SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF2535 FitnessBrowser__WCS417:GFF2535 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)

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)
85% identity, 99% coverage: 1:318/321 of query aligns to 1:318/319 of A4F2N8

query
sites
A4F2N8

M

M

P

Q

S

L

P

S

T

S

Y

Y

Q

H

D

D

V

V

I

I

D

K

A

A

A

A

Q

E

R

R

L

L

E

E

G

G

V

F

A

A

H

N

A

R

T

T

P

P

V

V

F

F

T

T

S

S

R

R

T

T

L

L

D

D

A

A

L

E

T

T

G

G

A

A

Q

Q

V

V

F

F

I

I

K

K

C

C

E

E

H

N

L

L

Q

Q

R

R

A

T

G

G

S

S

F

F

K
|
K

F

F

R

R

G

G

A

A

F

F

N

N

A

A

L

L

S

S

Q

R

F

F

N

D

P

E

Q

A

Q

Q

R

R

K

K

A

A

G

G

V

V

V

V

A

A

F

F

S

S

S

S

G

G

N

N

H

H

A

A

Q

Q

G

G

I

I

A

A

L

L

A

A

A

A

Q

R

L

L

L

L

G

Q

I

M

P

P

A

A

T

T

I

I

V

V

M

M

P

P

T

T

D

D

A

A

P

P

A

A

A

A

K

K

V

V

A

A

A

A

T

T

R

R

E

E

Y

Y

G

G

A

A

S

T

V

V

V

V

L

F

Y

Y

D

D

R

R

F

I

T

T

E

E

D

D

R

R

E

E

Q

Q

I

I

G

G

R

R

N

T

L

L

A

A

T

E

E

Q

Q

H

G

G

L

M

T

T

L

L

I

I

P

P

P

S

Y

Y

D

D

H

H

P

P

H

D

I

V

L

L

A

A

G

G

Q

Q

G

G

T

T

A

A

A

A

K

K

E

E

L

L

L

L

E

E

S

F

T

T

G

G

P

P

L

L

D

D

A

A

L

L

F

F

V

V

G

G

L

L

G

G

G

G

G

G

G

G

M

M

L

L

S

S

G

G

T

T

A

A

L

L

S

A

T

T

R

R

A

A

L

L

S

S

P

P

D

D

C

C

L

L

L

L

Y

Y

G

G

V

V

E

E

P

P

E

E

A

A

G

G

N

N

D

D

G

G

Q

Q

R

R

S

S

F

F

R

Q

S

T

G

G

S

S

I

I

V

V

H

H

I

I

D

D

T

T

P

P

K

A

T

T

I

I

A

A

D

D

G

G

A

A

Q

Q

T

T

Q

Q

H

H

L

L

G

G

N

N

Y

H

T

T

F

F

P

P

I

I

I

I

R

R

D

E

N

N

V

V

N

N

D

D

I

I

L

L

T

T

V

V

S

S

D

D

A

A

E

E

L

L

V

V

A

E

A

S

M

M

K

R

F

F

F

F

M

M

Q

Q

R

R

M

M

K

K

M

M

V

V

V

V

E

E

P

P

T

T

G

G

C

C

L

L

G

G

L

L

A

A

A

A

L

L

L

R

N

N

E

L

A

K

G

Q

R

Q

F

F

K

R

G

G

Q

Q

R

R

V

V

G

G

I

I

I

I

V

V

T

T

G

G

G

G

N

N

V

V

D

D

I

I

E

E

K

K

Y

Y

A

A

A

S

L

L

L

L

S

K

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

2zr8A Crystal structure of modified serine racemase complexed with serine (see paper)
65% identity, 98% coverage: 4:319/321 of query aligns to 4:319/319 of 2zr8A

