

A

M

T

L

Q

T

L

L

V

F

W

G

E

Q

R

L

M

K

K

L

L

A

L

V

I

E
|
E

P

P

A
x
T

C

A

A

G

A

V

A

G

T

V

A

A

L

V

L

L

G

S

P

Q

L

H

R

F

E

Q

K

T

L

V

-

S

-

P

Q

E

G

V

K

K

R

N

V

I

G

C

V

I

L

V

L
|
L

C
x
S

G
|
G

T

G

N

N

T

V

D

D

active site: K53 (= K68), S76 (≠ G93), E202 (= E218), A206 (= A222), D208 (≠ A224), G231 (≠ S246), L304 (= L318), S305 (≠ C319)
binding calcium ion: E202 (= E218), A206 (= A222), D208 (≠ A224)
binding magnesium ion: N239 (≠ Y255)
binding ortho-xylene: S76 (≠ G93), G80 (≠ A97), Q81 (≠ V98), T84 (≠ A101), I96 (≠ V113), I110 (≠ C127), Y113 (= Y130)
binding pyridoxal-5'-phosphate: F52 (= F67), K53 (= K68), N78 (= N95), N146 (≠ F162), V176 (≠ I192), G177 (= G193), G178 (= G194), G179 (= G195), G180 (= G196), M181 (≠ L197), G231 (≠ S246), V232 (≠ L247), E275 (= E291), T277 (≠ A293), S305 (≠ C319), G306 (= G320)

Sites not aligning to the query:

binding magnesium ion: 3

3l6bA X-ray crystal structure of human serine racemase in complex with malonate a potent inhibitor (see paper)
29% identity, 91% coverage: 23:335/344 of query aligns to 9:322/322 of 3l6bA

