SitesBLAST

2gn2A Crystal structure of tetrameric biodegradative threonine deaminase (tdcb) from salmonella typhimurium in complex with cmp at 2.5a resolution (hexagonal form) (see paper)
44% identity, 78% coverage: 2:315/403 of query aligns to 7:321/326 of 2gn2A

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2gn2A

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active site: K56 (= K51), A81 (= A76), Q207 (≠ T202), V211 (≠ A206), G213 (≠ A208), G235 (= G230), I308 (≠ L302), S309 (= S303)
binding cytidine-5'-monophosphate: R51 (≠ V46), T52 (= T47), G53 (= G48), A114 (≠ G109), D117 (≠ S112), Y118 (= Y113), N312 (= N306)

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)
37% identity, 77% coverage: 4:312/403 of query aligns to 21:332/339 of Q7XSN8

query
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Q7XSN8

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E219 (≠ T202) mutation to A: Reduces catalytic activity and abolishes the regulatory effect of Mg(2+) addition; when associated with A-225.
D225 (≠ A208) mutation to A: Reduces catalytic activity and abolishes the regulatory effect of Mg(2+) addition; when associated with A-219.

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)
37% identity, 76% coverage: 5:309/403 of query aligns to 7:310/319 of A4F2N8

query
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A4F2N8

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K53 (= K51) mutation to A: Loss of enzymatic activity.

Q9GZT4 Serine racemase; D-serine ammonia-lyase; D-serine dehydratase; L-serine ammonia-lyase; L-serine dehydratase; EC 5.1.1.18; EC 4.3.1.18; EC 4.3.1.17 from Homo sapiens (Human) (see 4 papers)
36% identity, 77% coverage: 1:310/403 of query aligns to 6:320/340 of Q9GZT4

query
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Q9GZT4

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E13 (≠ Q8) binding Mg(2+)
S31 (≠ A26) binding ATP
S32 (≠ P27) binding ATP
I33 (= I28) binding ATP
K51 (≠ V46) binding ATP
T52 (= T47) binding ATP
K56 (= K51) modified: N6-(pyridoxal phosphate)lysine
P69 (vs. gap) binding Ca(2+)
T81 (≠ A73) binding Ca(2+)
N86 (= N78) binding pyridoxal 5'-phosphate
Q89 (= Q81) binding ATP
Y121 (= Y113) binding ATP
D178 (= D170) binding Mg(2+)
G185 (= G177) binding pyridoxal 5'-phosphate
G186 (= G178) binding pyridoxal 5'-phosphate
G187 (= G179) binding pyridoxal 5'-phosphate
G188 (= G180) binding pyridoxal 5'-phosphate
M189 (≠ L181) binding pyridoxal 5'-phosphate
E210 (≠ T202) binding Ca(2+); binding Mg(2+); binding Mn(2+)
A214 (= A206) binding Ca(2+); binding Mg(2+); binding Mn(2+)
D216 (≠ A208) binding Ca(2+); binding Mg(2+); binding Mn(2+)
N247 (≠ V239) binding Ca(2+); binding Mg(2+)
K279 (= K271) binding ATP
S313 (= S303) binding pyridoxal 5'-phosphate
N316 (= N306) binding ATP

7nbgAAA structure of human serine racemase in complex with DSiP fragment Z52314092, XChem fragment screen (see paper)
36% identity, 77% coverage: 2:310/403 of query aligns to 4:317/322 of 7nbgAAA