query
sites
2zr8A

P

P

T

T

Y

Y

Q

D

D

D

V

V

I

A

D

S

A

A

A

S

Q

E

R

R

L

I

E

K

G

K

V

F

A

A

H

N

A

K

T

T

P

P

V

V

F

L

T

T

S

S

R

S

T

T

L

V

D

N

A

K

L

E

T

F

G

V

A

A

Q

E

V

V

F

F

I

F

K

K

C

C

E

E

H

N

L

F

Q

Q

R

K

A

M

G

G

S

A

F
|
F

K
|
K

F

F

R

R

G

G

A

A

F

L

N

N

A

A

L

L

S

S

Q

Q

F

L

N

N

P

E

Q

A

Q

Q

R

R

K

K

A

A

G

G

V

V

V

L

A

T

F

F

S
|
S

S
|
S

G

G

N
|
N

H
|
H

A

A

Q

Q

G

A

I

I

A

A

L

L

A

S

A

A

Q

K

L

I

L

L

G

G

I

I

P

P

A

A

T

K

I

I

V

I

M

M

P

P

T

L

D

D

A

A

P

P

A

E

A

A

K

K

V

V

A

A

A

A

T

T

R

K

E

G

Y

Y

G

G

A

G

S

Q

V

V

V

I

L

M

Y

Y

D

D

R

R

F

Y

T

K

E

D

D

D

R
|
R

E

E

Q

K

I

M

G

A

R

K

N

E

L

I

A

S

T

E

E

R

Q

E

G

G

L

L

T

T

L

I

I

I

P

P

P
|
P

Y

Y

D

D

H

H

P

P

H

H

I

V

L

L

A

A

G

G

Q

Q

G

G

T

T

A

A

A

A

K

K

E

E

L

L

L

F

E

E

S

E

T

V

G

G

P

P

L

L

D

D

A

A

L

L

F

F

V

V

G

C

L

L

G
|
G

G
|
G

G
|
G

G
|
G

M

L

L

L

S

S

G

G

T

S

A

A

L

L

S

A

T

A

R

R

A

H

L

F

S

A

P

P

D

N

C

C

L

E

L

V

Y

Y

G

G

V

V

E
|
E

P

P

E

E

A

A

G
|
G

N

N

D
|
D

G

G

Q

Q

R

Q

S

S

F

F

R

R

S

K

G

G

S

S

I

I

V

V

H

H

I

I

D

D

T

T

P

P

K

K

T

T

I

I

A

A

D
|
D

G
|
G

A
|
A

Q
|
Q

T
|
T

Q

Q

H

H

L

L

G

G

N

N

Y

Y

T

T

F

F

P

S

I

I

I

I

R

K

D

E

N

K

V

V

N

D

D

D

I

I

L

L

T

T

V

V

S

S

D

D

A

E

E

E

L

L

V

I

A

D

A

C

M

L

K

K

F

F

F

Y

M

A

Q

A

R

R

M

M

K

K

M

I

V

V

V

V

E
|
E

P

P

T
|
T

G

G

C

C

L

L

G

S

L

F

A

A

A

A

L

A

L

R

N

A

E

M

A

K

G

E

R

K

F

L

K

K

G

N

Q

K

R

R

V

I

G

G

I

I

I

I

V
x
I

T
x
S

G

G

G

G

N

N

V

V

D

D

I

I

E

E

K

R

Y

Y

A

A

A

H

L

F

L

L

S

S

E

Q

active site: K53 (= K53), S78 (= S78), E204 (= E204), G208 (= G208), D210 (= D210), G232 (= G232), I303 (≠ V303), S304 (≠ T304)
binding magnesium ion: E204 (= E204), G208 (= G208), D210 (= D210)
binding n-(5'-phosphopyridoxyl)-d-alanine: F52 (= F52), K53 (= K53), S77 (= S77), S78 (= S78), N80 (= N80), H81 (= H81), P147 (= P147), G179 (= G179), G180 (= G180), G181 (= G181), G182 (= G182), G232 (= G232), E277 (= E277), T279 (= T279), S304 (≠ T304)
binding serine: S78 (= S78), R129 (= R129), D231 (= D231), G232 (= G232), A233 (= A233), Q234 (= Q234), T235 (= T235)

2zpuA Crystal structure of modified serine racemase from s.Pombe. (see paper)
65% identity, 98% coverage: 4:319/321 of query aligns to 4:319/319 of 2zpuA

query
sites
2zpuA

P

P

T

T

Y

Y

Q

D

D

D

V

V

I

A

D

S

A

A

A

S

Q

E

R

R

L

I

E

K

G

K

V

F

A

A

H

N

A

K

T

T

P

P

V

V

F

L

T

T

S

S

R

S

T

T

L

V

D

N

A

K

L

E

T

F

G

V

A

A

Q

E

V

V

F

F

I

F

K

K

C

C

E

E

H

N

L

F

Q

Q

R

K

A

M

G

G

S

A

F
|
F

K
|
K

F

F

R

R

G

G

A

A

F

L

N

N

A

A

L

L

S

S

Q

Q

F

L

N

N

P

E

Q

A

Q

Q

R

R

K

K

A

A

G

G

V

V

V

L

A

T

F

F

S
|
S

S
|
S

G

G

N
|
N

H
|
H

A

A

Q

Q

G

A

I

I

A

A

L

L

A

S

A

A

Q

K

L

I

L

L

G

G

I

I

P

P

A

A

T

K

I

I

V

I

M

M

P

P

T

L

D

D

A

A

P

P

A

E

A

A

K

K

V

V

A

A

A

A

T

T

R

K

E

G

Y

Y

G

G

A

G

S

Q

V

V

V

I

L

M

Y

Y

D

D

R

R

F

Y

T

K

E

D

D

D

R

R

E

E

Q

K

I

M

G

A

R

K

N

E

L

I

A

S

T

E

E

R

Q

E

G

G

L

L

T

T

L

I

I

I

P

P

P
|
P

Y

Y

D

D

H

H

P

P

H

H

I

V

L

L

A

A

G

G

Q

Q

G

G

T

T

A

A

A

A

K

K

E

E

L

L

L

F

E

E

S

E

T

V

G

G

P

P

L

L

D

D

A

A

L

L

F

F

V

V

G

C

L

L

G
|
G

G
|
G

G
|
G

G
|
G

M

L

L

L

S

S

G

G

T

S

A

A

L

L

S

A

T

A

R

R

A

H

L

F

S

A

P

P

D

N

C

C

L

E

L

V

Y

Y

G

G

V

V

E
|
E

P

P

E

E

A

A

G
|
G

N

N

D
|
D

G

G

Q

Q

R

Q

S

S

F

F

R

R

S

K

G

G

S

S

I

I

V

V

H

H

I

I

D

D

T

T

P

P

K

K

T

T

I

I

A

A

D

D

G
|
G

A

A

Q

Q

T

T

Q

Q

H

H

L

L

G

G

N

N

Y

Y

T

T

F

F

P

S

I

I

I

I

R

K

D

E

N

K

V

V

N

D

D

D

I

I

L

L

T

T

V

V

S

S

D

D

A

E

E

E

L

L

V

I

A

D

A

C

M

L

K

K

F

F

F

Y

M

A

Q

A

R

R

M

M

K

K

M

I

V

V

V

V

E
|
E

P

P

T
|
T

G

G

C

C

L

L

G

S

L

F

A

A

A

A

L

A

L

R

N

A

E

M

A

K

G

E

R

K

F

L

K

K

G

N

Q

K

R

R

V

I

G

G

I

I

I

I

V
x
I

T
x
S

G

G

G

G

N

N

V

V

D

D

I

I

E

E

K

R

Y

Y

A

A

A

H

L

F

L

L

S

S

E

Q

active site: K53 (= K53), S78 (= S78), E204 (= E204), G208 (= G208), D210 (= D210), G232 (= G232), I303 (≠ V303), S304 (≠ T304)
binding magnesium ion: E204 (= E204), G208 (= G208), D210 (= D210)
binding n-(5'-phosphopyridoxyl)-d-alanine: F52 (= F52), K53 (= K53), S77 (= S77), S78 (= S78), N80 (= N80), H81 (= H81), P147 (= P147), G179 (= G179), G180 (= G180), G181 (= G181), G182 (= G182), G232 (= G232), E277 (= E277), T279 (= T279), S304 (≠ T304)

1wtcA Crystal structure of s.Pombe serine racemase complex with amppcp (see paper)
65% identity, 98% coverage: 4:319/321 of query aligns to 3:318/318 of 1wtcA