query
sites
3l6bA

D

D

I

V

A

E

A

K

Q

A

H

H

F

I

A

N

L

I

T

R

P

D

W

S

V

I

A

H

R

L

T

T

P

P

V

V

F

L

D

T

R

S

L

S

D

I

F

L

A

N

S

Q

L

L

E

T

G

G

T

R

V

N

V

L

N

F

F

F

K

K

F

C

E

E

L

L

L

F

Q

Q

A

K

G

T

G

G

S

S

F
|
F

K
|
K

A

I

R

R

G

G

A

A

F

L

T

N

N

A

L

V

L

R

A

S

L

L

D

-

E

-

T

V

Q

R

R

K

S

P

A

K

G

A

V

V

T

V

C

T

V

H

S
|
S

G
x
S

G
|
G

N
|
N

H
|
H

A

G

V

Q

A

A

V

L

A

T

Y

Y

A

A

M

K

R

L

L

E

G

G

I

I

S

P

A

A

K

Y

V

I

V

V

L

V

F

P

R

Q

A

T

A

A

N

P

P

D

A

C

R

K

V

K

A

L

L

A

C

I

R

Q

Q

A

Y

Y

R

G

A

A

E

S

I

I

V

V

F

Y

A

C

E

E

D

P

L

S

A

D

E

E

A

S

F
x
R

E

E

L

N

V

V

-

A

R

K

R

R

I

V

E

T

A

E

E

E

E

T

G

E

R

G

Y

I

F

M

V

V

H

H

P
|
P

F
x
N

N

Q

G

E

Y

P

R

A

T

V

V

I

L

A

G

G

S

Q

A

G

T

T

L

I

G

A

Y

L

E

E

W

V

S

L

T

N

Q

Q

T

V

P

P

D

L

L

V

E

D

A

A

V

L

I

V

V

V

P
|
P

I
x
V

G
|
G

L
x
M

A

L

A

A

G

G

V

I

A

A

T

I

A

T

M

V

R

K

L

A

A

L

N

K

P

P

G

S

V

V

H

K

V

V

F

Y

G

A

V

A

E
|
E

P

P

E

S

G

N

A
|
A

D

D

A
x
D

M

C

G

Y

K

Q

S

S

-

K

F

L

A

K

A

G

N

K

H

L

T

M

V

P

K

N

M

L

G

Y

H

P

M

P

H

E

G

T

I

I

A

A

D

D

S
x
G

L
x
V

M

K

A
x
S

P

-

H

S

T

I

E

G

E

L

Y

N

S

T

Y

W

E

P

L

I

C

I

R

R

R

D

H

L

I

V

D

D

E

D

L

I

V

F

T

T

V

V

S

T

D

E

D

D

Q

E

L

I

C

K

A

C

A

A

M

T

L

Q

T

L

L

V

F

W

G

E

Q

R

L

M

K

K

L

L

A

L

V

I

E
|
E

P

P

A
x
T

C

A

A

G

A

V

A

G

T

V

A

A

L

V

L

L

G

S

P

Q

L

H

R

F

E

Q

K

T

L

V

-

S

-

P

Q

E

G

V

K

K

R

N

V

I

G

C

V

I

L

V

L
|
L

C
x
S

G
|
G

T

G

N

N

T

V

D

D

P

L

V

T

T

S

F

S

S

I

A

T

H

W

I

V

E

K

R

Q

A

A

active site: K54 (= K68), S77 (≠ G93), E203 (= E218), A207 (= A222), D209 (≠ A224), G232 (≠ S246), T278 (≠ A293), L305 (= L318), S306 (≠ C319)
binding malonate ion: K54 (= K68), S76 (= S92), S77 (≠ G93), G78 (= G94), N79 (= N95), H80 (= H96), R128 (≠ F144), P146 (= P161), G232 (≠ S246), S235 (≠ A249)
binding manganese (ii) ion: E203 (= E218), A207 (= A222), D209 (≠ A224)
binding pyridoxal-5'-phosphate: F53 (= F67), K54 (= K68), N79 (= N95), N147 (≠ F162), P176 (= P191), V177 (≠ I192), G178 (= G193), G179 (= G194), G180 (= G195), G181 (= G196), M182 (≠ L197), G232 (≠ S246), V233 (≠ L247), E276 (= E291), T278 (≠ A293), S306 (≠ C319), G307 (= G320)

7nbgAAA structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen (see paper)
30% identity, 88% coverage: 23:324/344 of query aligns to 8:315/322 of 7nbgAAA