query
sites
7nbgAAA

I

I

A

S

L

F

Q

A

D

D

I

V

Q

E

Q

K

A

A

A

H

K

I

R

N

I

I

E

R

S

D

V

S

A

I

S

H

K

L

T

T

P

P

Y

V

A

L

Y

T

A

S

P

S

I

I

L

L

S

N

K

Q

K

L

C

T

G

G

Y

R

K

N

I

L

F

F

L

F

K

K

K

C

E

E

N

L

L

F

Q

Q

V

K

T

T

G

G

A

S

F
|
F

K
|
K

L

I

R

R

G

G

A

A

F

L

N

N

K

A

I

V

A

R

K

S

I

L

-

V

-

P

-

D

S

A

Q

L

E

E

E

R

K

K

N

P

R

K

G

A

V

V

A

T

A

H

S

S

A
x
S

G

G

N
|
N

H

H

A
x
G

Q
|
Q

G

A

V

L

A

T

F

Y

S

A

N

K

Y

L

F

E

Q

G

I

I

P

P

A

A

T

Y

I
|
I

V

V

M

V

P

P

E

Q

N

T

T

A

P

P

L

D

T

C

K
|
K

V

K

N

L

G

A

V
x
I

K

Q

S

A

Y
|
Y

G

G

A

A

S

S

V

I

I

V

L

Y

H

C

G

E

S

P

N

S

Y

D

D

E

E

S

A

R

Y

E

A

N

Y

V

A

A

V

K

Q

R

Y

V

A

T

K

E

D

E

H

T

N

E

K

G

T

I

F

M

V

V

H

H

P

P

F

N

A

Q

D

E

Y

P

D

A

V

V

M

I

A

A

G

G

Q

Q

G

G

T

T

I

I

A

A

L

L

E

E

I

V

L

L

D

N

Q

Q

A

V

K

P

D

L

L

V

D

D

A

A

I

L

L

V

V

V

P

P

I

V

G
|
G

L
x
M

I

L

A

A

G

G

I

I

A

A

S

I

A

T

I

V

K

K

Q

A

I

L

N

K

P

P

K

S

I

V

Q

K

I

V

I

Y

G

A

V

A

T
x
E

A

P

A

S

G

N

A
|
A

P

D

A
x
D

M

C

R

Y

E

Q

S

S

F

K

Q

L

L

K

G

G

R

K

P

L

V

M

D

P

S

N

T

L

-

Y

Q

P

V

P

R

E

T

T

I

I

A

A

D

D

G
|
G

I
x
V

A

K

V

-

R

S

D

S

T

I

S

G

P

L

V

N

T

T

L

W

K

P

I

I

L

R

E

D

T

L

V

V

D

D

I

I

V

F

E

T

V

V

D

T

D

E

E

D

E

E

I

I

A

K

D

C

A

A

I

T

L

Q

F

L

L

V

L

W

E

E

N

R

Q

M

K

K

L

L

V

L

V

I

E

E

G

P

A
x
T

G

A

A

G

V

V

G

G

V

V

A

A

L

V

L

L

Y

S

E

Q

K

H

L

F

T

Q

L

T

-

V

-

S

P

P

E

E

N

V

A

K

N

N

I

I

A

C

V

I

V

V

L
|
L

S
|
S

G
|
G

G

G

N

N

I

V

D

D

V

L

T

T

active site: K53 (= K51), S81 (≠ A76), E207 (≠ T202), A211 (= A206), D213 (≠ A208), G236 (= G230), L309 (= L302), S310 (= S303)
binding calcium ion: E207 (≠ T202), A211 (= A206), D213 (≠ A208)
binding pyridoxal-5'-phosphate: F52 (= F50), K53 (= K51), N83 (= N78), G182 (= G177), G183 (= G178), G184 (= G179), G185 (= G180), M186 (≠ L181), G236 (= G230), V237 (≠ I231), T282 (≠ A277), S310 (= S303), G311 (= G304)
binding ~{N}-[2-(2-methylphenyl)ethyl]ethanamide: S81 (≠ A76), G85 (≠ A80), Q86 (= Q81), I101 (= I96), K111 (= K106), I115 (≠ V110), Y118 (= Y113)

7nbfAAA structure of human serine racemase in complex with DSiP fragment Z126932614, XChem fragment screen (see paper)
36% identity, 77% coverage: 2:310/403 of query aligns to 4:317/323 of 7nbfAAA