query
sites
1wtcA

P

P

T

T

Y

Y

Q

D

D

D

V

V

I

A

D

S

A

A

A

S

Q

E

R

R

L

I

E

K

G

K

V

F

A

A

H
x
N

A

K

T

T

P

P

V

V

F

L

T

T

S

S

R

S

T

T

L

V

D

N

A

K

L

E

T

F

G

V

A

A

Q

E

V

V

F

F

I

F

K

K

C

C

E

E

H

N

L

F

Q

Q

R
x
K

A
x
M

G

G

S

A

F
|
F

K
|
K

F

F

R

R

G

G

A

A

F

L

N

N

A

A

L

L

S

S

Q

Q

F

L

N

N

P

E

Q

A

Q

Q

R

R

K

K

A

A

G

G

V

V

V

L

A

T

F

F

S

S

S
|
S

G

G

N
|
N

H

H

A

A

Q

Q

G

A

I

I

A

A

L

L

A

S

A

A

Q

K

L

I

L

L

G

G

I

I

P

P

A

A

T

K

I

I

V

I

M

M

P

P

T

L

D

D

A

A

P

P

A

E

A

A

K

K

V

V

A
|
A

A
|
A

T

T

R

K

E

G

Y
|
Y

G

G

A

G

S

Q

V

V

V

I

L

M

Y

Y

D

D

R

R

F

Y

T

K

E

D

D

D

R

R

E

E

Q

K

I

M

G

A

R

K

N

E

L

I

A

S

T

E

E

R

Q

E

G

G

L

L

T

T

L

I

I

I

P

P

P

P

Y

Y

D

D

H

H

P

P

H

H

I

V

L

L

A

A

G

G

Q

Q

G

G

T

T

A

A

A

A

K

K

E

E

L

L

L

F

E

E

S

E

T

V

G

G

P

P

L

L

D

D

A

A

L

L

F

F

V

V

G

C

L

L

G
|
G

G
|
G

G
|
G

G
|
G

M

L

L

L

S

S

G

G

T

S

A

A

L

L

S

A

T

A

R

R

A

H

L

F

S

A

P

P

D

N

C

C

L

E

L

V

Y

Y

G

G

V

V

E
|
E

P

P

E

E

A

A

G
|
G

N

N

D
|
D

G

G

Q

Q

R

Q

S

S

F

F

R

R

S

K

G

G

S

S

I

I

V

V

H

H

I

I

D

D

T

T

P

P

K

K

T

T

I

I

A

A

D

D

G
|
G

A

A

Q

Q

T

T

Q

Q

H

H

L

L

G

G

N

N

Y

Y

T

T

F

F

P

S

I

I

I

I

R

K

D

E

N

K

V

V

N

D

D

D

I

I

L

L

T

T

V

V

S

S

D

D

A

E

E

E

L

L

V

I

A

D

A

C

M

L

K

K

F

F

F

Y

M

A

Q

A

R

R

M

M

K

K

M

I

V

V

V

V

E
|
E

P

P

T
|
T

G

G

C

C

L

L

G

S

L

F

A

A

A

A

L

A

L

R

N

A

E

M

A

K

G

E

R

K

F

L

K

K

G

N

Q

K

R

R

V

I

G

G

I

I

I

I

V
x
I

T
x
S

G

G

G

G

N

N

V

V

D

D

I

I

E

E

K

R

Y

Y

A

A

A

H

L

F

L

L

S

S

E

Q

active site: K52 (= K53), S77 (= S78), E203 (= E204), G207 (= G208), D209 (= D210), G231 (= G232), I302 (≠ V303), S303 (≠ T304)
binding phosphomethylphosphonic acid adenylate ester: N20 (≠ H21), K47 (≠ R48), M48 (≠ A49), A109 (= A110), A110 (= A111), Y114 (= Y115)
binding magnesium ion: E203 (= E204), G207 (= G208), D209 (= D210)
binding pyridoxal-5'-phosphate: F51 (= F52), K52 (= K53), N79 (= N80), G178 (= G179), G179 (= G180), G180 (= G181), G181 (= G182), G231 (= G232), E276 (= E277), T278 (= T279), S303 (≠ T304)

1v71A Crystal structure of s.Pombe serine racemase
65% identity, 98% coverage: 4:319/321 of query aligns to 3:318/318 of 1v71A

query
sites
1v71A

P

P

T

T

Y

Y

Q

D

D

D

V

V

I

A

D

S

A

A

A

S

Q

E

R

R

L

I

E

K

G

K

V

F

A

A

H

N

A

K

T

T

P

P

V

V

F

L

T

T

S

S

R

S

T

T

L

V

D

N

A

K

L

E

T

F

G

V

A

A

Q

E

V

V

F

F

I

F

K

K

C

C

E

E

H

N

L

F

Q

Q

R

K

A

M

G

G

S

A

F
|
F

K
|
K

F

F

R

R

G

G

A

A

F

L

N

N

A

A

L

L

S

S

Q

Q

F

L

N

N

P

E

Q

A

Q

Q

R

R

K

K

A

A

G

G

V

V

V

L

A

T

F

F

S

S

S
|
S

G

G

N
|
N

H

H

A

A

Q

Q

G

A

I

I

A

A

L

L

A

S

A

A

Q

K

L

I

L

L

G

G

I

I

P

P

A

A

T

K

I

I

V

I

M

M

P

P

T

L

D

D

A

A

P

P

A

E

A

A

K

K

V

V

A

A

A

A

T

T

R

K

E

G

Y

Y

G

G

A

G

S

Q

V

V

V

I

L

M

Y

Y

D

D

R

R

F

Y

T

K

E

D

D

D

R

R

E

E

Q

K

I

M

G

A

R

K

N

E

L

I

A

S

T

E

E

R

Q

E

G

G

L

L

T

T

L

I

I

I

P

P

P

P

Y

Y

D

D

H

H

P

P

H

H

I

V

L

L

A

A

G

G

Q

Q

G

G

T

T

A

A

A

A

K

K

E

E

L

L

L

F

E

E

S

E

T

V

G

G

P

P

L

L

D

D

A

A

L

L

F

F

V

V

G

C

L

L

G
|
G

G
|
G

G
|
G

G
|
G

M

L

L

L

S

S

G

G

T

S

A

A

L

L

S

A

T

A

R

R

A

H

L

F

S

A

P

P

D

N

C

C

L

E

L

V

Y

Y

G

G

V

V

E
|
E

P

P

E

E

A

A

G
|
G

N

N

D
|
D

G

G

Q

Q

R

Q

S

S

F

F

R

R

S

K

G

G

S

S

I

I

V

V

H

H

I

I

D

D

T

T

P

P

K

K

T

T

I

I

A

A

D

D

G
|
G

A

A

Q

Q

T

T

Q

Q

H

H

L

L

G

G

N

N

Y

Y

T

T

F

F

P

S

I

I

I

I

R

K

D

E

N

K

V

V

N

D

D

D

I

I

L

L

T

T

V

V

S

S

D

D

A

E

E

E

L

L

V

I

A

D

A

C

M

L

K

K

F

F

F

Y

M

A

Q

A

R

R

M

M

K

K

M

I

V

V

V

V

E
|
E

P

P

T
|
T

G

G

C

C

L

L

G

S

L

F

A

A

A

A

L

A

L

R

N

A

E

M

A

K

G

E

R

K

F

L

K

K

G

N

Q

K

R

R

V

I

G

G

I

I

I

I

V
x
I

T
x
S

G
|
G

G

G

N

N

V

V

D

D

I

I

E

E

K

R

Y

Y

A

A

A

H

L

F

L

L

S

S

E

Q

active site: K52 (= K53), S77 (= S78), E203 (= E204), G207 (= G208), D209 (= D210), G231 (= G232), I302 (≠ V303), S303 (≠ T304)
binding magnesium ion: E203 (= E204), G207 (= G208), D209 (= D210)
binding pyridoxal-5'-phosphate: F51 (= F52), K52 (= K53), N79 (= N80), G178 (= G179), G179 (= G180), G180 (= G181), G181 (= G182), G231 (= G232), E276 (= E277), T278 (= T279), S303 (≠ T304), G304 (= G305)