query
sites
7nbgAAA

D

D

I

V

A

E

A

K

Q

A

H

H

F

I

A

N

L

I

T

R

P

D

W

S

V

I

A

H

R

L

T

T

P

P

V

V

F

L

D

T

R

S

L

S

D

I

F

L

A

N

S

Q

L

L

E

T

G

G

T

R

V

N

V

L

N

F

F

F

K

K

F

C

E

E

L

L

L

F

Q

Q

A

K

G

T

G

G

S

S

F
|
F

K
|
K

A

I

R

R

G

G

A

A

F

L

T

N

N

A

L

V

L

R

A

S

L

L

-

V

-

P

D

D

E

A

T

L

Q

E

R

R

S

K

-

P

A

K

G

A

V

V

T

V

C

T

V

H

S

S

G
x
S

G
|
G

N
|
N

H

H

A
x
G

V
x
Q

A

A

V

L

A
x
T

Y

Y

A

A

M

K

R

L

L

E

G

G

I

I

S

P

A

A

K

Y

V
x
I

V

V

L

V

F

P

R

Q

A

T

A

A

N

P

P

D

A

C

R
x
K

V

K

A

L

L
x
A

C
x
I

R

Q

Q

A

Y
|
Y

R

G

A

A

E

S

I

I

V

V

F

Y

A

C

E

E

D

P

L

S

A

D

E

E

A

S

F

R

E

E

L

N

V

V

-

A

R

K

R

R

I

V

E

T

A

E

E

E

E

T

G

E

R

G

Y

I

F

M

V

V

H

H

P

P

F
x
N

N

Q

G

E

Y

P

R

A

T

V

V

I

L

A

G

G

S

Q

A

G

T

T

L

I

G

A

Y

L

E

E

W

V

S

L

T

N

Q

Q

T

V

P

P

D

L

L

V

E

D

A

A

V

L

I

V

V

V

P

P

I
x
V

G
|
G

L
x
M

A

L

A

A

G

G

V

I

A

A

T

I

A

T

M

V

R

K

L

A

A

L

N

K

P

P

G

S

V

V

H

K

V

V

F

Y

G

A

V

A

E
|
E

P

P

E

S

G

N

A
|
A

D

D

A
x
D

M

C

G

Y

K

Q

S

S

-

K

F

L

A

K

A

G

N

K

H

L

T

M

V

P

K

N

M

L

G

Y

H

P

M

P

H

E

G

T

I

I

A

A

D

D

S
x
G

L
x
V

M

K

A

S

P

-

H

S

T

I

E

G

E

L

Y

N

S

T

Y

W

E

P

L

I

C

I

R

R

R

D

H

L

I

V

D

D

E

D

L

I

V

F

T

T

V

V

S

T

D

E

D

D

Q

E

L

I

C

K

A

C

A

A

M

T

L

Q

T

L

L

V

F

W

G

E

Q

R

L

M

K

K

L

L

A

L

V

I

E
|
E

P

P

A
x
T

C

A

A

G

A

V

A

G

T

V

A

A

L

V

L

L

G

S

P

Q

L

H

R

F

E

Q

K

T

L

V

-

S

-

P

Q

E

G

V

K

K

R

N

V

I

G

C

V

I

L

V

L
|
L

C
x
S

G
|
G

T

G

N

N

T

V

D

D

active site: K53 (= K68), S81 (≠ G93), E207 (= E218), A211 (= A222), D213 (≠ A224), G236 (≠ S246), L309 (= L318), S310 (≠ C319)
binding calcium ion: E207 (= E218), A211 (= A222), D213 (≠ A224)
binding pyridoxal-5'-phosphate: F52 (= F67), K53 (= K68), N83 (= N95), N151 (≠ F162), V181 (≠ I192), G182 (= G193), G183 (= G194), G184 (= G195), G185 (= G196), M186 (≠ L197), G236 (≠ S246), V237 (≠ L247), E280 (= E291), T282 (≠ A293), S310 (≠ C319), G311 (= G320)
binding ~{N}-[2-(2-methylphenyl)ethyl]ethanamide: S81 (≠ G93), G82 (= G94), G85 (≠ A97), Q86 (≠ V98), T89 (≠ A101), I101 (≠ V113), K111 (≠ R123), A114 (≠ L126), I115 (≠ C127), Y118 (= Y130)

6zspAAA serine racemase bound to atp and malonate. (see paper)
29% identity, 91% coverage: 23:336/344 of query aligns to 8:320/320 of 6zspAAA