query
sites
7nbfAAA

I

I

A

S

L

F

Q

A

D

D

I

V

Q

E

Q

K

A

A

A

H

K

I

R

N

I

I

E

R

S

D

V

S

A

I

S
x
H

K
x
L

T
|
T

P
|
P

Y

V

A
x
L

Y
x
T

A

S

P

S

I

I

L

L

S

N

K

Q

K

L

C

T

G

G

Y

R

K

N

I

L

F

F

L

F

K

K

K

C

E

E

N

L

L
x
F

Q

Q

V

K

T

T

G

G

A

S

F
|
F

K
|
K

L

I

R

R

G

G

A

A

F

L

N

N

K

A

I

V

A

R

K

S

I

L

-

V

-

P

-

D

S

A

Q

L

E

E

E

R

K

K

N

P

R

K

G

A

V

V

A

T

A

H

S

S

A
x
S

G

G

N
|
N

H

H

A

G

Q

Q

G

A

V

L

A

T

F

Y

S

A

N

K

Y

L

F

E

Q

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

E

Q

N

T

T

A

P

P

L

D

T

C

K

K

V

K

N

L

G

A

V

I

K

Q

S

A

Y

Y

G

G

A

A

S

S

V

I

I

V

L

Y

H

C

G

E

S

P

N

S

Y

D

D

E

E

S

A

R

Y

E

A

N

Y

V

A

A

V

K

Q

R

Y

V

A

T

K

E

D

E

H

T

N

E

K

G

T

I

F

M

V

V

H

H

P

P

F

N

A

Q

D

E

Y

P

D

A

V

V

M

I

A

A

G

G

Q

Q

G

G

T

T

I

I

A

A

L

L

E

E

I

V

L

L

D

N

Q

Q

A

V

K

P

D

L

L

V

D

D

A

A

I

L

L

V

V

V

P

P

I

V

G
|
G

L
x
M

I

L

A

A

G

G

I

I

A

A

S

I

A

T

I

V

K

K

Q

A

I

L

N

K

P

P

K

S

I

V

Q

K

I

V

I

Y

G

A

V

A

T
x
E

A

P

A

S

G

N

A
|
A

P

D

A
x
D

M

C

R

Y

E

Q

S

S

F

K

Q

L

L

K

G

G

R

K

P

L

V

M

D

P

S

N

T

L

-

Y

Q

P

V

P

R

E

T

T

I

I

A

A

D

D

G
|
G

I
x
V

A

K

V

-

R

S

D

S

T

I

S

G

P

L

V
x
N

T

T

L

W

K

P

I

I

L

R

E

D

T

L

V

V

D

D

I

I

V

F

E

T

V

V

D

T

D

E

E

D

E

E

I

I

A

K

D

C

A

A

I

T

L

Q

F

L

L

V

L

W

E

E

N

R

Q

M

K

K

L

L

V

L

V

I

E

E

G

P

A
x
T

G

A

A

G

V

V

G

G

V

V

A

A

L

V

L

L

Y

S

E

Q

K

H

L

F

T

Q

L

T

-

V

-

S

P

P

E

E

N

V

A

K

N

N

I

I

A

C

V

I

V

V

L
|
L

S
|
S

G
|
G

G

G

N

N

I

V

D

D

V

L

T

T

active site: K53 (= K51), S81 (≠ A76), E207 (≠ T202), A211 (= A206), D213 (≠ A208), G236 (= G230), L309 (= L302), S310 (= S303)
binding calcium ion: E207 (≠ T202), A211 (= A206), D213 (≠ A208)
binding magnesium ion: N244 (≠ V239)
binding pyridoxal-5'-phosphate: F52 (= F50), K53 (= K51), N83 (= N78), G182 (= G177), G183 (= G178), G184 (= G179), G185 (= G180), M186 (≠ L181), G236 (= G230), V237 (≠ I231), T282 (≠ A277), S310 (= S303), G311 (= G304)
binding 2-[(methylsulfonyl)methyl]-1H-benzimidazole: H21 (≠ S19), L22 (≠ K20), T23 (= T21), P24 (= P22), L26 (≠ A24), T27 (≠ Y25), F46 (≠ L44)

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)
36% identity, 77% coverage: 2:310/403 of query aligns to 4:317/323 of 7nbdAAA