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)
65% identity, 98% coverage: 4:319/321 of query aligns to 8:323/323 of O59791

query
sites
O59791

P

P

T

T

Y

Y

Q

D

D

D

V

V

I

A

D

S

A

A

A

S

Q

E

R

R

L

I

E

K

G

K

V

F

A

A

H

N

A

K

T

T

P

P

V

V

F

L

T

T

S

S

R

S

T

T

L

V

D

N

A

K

L

E

T

F

G

V

A

A

Q

E

V

V

F

F

I

F

K

K

C

C

E

E

H

N

L

F

Q

Q

R

K

A

M

G

G

S

A

F

F

K

K

F

F

R

R

G

G

A

A

F

L

N

N

A

A

L

L

S

S

Q

Q

F

L

N

N

P

E

Q

A

Q

Q

R

R

K

K

A

A

G

G

V

V

V

L

A

T

F

F

S

S

S
|
S

G

G

N

N

H

H

A

A

Q

Q

G

A

I

I

A

A

L

L

A

S

A

A

Q

K

L

I

L

L

G

G

I

I

P

P

A

A

T

K

I

I

V

I

M

M

P

P

T

L

D

D

A

A

P

P

A

E

A

A

K

K

V

V

A

A

A

A

T

T

R

K

E

G

Y

Y

G

G

A

G

S

Q

V

V

V

I

L

M

Y

Y

D

D

R

R

F

Y

T

K

E

D

D

D

R

R

E

E

Q

K

I

M

G

A

R

K

N

E

L

I

A

S

T

E

E

R

Q

E

G

G

L

L

T

T

L

I

I

I

P

P

P

P

Y

Y

D

D

H

H

P

P

H

H

I

V

L

L

A

A

G

G

Q

Q

G

G

T

T

A

A

A

A

K

K

E

E

L

L

L

F

E

E

S

E

T

V

G

G

P

P

L

L

D

D

A

A

L

L

F

F

V

V

G

C

L

L

G

G

G

G

G

G

G

G

M

L

L

L

S

S

G

G

T

S

A

A

L

L

S

A

T

A

R

R

A

H

L

F

S

A

P

P

D

N

C

C

L

E

L

V

Y

Y

G

G

V

V

E

E

P

P

E

E

A

A

G

G

N

N

D

D

G

G

Q

Q

R

Q

S

S

F

F

R

R

S

K

G

G

S

S

I

I

V

V

H

H

I

I

D

D

T

T

P

P

K

K

T

T

I

I

A

A

D

D

G

G

A

A

Q

Q

T

T

Q

Q

H

H

L

L

G

G

N

N

Y

Y

T

T

F

F

P

S

I

I

I

I

R

K

D

E

N

K

V

V

N

D

D

D

I

I

L

L

T

T

V

V

S

S

D

D

A

E

E

E

L

L

V

I

A

D

A

C

M

L

K

K

F

F

F

Y

M

A

Q

A

R

R

M

M

K

K

M

I

V

V

V

V

E

E

P

P

T

T

G

G

C

C

L

L

G

S

L

F

A

A

A

A

L

A

L

R

N

A

E

M

A

K

G

E

R

K

F

L

K

K

G

N

Q

K

R

R

V

I

G

G

I

I

I

I

V

I

T

S

G

G

G

G

N

N

V

V

D

D

I

I

E

E

K

R

Y

Y

A

A

A

H

L

F

L

L

S

S

E

Q

S82 (= S78) mutation to A: Loss of racemase activity. Reduces D-serine dehydratase activity by 99%. Slightly reduced L-serine dehydratase activity.

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)
41% identity, 93% coverage: 11:310/321 of query aligns to 26:329/339 of Q7XSN8

query
sites
Q7XSN8

D

E

A

A

A

Q

Q

A

R

R

L

I

E

A

G

P

V

Y

A

V

H

H

A

K

T

T

P

P

V

V

F

L

T

S

S

S

R

T

T

S

L

I

D

D

A

A

L

I

T

V

G

G

A

K

Q

Q

V

L

F

F

I

F

K

K

C

C

E

E

H

C

L

F

Q

Q

R

K

A

A

G

G

S

A

F

F

K

K

F

I

R

R

G

G

A

A

F

S

N

N

A

S

L

I

S

F

Q

A

F

L

N

D

P

D

Q

D

Q

E

R

A

K

S

A

K

G

G

V

V

V

V

A

T

F

H

S

S

S

S

G

G

N

N

H

H

A

A

Q

A

G

A

I

V

A

A

L

L

A

A

A

A

Q

K

L

L

L

R

G

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

I

P

P

T

R

D

N

A

A

P

P

A

A

A

C

K

K

V

V

A

D

A

N

T

V

R

K

E

R

Y

Y

G

G

A

G

S

H

V

I

V

I

L

W

Y

S

D

D

R

V

F

S

T

I

E

E

D

S

R

R

E

E

Q

S

I

V

G

A

R

K

N

R

L

V

A

Q

T

E

E

E

Q

T

G

G

L

A

T

I

L

L

I

V

P

H

P

P

Y

F

D

N

H

N

P

K

H

N

I

T

L

I

A

S

G

G

Q

Q

G

G

T

T

A

V

A

S

K

L

E

E

L

L

L

L

E

E

S

E

T

V

G

P

P

E

L

I

D

D

A

T

L

I

F

I

V

V

G

P

L

I

G

S

G

G

G

G

G

G

M

L

L

I

S

S

G

G

T

V

A

A

L

L

S

A

T

A

R

K

A

A

L

I

S

N

P

P

D

S

C

I

L

R

L

I

Y

L

G

A

V

A

E
|
E

P

P

E

K

A

G

G

A

N

D

D
|
D

G

S

Q

A

R

Q

S

S

F

K

R

A

S

A

G

G

S

K

I

I

V

I

H

T

I

L

D

P

T

S

P

T

K

N

T

T

I

I

A

A

D

D

G

G

A

L

Q

R

T

A

Q

-

H

F

L

L

G

G

N

D

Y

L

T

T

F

W

P

P

I

V

I

V

R

R

D

D

N

L

V

V

N

D

D

D

I

I

L

I

T

V

V

V

S

D

D

D

A

N

E

A

L

I

V

V

A

D

A

A

M

M

K

K

F

M

F

C

M

Y

Q

E

R

M

M

L

K

K

M

V

V

A

V

V

E

E

P

P

T

S

G

G

C

A

L

I

G

G

L

L

A

A

A

A

L

A

L

L

N

S

E

D

-

E

-

F

-

K

-

Q

-

S

A

S

G

A

R

W

F

H

K

E

G

S

Q

S

R

K

V

I

G

G

I

I

I

I

V

V

T

S

G

G

G

G

N

N

V

V

D

D

I

L

E219 (= E204) mutation to A: Reduces catalytic activity and abolishes the regulatory effect of Mg(2+) addition; when associated with A-225.
D225 (= D210) mutation to A: Reduces catalytic activity and abolishes the regulatory effect of Mg(2+) addition; when associated with A-219.