query
sites
6zspAAA

D

D

I

V

A

E

A

K

Q

A

H

H

F

I

A

N

L

I

T

R

P

D

W

S

V

I

A

H

R

L

T

T

P

P

V

V

F

L

D

T

R
x
S

L
x
S

D
x
I

F

L

A

N

S

Q

L

L

E

T

G

G

T

R

V

N

V

L

N

F

F

F

K

K

F

C

E

E

L

L

L

F

Q

Q

A
x
K

G
x
T

G
|
G

S

S

F

F

K
|
K

A

I

R

R

G

G

A

A

F

L

T

N

N

A

L

V

L

R

A

S

L

L

D

-

E

-

T

-

Q

-

R

K

S

P

A

K

G

A

V

V

T

V

C

T

V

H

S
|
S

G
x
S

G
|
G

N
|
N

H
|
H

A

G

V
x
Q

A

A

V

L

A

T

Y

Y

A

A

M

K

R

L

L

E

G

G

I

I

S

P

A

A

K

Y

V

I

V

V

L

V

F

P

R

Q

A

T

A

A

N

P

P

D

A

C

R

K

V

K

A

L

L
x
A

C

I

R

Q

Q
x
A

Y
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Y

R

G

A

A

E

S

I

I

V

V

F

Y

A

C

E

E

D

P

L

S

A

D

E

E

A

S

F
x
R

E

E

L

N

V

V

-

A

R

K

R

R

I

V

E

T

A

E

E

E

E

T

G

E

R

G

Y

I

F

M

V

V

H

H

P
|
P

F

N

N

Q

G

E

Y

P

R

A

T

V

V

I

L

A

G

G

S

Q

A

G

T

T

L

I

G

A

Y

L

E

E

W

V

S

L

T

N

Q

Q

T

V

P

P

D

L

L

V

E

D

A

A

V

L

I

V

V

V

P

P

I

V

G

G

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M

A

L

A

A

G

G

V

I

A

A

T

I

A

T

M

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K

L

A

A

L

N

K

P

P

G

S

V

V

H

K

V

V

F

Y

G

A

V

A

E
|
E

P

P

E

S

G

N

A
|
A

D

D

A
x
D

M

C

G

Y

K

Q

S

S

-

K

F

L

A

K

A

G

N

K

H

L

T

M

V

P

K

N

M

L

G

Y

H

P

M

P

H

E

G

T

I

I

A

A

D

D

S
x
G

L

V

M

K

A
x
S

P

-

H

S

T

I

E

G

E

L

Y

N

S

T

Y

W

E

P

L

I

C

I

R

R

R

D

H

L

I

V

D

D

E

D

L

I

V

F

T

T

V

V

S

T

D

E

D

D

Q

E

L

I

C

K

A

C

A

A

M

T

L

Q

T

L

L

V

F

W

G
x
E

Q
x
R

L

M

K
|
K

L

L

A

L

V

I

E

E

P

P

A

T

C

A

A

G

A

V

A

G

T

V

A

A

L

V

L

L

G

S

P

Q

L

H

R

F

E

Q

K

T

L

V

-

S

-

P

Q

E

G

V

K

K

R

N

V

I

G

C

V

I

L

V

L
|
L

C
x
S

G

G

T

G

N
|
N

T

V

D

D

P

L

V

T

T

S

F

S

S

I

A

T

H

W

I

V

E

K

R

Q

A

A

R

E

active site: K53 (= K68), S74 (≠ G93), E200 (= E218), A204 (= A222), D206 (≠ A224), G229 (≠ S246), L302 (= L318), S303 (≠ C319)
binding adenosine-5'-triphosphate: S28 (≠ R43), S29 (≠ L44), I30 (≠ D45), K48 (≠ A63), T49 (≠ G64), G50 (= G65), Q79 (≠ V98), A107 (≠ L126), A110 (≠ Q129), Y111 (= Y130), E266 (≠ G284), R267 (≠ Q285), K269 (= K287), N306 (= N322)
binding magnesium ion: E200 (= E218), A204 (= A222), D206 (≠ A224)
binding malonate ion: K53 (= K68), S73 (= S92), S74 (≠ G93), G75 (= G94), N76 (= N95), H77 (= H96), R125 (≠ F144), P143 (= P161), G229 (≠ S246), S232 (≠ A249)

7nbfAAA structure of human serine racemase in complex with DSiP fragment Z126932614, XChem fragment screen (see paper)
30% identity, 88% coverage: 23:324/344 of query aligns to 8:315/323 of 7nbfAAA

query
sites
7nbfAAA

D

D

I

V

A

E

A

K

Q

A

H

H

F

I

A

N

L

I

T

R

P

D

W

S

V

I

A
x
H

R
x
L

T
|
T

P
|
P

V
|
V

F
x
L

D
x
T

R

S

L

S

D

I

F

L

A

N

S

Q

L

L

E

T

G

G

T

R

V

N

V

L

N

F

F

F

K

K

F

C

E

E

L

L

L
x
F

Q

Q

A

K

G

T

G

G

S

S

F
|
F

K
|
K

A

I

R

R

G

G

A

A

F

L

T

N

N

A

L

V

L

R

A

S

L

L

-

V

-

P

D

D

E

A

T

L

Q

E

R

R

S

K

-

P

A

K

G

A

V

V

T

V

C

T

V

H

S

S

G
x
S

G

G

N
|
N

H

H

A

G

V

Q

A

A

V

L

A

T

Y

Y

A

A

M

K

R

L

L

E

G

G

I

I

S

P

A

A

K

Y

V

I

V

V

L

V

F

P

R

Q

A

T

A

A

N

P

P

D

A

C

R

K

V

K

A

L

L

A

C

I

R

Q

Q

A

Y

Y

R

G

A

A

E

S

I

I

V

V

F

Y

A

C

E

E

D

P

L

S

A

D

E

E

A

S

F

R

E

E

L

N

V

V

-

A

R

K

R

R

I

V

E

T

A

E

E

E

E

T

G

E

R

G

Y

I

F

M

V

V

H

H

P

P

F
x
N

N

Q

G

E

Y

P

R

A

T

V

V

I

L

A

G

G

S

Q

A

G

T

T

L

I

G

A

Y

L

E

E

W

V

S

L

T

N

Q

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V

P

P

D

L

L

V

E

D

A

A

V

L

I

V

V

V

P

P

I
x
V

G
|
G

L
x
M

A

L

A

A

G

G

V

I

A

A

T

I

A

T

M

V

R

K

L

A

A

L

N

K

P

P

G

S

V

V

H

K

V

V

F

Y

G

A

V

A

E
|
E

P

P

E

S

G

N

A
|
A

D

D

A
x
D

M

C

G

Y

K

Q

S

S

-

K

F

L

A

K

A

G

N

K

H

L

T

M

V

P

K

N

M

L

G

Y

H

P

M

P

H

E

G

T

I

I

A

A

D

D

S
x
G

L
x
V

M

K

A

S

P

-

H

S

T

I

E

G

E

L

Y
x
N

S

T

Y

W

E

P

L

I

C

I

R

R

R

D

H

L

I

V

D

D

E

D

L

I

V

F

T

T

V

V

S

T

D

E

D

D

Q

E

L

I

C

K

A

C

A

A

M

T

L

Q

T

L

L

V

F

W

G

E

Q

R

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M

K

K

L

L

A

L

V

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E
|
E