6zspAAA serine racemase bound to atp and malonate. (see paper)
40% identity, 98% coverage: 5:320/321 of query aligns to 5:319/320 of 6zspAAA

query
sites
6zspAAA

T

S

Y

F

Q

A

D

D

V

V

I

E

D

K

A

A

A

H

Q

I

R

N

L

I

E

R

G

D

V

S

A

I

H

H

A

L

T

T

P

P

V

V

F

L

T

T

S
|
S

R
x
S

T
x
I

L

L

D

N

A

Q

L

L

T

T

G

G

A

R

Q

N

V

L

F

F

I

F

K

K

C

C

E

E

H

L

L

F

Q

Q

R
x
K

A
x
T

G

G

S

S

F

F

K
|
K

F

I

R

R

G

G

A

A

F

L

N

N

A

A

L

V

S

R

Q

S

F

L

N

K

P

P

Q

K

Q

-

R

-

K

-

A

-

G

A

V

V

V

V

A

T

F

H

S
|
S

S
|
S

G

G

N
|
N

H
|
H

A

G

Q
|
Q

G

A

I

L

A

T

L

Y

A

A

A

A

Q

K

L

L

L

E

G

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

T

Q

D

T

A

A

P

P

A

D

A

C

K

K

V

K

A

L

A

A

T

I

R

Q

E

A

Y
|
Y

G

G

A

A

S

S

V

I

V

V

L

Y

Y

C

D

E

R

P

F

S

T

D

E

E

D

S

R
|
R

E

E

Q

N

I

V

G

A

R

K

N

R

L

V

A

T

T

E

E

E

Q

T

G

E

L

G

T

I

L

M

I

V

P

H

P

P

Y

N

D

Q

H

E

P

P

H

A

I

V

L

I

A

A

G

G

Q

Q

G

G

T

T

A

I

A

A

K

L

E

E

L

V

L

L

E

N

S

Q

T

V

G

P

P

L

L

V

D

D

A

A

L

L

F

V

V

V

G

P

L

V

G

G

G

G

G

G

G

G

M

M

L

L

S

A

G

G

T

I

A

A

L

I

S

T

T

V

R

K

A

A

L

L

S

K

P

P

D

S

C

V

L

K

L

V

Y

Y

G

A

V

A

E
|
E

P

P

E

S

A

N

G
x
A

N

D

D
|
D

G

C

Q

Y

R

Q

S

S

F

K

R

L

S

K

G

G

S

K

I

L

V

M

-

P

H

N

I

L

D

Y

T

P

P

P

K

E

T

T

I

I

A

A

D

D

G
|
G

A

V

Q

K

T
x
S

Q

S

H

-

L

I

G

G

N

L

Y

N

T

T

F

W

P

P

I

I

I

I

R

R

D

D

N

L

V

V

N

D

D

D

I

I

L

F

T

T

V

V

S

T

D

E

A

D

E

E

L

I

V

K

A

C

A

A

M

T

K

Q

F

L

F

V

M

W

Q
x
E

R
|
R

M

M

K
|
K

M

L

V

L

V

I

E

E

P

P

T

T

G

A

C

G

L

V

G

G

L

V

A

A

A

A

L

V

L

L

N

S

E

Q

A

H

G

F

R

Q

F

T

-

V

-

S

-

P

K

E

G

V

Q

K

R

N

V

I

G

C

I

I

I

V

V
x
L

T
x
S

G

G

G

G

N
|
N

V

V

D

D

I

L

E

T

K

S

Y

S

A

I

A

T

L

W

L

V

S

K

E

Q

A

A

active site: K53 (= K53), S74 (= S78), E200 (= E204), A204 (≠ G208), D206 (= D210), G229 (= G232), L302 (≠ V303), S303 (≠ T304)
binding adenosine-5'-triphosphate: S28 (= S28), S29 (≠ R29), I30 (≠ T30), K48 (≠ R48), T49 (≠ A49), Q79 (= Q83), Y111 (= Y115), E266 (≠ Q270), R267 (= R271), K269 (= K273), N306 (= N307)
binding magnesium ion: E200 (= E204), A204 (≠ G208), D206 (= D210)
binding malonate ion: K53 (= K53), S73 (= S77), S74 (= S78), N76 (= N80), H77 (= H81), R125 (= R129), G229 (= G232), S232 (≠ T235)

7nbhAAA structure of human serine racemase in complex with DSiP fragment Z26781964, XChem fragment screen (see paper)
40% identity, 95% coverage: 5:310/321 of query aligns to 5:316/320 of 7nbhAAA

query
sites
7nbhAAA

T

S

Y

F

Q

A

D

D

V

V

I

E

D

K

A

A

A

H

Q

I

R

N

L

I

E

R

G

D

V

S

A

I

H

H

A

L

T

T

P

P

V

V

F

L

T

T

S

S

R

S

T

I

L

L

D

N

A

Q

L

L

T

T

G

G

A

R

Q

N

V

L

F

F

I

F

K

K

C

C

E

E

H

L

L

F

Q

Q

R

K

A

T

G

G

S

S

F

F

K
|
K

F

I

R

R

G

G

A

A

F

L

N

N

A

A

L

V

S

R

Q

S

F

L

N

V

P

P

-

D

-

A

-

L

Q

E

Q

R

R

K

K

P

A

K

G

A

V

V

V

V

A

T

F

H

S

S

S
|
S

G

G

N

N

H

H

A
x
G

Q
|
Q

G

A

I

L

A

T

L

Y

A

A

A

A

Q

K

L

L

L

E

G

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

T

Q

D

T

A

A

P

P

A

D

A

C

K
|
K

V

K

A

L

A

A

T
x
I

R

Q

E

A

Y
|
Y

G

G

A

A

S

S

V

I

V

V

L

Y

Y

C

D

E

R

P

F

S

T

D

E

E

D

S

R

R

E

E

Q

N

I

V

G

A

R

K

N

R

L

V

A

T

T

E

E

E

Q

T

G

E

L

G

T

I

L

M

I

V

P

H

P

P

Y

N

D

Q

H

E

P

P

H

A

I

V

L

I

A

A

G

G

Q

Q

G

G

T

T

A

I

A

A

K

L

E

E

L

V

L

L

E

N

S

Q

T

V

G

P

P

L

L

V

D

D

A

A

L

L

F

V

V

V

G

P

L

V

G

G

G

G

G

G

G

G

M

M

L

L

S

A

G

G

T

I

A

A

L

I

S

T

T

V

R

K

A

A

L

L

S

K

P

P

D

S

C

V

L

K

L

V

Y

Y

G

A

V

A

E
|
E

P

P

E

S

A

N

G
x
A

N

D

D
|
D

G

C

Q

Y

R

Q

S

S

F

K

R

L

S

K

G

G

S

K

I

L

V

M

-

P

H

N

I

L

D

Y

T

P

P

P

K

E

T

T

I

I

A

A

D
|
D

G
|
G

A

V

Q

K

T

S

Q

S

H

-

L

I

G

G

N

L

Y

N

T

T

F

W

P

P

I

I

I

I

R

R

D

D

N

L

V

V

N

D

D

D

I

I

L

F

T

T

V

V

S

T

D

E

A

D

E

E

L

I

V

K

A

C

A

A

M

T

K

Q

F

L

F

V

M

W

Q

E

R

R

M

M

K

K

M

L

V

L

V

I

E

E

P
|
P

T

T

G

A

C

G

L

V

G

G

L

V

A

A

A

A

L

V

L

L

N

S

E

Q

A

H

G

F

R

Q

F

T

-

V

-

S

-

P

K

E

G

V

Q

K

R

N

V

I

G

C

I

I

I

V

V
x
L

T
x
S

G

G

G

G

N
|
N

V
|
V

D
|
D

I

L

active site: K53 (= K53), S81 (= S78), E207 (= E204), A211 (≠ G208), D213 (= D210), G236 (= G232), L309 (≠ V303), S310 (≠ T304)
binding calcium ion: E207 (= E204), A211 (≠ G208), D213 (= D210)
binding N-[(1H-benzimidazol-2-yl)methyl]furan-2-carboxamide: S81 (= S78), G85 (≠ A82), Q86 (= Q83), K111 (= K108), I115 (≠ T112), Y118 (= Y115), D235 (= D231), P281 (= P278), N313 (= N307), V314 (= V308), D315 (= D309)

7nbfAAA structure of human serine racemase in complex with DSiP fragment Z126932614, XChem fragment screen (see paper)
40% identity, 95% coverage: 5:310/321 of query aligns to 5:316/323 of 7nbfAAA

query
sites
7nbfAAA

T

S

Y

F

Q

A

D

D

V

V

I

E

D

K

A

A

A

H

Q

I

R

N

L

I

E

R

G

D

V

S

A

I

H
|
H

A
x
L

T
|
T

P
|
P

V

V

F
x
L

T
|
T

S

S

R

S

T

I

L

L

D

N

A

Q

L

L

T

T

G

G

A

R

Q

N

V

L

F

F

I

F

K

K

C

C

E

E

H

L

L
x
F

Q

Q

R

K

A

T

G

G

S

S

F
|
F

K
|
K

F

I

R

R

G

G

A

A

F

L

N

N

A

A

L

V

S

R

Q

S

F

L

N

V

P

P

-

D

-

A

-

L

Q

E

Q

R

R

K

K

P

A

K

G

A

V

V

V

V

A

T

F

H

S

S

S
|
S

G

G

N
|
N

H

H

A

G

Q

Q

G

A

I

L

A

T

L

Y

A

A

A

A

Q

K

L

L

L

E

G

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

T

Q

D

T

A

A

P

P

A

D

A

C

K

K

V

K

A

L

A

A

T

I

R

Q

E

A

Y

Y

G

G

A

A

S

S

V

I

V

V

L

Y

Y

C

D

E

R

P

F

S

T

D

E

E

D

S

R

R

E

E

Q

N

I

V

G

A

R

K

N

R

L

V

A

T

T

E

E

E

Q

T

G

E

L

G

T

I

L

M

I

V

P

H

P

P

Y

N

D

Q

H

E

P

P

H

A

I

V

L

I

A

A

G

G

Q

Q

G

G

T

T

A

I

A

A

K

L

E

E

L

V

L

L

E

N

S

Q

T

V

G

P

P

L

L

V

D

D

A

A

L

L

F

V

V

V

G

P

L

V

G
|
G

G
|
G

G
|
G

G
|
G

M
|
M

L

L

S

A

G

G

T

I

A

A

L

I

S

T

T

V

R

K

A

A

L

L

S

K

P

P

D

S

C

V

L

K

L

V

Y

Y

G

A

V

A

E
|
E

P

P

E

S

A

N

G
x
A

N

D

D
|
D

G

C

Q

Y

R

Q

S

S

F

K

R

L

S

K

G

G

S

K

I

L

V

M

-

P

H

N

I

L

D

Y

T

P

P

P

K

E

T

T

I

I

A

A

D

D

G
|
G

A
x
V

Q

K

T

S

Q

S

H

-

L

I

G

G

N

L

Y
x
N

T

T

F

W

P

P

I

I

I

I

R

R

D

D

N

L

V

V

N

D

D

D

I

I

L

F

T

T

V

V

S

T

D

E

A

D

E

E

L

I

V

K

A

C

A

A

M

T

K

Q

F

L

F

V

M

W

Q

E

R

R

M

M

K

K

M

L

V

L

V

I

E

E

P

P

T
|
T

G

A

C

G

L

V

G

G

L

V

A

A

A

A

L

V

L

L

N

S

E

Q

A

H

G

F

R

Q

F

T

-

V

-

S

-

P

K

E

G

V

Q

K

R

N

V

I

G

C

I

I

I

V

V
x
L

T
x
S

G
|
G

G

G

N

N

V

V

D

D

I

L

active site: K53 (= K53), S81 (= S78), E207 (= E204), A211 (≠ G208), D213 (= D210), G236 (= G232), L309 (≠ V303), S310 (≠ T304)
binding calcium ion: E207 (= E204), A211 (≠ G208), D213 (= D210)
binding magnesium ion: N244 (≠ Y241)
binding pyridoxal-5'-phosphate: F52 (= F52), K53 (= K53), N83 (= N80), G182 (= G179), G183 (= G180), G184 (= G181), G185 (= G182), M186 (= M183), G236 (= G232), V237 (≠ A233), T282 (= T279), S310 (≠ T304), G311 (= G305)
binding 2-[(methylsulfonyl)methyl]-1H-benzimidazole: H21 (= H21), L22 (≠ A22), T23 (= T23), P24 (= P24), L26 (≠ F26), T27 (= T27), F46 (≠ L46)

Sites not aligning to the query:

binding magnesium ion: 3

7nbdAAA structure of human serine racemase in complex with DSiP fragment Z235449082, XChem fragment screen (see paper)
40% identity, 95% coverage: 5:310/321 of query aligns to 5:316/323 of 7nbdAAA

query
sites
7nbdAAA

T

S

Y

F

Q

A

D

D

V

V

I

E

D

K

A

A

A

H

Q

I

R

N

L

I

E

R

G

D

V

S

A

I

H

H

A

L

T

T

P

P

V

V

F

L

T

T

S

S

R

S

T

I

L

L

D

N

A

Q

L

L

T

T

G

G

A

R

Q

N

V

L

F

F

I

F

K

K

C

C

E

E

H

L

L

F

Q

Q

R

K

A

T

G

G

S

S

F
|
F

K
|
K

F

I

R

R

G

G

A

A

F

L

N

N

A

A

L

V

S

R

Q

S

F

L

N

V

P

P

-

D

-

A

-

L

Q

E

Q

R

R

K

K

P

A

K

G

A

V

V

V

V

A

T

F

H

S

S

S
|
S

G

G

N
|
N

H

H

A

G

Q

Q

G

A

I

L

A

T

L

Y

A

A

A

A

Q

K

L

L

L

E

G

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

T

Q

D

T

A

A

P

P

A

D

A

C

K

K

V

K

A

L

A

A

T

I

R

Q

E

A

Y

Y

G

G

A

A

S

S

V

I

V

V

L

Y

Y

C

D

E

R

P

F

S

T

D

E

E

D

S

R

R

E

E

Q

N

I

V

G

A

R

K

N

R

L

V

A

T

T

E

E

E

Q

T

G

E

L

G

T

I

L

M

I

V

P

H

P

P

Y

N

D

Q

H

E

P

P

H

A

I

V

L

I

A

A

G

G

Q

Q

G

G

T

T

A

I

A

A

K

L

E

E

L

V

L

L

E

N

S

Q

T

V

G

P

P

L

L

V

D

D

A

A

L

L

F

V

V

V

G

P

L

V

G
|
G

G
|
G

G
|
G

G
|
G

M
|
M

L

L

S

A

G

G

T

I

A

A

L

I

S

T

T

V

R

K

A

A

L

L

S

K

P

P

D

S

C

V

L

K

L

V

Y

Y

G

A

V

A

E
|
E

P

P

E

S

A

N

G
x
A

N

D

D
|
D

G

C

Q

Y

R

Q

S

S

F

K

R

L

S

K

G

G

S

K

I

L

V

M

-

P

H

N

I

L

D

Y

T

P

P

P

K

E

T

T

I

I

A

A

D

D

G
|
G

A
x
V

Q

K

T

S

Q

S

H

-

L

I

G

G

N

L

Y
x
N

T

T

F

W

P

P

I

I

I

I

R

R

D

D

N

L

V

V

N

D

D

D

I

I

L

F

T

T

V

V

S

T

D

E

A

D

E

E

L

I

V

K

A

C

A

A

M

T

K

Q

F

L

F

V

M
x
W

Q

E

R

R

M

M

K

K

M

L

V
x
L

V

I

E
|
E

P

P

T
|
T

G

A

C

G

L

V

G

G

L

V

A

A

A

A

L

V

L

L

N

S

E

Q

A

H

G

F

R

Q

F

T

-

V

-

S

-

P

K

E

G

V

Q

K

R

N

V

I

G

C

I

I

I

V

V
x
L

T
x
S

G
|
G

G

G

N

N

V
|
V

D

D

I
x
L

active site: K53 (= K53), S81 (= S78), E207 (= E204), A211 (≠ G208), D213 (= D210), G236 (= G232), L309 (≠ V303), S310 (≠ T304)
binding calcium ion: E207 (= E204), A211 (≠ G208), D213 (= D210)
binding [4-(1H-benzimidazol-1-yl)phenyl]methanol: W272 (≠ M269), L278 (≠ V275), V314 (= V308), L316 (≠ I310)
binding magnesium ion: N244 (≠ Y241)
binding pyridoxal-5'-phosphate: F52 (= F52), K53 (= K53), N83 (= N80), G182 (= G179), G183 (= G180), G184 (= G181), G185 (= G182), M186 (= M183), G236 (= G232), V237 (≠ A233), E280 (= E277), T282 (= T279), S310 (≠ T304), G311 (= G305)

Sites not aligning to the query:

binding magnesium ion: 3

7nbcCCC structure of human serine racemase in complex with DSiP fragment Z2856434779, XChem fragment screen (see paper)
40% identity, 95% coverage: 5:310/321 of query aligns to 5:316/323 of 7nbcCCC

query
sites
7nbcCCC

T

S

Y

F

Q

A

D

D

V

V

I

E

D

K

A

A

A

H

Q

I

R

N

L

I

E

R

G

D

V

S

A

I

H

H

A

L

T

T

P

P

V

V

F

L

T

T

S

S

R

S

T

I

L

L

D

N

A

Q

L

L

T

T

G

G

A

R

Q

N

V

L

F

F

I

F

K

K

C

C

E

E

H

L

L

F

Q

Q

R

K

A

T

G

G

S

S

F
|
F

K
|
K

F

I

R

R

G

G

A

A

F

L

N

N

A

A

L

V

S

R

Q

S

F

L

N

V

P

P

-

D

-

A

-

L

Q

E

Q

R

R

K

K

P

A

K

G

A

V

V

V

V

A
x
T

F
x
H

S

S

S
|
S

G

G

N
|
N

H
|
H

A

G

Q

Q

G

A

I

L

A

T

L

Y

A

A

A

A

Q

K

L

L

L

E

G

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

T

Q

D

T

A

A

P

P

A

D

A

C

K

K

V

K

A

L

A

A

T

I

R

Q

E

A

Y

Y

G

G

A

A

S

S

V

I

V

V

L

Y

Y

C

D

E

R

P

F

S

T

D

E

E

D

S

R

R

E

E

Q

N

I

V

G

A

R

K

N

R

L

V

A

T

T

E

E

E

Q

T

G

E

L

G

T

I

L

M

I
x
V

P
x
H

P
|
P

Y

N

D

Q

H

E

P

P

H

A

I

V

L

I

A

A

G

G

Q

Q

G

G

T

T

A

I

A

A

K

L

E

E

L

V

L

L

E

N

S

Q

T

V

G

P

P

L

L

V

D

D

A

A

L

L

F

V

V

V

G

P

L

V

G
|
G

G
|
G

G
|
G

G
|
G

M
|
M

L

L

S

A

G

G

T

I

A

A

L

I

S

T

T

V

R

K

A

A

L

L

S

K

P

P

D

S

C

V

L

K

L

V

Y

Y

G

A

V

A

E
|
E

P

P

E

S

A

N

G
x
A

N

D

D
|
D

G

C

Q

Y

R

Q

S

S

F

K

R

L

S

K

G

G

S

K

I

L

V

M

-

P

H

N

I

L

D

Y

T

P

P

P

K

E

T

T

I

I

A

A

D

D

G
|
G

A
x
V

Q

K

T

S

Q

S

H

-

L

I

G

G

N

L

Y

N

T

T

F

W

P

P

I

I

I

I

R

R

D

D

N

L

V

V

N

D

D

D

I

I

L

F

T

T

V

V

S

T

D

E

A

D

E

E

L

I

V

K

A

C

A

A

M

T

K

Q

F

L

F

V

M

W

Q

E

R

R

M

M

K

K

M

L

V

L

V

I

E

E

P

P

T
|
T

G

A

C

G

L

V

G

G

L

V

A

A

A

A

L

V

L

L

N

S

E

Q

A

H

G

F

R

Q

F

T

-

V

-

S

-

P

K

E

G

V

Q

K

R

N

V

I

G

C

I

I

I

V

V
x
L

T
x
S

G
|
G

G

G

N

N

V

V

D

D

I

L

active site: K53 (= K53), S81 (= S78), E207 (= E204), A211 (≠ G208), D213 (= D210), G236 (= G232), L309 (≠ V303), S310 (≠ T304)
binding biphenyl-4-ylacetic acid: T78 (≠ A75), H79 (≠ F76), H84 (= H81), V148 (≠ I145), H149 (≠ P146), P150 (= P147)
binding calcium ion: E207 (= E204), A211 (≠ G208), D213 (= D210)
binding pyridoxal-5'-phosphate: F52 (= F52), K53 (= K53), N83 (= N80), G182 (= G179), G183 (= G180), G184 (= G181), G185 (= G182), M186 (= M183), G236 (= G232), V237 (≠ A233), T282 (= T279), S310 (≠ T304), G311 (= G305)

7nbcAAA structure of human serine racemase in complex with DSiP fragment Z2856434779, XChem fragment screen (see paper)
40% identity, 95% coverage: 5:310/321 of query aligns to 5:316/323 of 7nbcAAA

query
sites
7nbcAAA

T

S

Y

F

Q

A

D

D

V

V

I

E

D

K

A

A

A

H

Q

I

R

N

L

I

E

R

G

D

V

S

A

I

H

H

A

L

T

T

P

P

V

V

F

L

T

T

S

S

R

S

T

I

L

L

D

N

A

Q

L

L

T

T

G

G

A

R

Q

N

V

L

F

F

I

F

K

K

C

C

E

E

H

L

L

F

Q

Q

R

K

A

T

G

G

S

S

F
|
F

K
|
K

F

I

R

R

G

G

A

A

F

L

N

N

A

A

L

V

S

R

Q

S

F

L

N

V

P

P

-

D

-

A

-

L

Q

E

Q

R

R

K

K

P

A

K

G

A

V

V

V

V

A

T

F

H

S

S

S
|
S

G

G

N
|
N

H

H

A

G

Q

Q

G

A

I

L

A

T

L

Y

A

A

A

A

Q

K

L

L

L

E

G

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

T

Q

D

T

A

A

P

P

A

D

A

C

K

K

V

K

A

L

A

A

T

I

R

Q

E

A

Y

Y

G

G

A

A

S

S

V

I

V

V

L

Y

Y

C

D

E

R

P

F

S

T

D

E

E

D

S

R

R

E

E

Q

N

I

V

G

A

R

K

N

R

L

V

A

T

T

E

E

E

Q

T

G

E

L

G

T

I

L

M

I

V

P

H

P

P

Y

N

D

Q

H

E

P

P

H

A

I

V

L

I

A

A

G

G

Q

Q

G

G

T

T

A

I

A

A

K

L

E

E

L

V

L

L

E

N

S

Q

T

V

G

P

P

L

L

V

D

D

A

A

L

L

F

V

V

V

G

P

L

V

G
|
G

G
|
G

G
|
G

G
|
G

M
|
M

L

L

S

A

G

G

T

I

A

A

L

I

S

T

T

V

R

K

A

A

L

L

S

K

P

P

D

S

C

V

L

K

L

V

Y

Y

G

A

V

A

E
|
E

P

P

E

S

A

N

G
x
A

N

D

D
|
D

G

C

Q

Y

R

Q

S

S

F

K

R

L

S

K

G

G

S

K

I

L

V

M

-

P

H

N

I

L

D

Y

T

P

P

P

K

E

T

T

I

I

A

A

D

D

G
|
G

A
x
V

Q

K

T

S

Q

S

H

-

L

I

G

G

N

L

Y
x
N

T

T

F

W

P

P

I

I

I

I

R

R

D

D

N

L

V

V

N

D

D

D

I

I

L

F

T

T

V

V

S

T

D

E

A

D

E

E

L

I

V

K

A

C

A

A

M

T

K

Q

F

L

F

V

M

W

Q

E

R

R

M

M

K

K

M

L

V

L

V

I

E

E

P

P

T
|
T

G

A

C

G

L

V

G

G

L

V

A

A

A

A

L

V

L

L

N

S

E

Q

A

H

G

F

R

Q

F

T

-

V

-

S

-

P

K

E

G

V

Q

K

R

N

V

I

G

C

I

I

I

V

V
x
L

T
x
S

G
|
G

G

G

N

N

V

V

D

D

I

L

active site: K53 (= K53), S81 (= S78), E207 (= E204), A211 (≠ G208), D213 (= D210), G236 (= G232), L309 (≠ V303), S310 (≠ T304)
binding calcium ion: E207 (= E204), A211 (≠ G208), D213 (= D210)
binding magnesium ion: N244 (≠ Y241)
binding pyridoxal-5'-phosphate: F52 (= F52), K53 (= K53), N83 (= N80), G182 (= G179), G183 (= G180), G184 (= G181), G185 (= G182), M186 (= M183), G236 (= G232), V237 (≠ A233), T282 (= T279), S310 (≠ T304), G311 (= G305)

Sites not aligning to the query:

binding magnesium ion: 3

7nbgAAA structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen (see paper)
40% identity, 95% coverage: 5:310/321 of query aligns to 5:316/322 of 7nbgAAA

query
sites
7nbgAAA

T

S

Y

F

Q

A

D

D

V

V

I

E

D

K

A

A

A

H

Q

I

R

N

L

I

E

R

G

D

V

S

A

I

H

H

A

L

T

T

P

P

V

V

F

L

T

T

S

S

R

S

T

I

L

L

D

N

A

Q

L

L

T

T

G

G

A

R

Q

N

V

L

F

F

I

F

K

K

C

C

E

E

H

L

L

F

Q

Q

R

K

A

T

G

G

S

S

F
|
F