query
sites
7nbdAAA

I

I

A

S

L

F

Q

A

D

D

I

V

Q

E

Q

K

A

A

A

H

K

I

R

N

I

I

E

R

S

D

V

S

A

I

S

H

K

L

T

T

P

P

Y

V

A

L

Y

T

A

S

P

S

I

I

L

L

S

N

K

Q

K

L

C

T

G

G

Y

R

K

N

I

L

F

F

L

F

K

K

K

C

E

E

N

L

L

F

Q

Q

V

K

T

T

G

G

A

S

F
|
F

K
|
K

L

I

R

R

G

G

A

A

F

L

N

N

K

A

I

V

A

R

K

S

I

L

-

V

-

P

-

D

S

A

Q

L

E

E

E

R

K

K

N

P

R

K

G

A

V

V

A

T

A

H

S

S

A
x
S

G

G

N
|
N

H

H

A

G

Q

Q

G

A

V

L

A

T

F

Y

S

A

N

K

Y

L

F

E

Q

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

E

Q

N

T

T

A

P

P

L

D

T

C

K

K

V

K

N

L

G

A

V

I

K

Q

S

A

Y

Y

G

G

A

A

S

S

V

I

I

V

L

Y

H

C

G

E

S

P

N

S

Y

D

D

E

E

S

A

R

Y

E

A

N

Y

V

A

A

V

K

Q

R

Y

V

A

T

K

E

D

E

H

T

N

E

K

G

T

I

F

M

V

V

H

H

P

P

F

N

A

Q

D

E

Y

P

D

A

V

V

M

I

A

A

G

G

Q

Q

G

G

T

T

I

I

A

A

L

L

E

E

I

V

L

L

D

N

Q

Q

A

V

K

P

D

L

L

V

D

D

A

A

I

L

L

V

V

V

P

P

I

V

G
|
G

L
x
M

I

L

A

A

G

G

I

I

A

A

S

I

A

T

I

V

K

K

Q

A

I

L

N

K

P

P

K

S

I

V

Q

K

I

V

I

Y

G

A

V

A

T
x
E

A

P

A

S

G

N

A
|
A

P

D

A
x
D

M

C

R

Y

E

Q

S

S

F

K

Q

L

L

K

G

G

R

K

P

L

V

M

D

P

S

N

T

L

-

Y

Q

P

V

P

R

E

T

T

I

I

A

A

D

D

G
|
G

I
x
V

A

K

V

-

R

S

D

S

T

I

S

G

P

L

V
x
N

T

T

L

W

K

P

I

I

L

R

E

D

T

L

V

V

D

D

I

I

V

F

E

T

V

V

D

T

D

E

E

D

E

E

I

I

A

K

D

C

A

A

I

T

L

Q

F

L

L

V

L
x
W

E

E

N

R

Q

M

K

K

L

L

V
x
L

V

I

E
|
E

G

P

A
x
T

G

A

A

G

V

V

G

G

V

V

A

A

L

V

L

L

Y

S

E

Q

K

H

L

F

T

Q

L

T

-

V

-

S

P

P

E

E

N

V

A

K

N

N

I

I

A

C

V

I

V

V

L
|
L

S
|
S

G
|
G

G

G

N

N

I
x
V

D

D

V
x
L

T

T

active site: K53 (= K51), S81 (≠ A76), E207 (≠ T202), A211 (= A206), D213 (≠ A208), G236 (= G230), L309 (= L302), S310 (= S303)
binding calcium ion: E207 (≠ T202), A211 (= A206), D213 (≠ A208)
binding [4-(1H-benzimidazol-1-yl)phenyl]methanol: W272 (≠ L267), L278 (≠ V273), V314 (≠ I307), L316 (≠ V309)
binding magnesium ion: N244 (≠ V239)
binding pyridoxal-5'-phosphate: F52 (= F50), K53 (= K51), N83 (= N78), G182 (= G177), G183 (= G178), G184 (= G179), G185 (= G180), M186 (≠ L181), G236 (= G230), V237 (≠ I231), E280 (= E275), T282 (≠ A277), S310 (= S303), G311 (= G304)

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)
36% identity, 77% coverage: 2:310/403 of query aligns to 4:317/323 of 7nbcCCC

query
sites
7nbcCCC

I

I

A

S

L

F

Q

A

D

D

I

V

Q

E

Q

K

A

A

A

H

K

I

R

N

I

I

E

R

S

D

V

S

A

I

S

H

K

L

T

T

P

P

Y

V

A

L

Y

T

A

S

P

S

I

I

L

L

S

N

K

Q

K

L

C

T

G

G

Y

R

K

N

I

L

F

F

L

F

K

K

K

C

E

E

N

L

L

F

Q

Q

V

K

T

T

G

G

A

S

F
|
F

K
|
K

L

I

R

R

G

G

A

A

F

L

N

N

K

A

I

V

A

R

K

S

I

L

-

V

-

P

-

D

S

A

Q

L

E

E

E

R

K

K

N

P

R

K

G

A

V

V

A
x
T

A
x
H

S

S

A
x
S

G

G

N
|
N

H
|
H

A

G

Q

Q

G

A

V

L

A

T

F

Y

S

A

N

K

Y

L

F

E

Q

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

E

Q

N

T

T

A

P

P

L

D

T

C

K

K

V

K

N

L

G

A

V

I

K

Q

S

A

Y

Y

G

G

A

A

S

S

V

I

I

V

L

Y

H

C

G

E

S

P

N

S

Y

D

D

E

E

S

A

R

Y

E

A

N

Y

V

A

A

V

K

Q

R

Y

V

A

T

K

E

D

E

H

T

N

E

K

G

T

I

F

M

V
|
V

H
|
H

P
|
P

F

N

A

Q

D

E

Y

P

D

A

V

V

M

I

A

A

G

G

Q

Q

G

G

T

T

I

I

A

A

L

L

E

E

I

V

L

L

D

N

Q

Q

A

V

K

P

D

L

L

V

D

D

A

A

I

L

L

V

V

V

P

P

I

V

G
|
G

L
x
M

I

L

A

A

G

G

I

I

A

A

S

I

A

T

I

V

K

K

Q

A

I

L

N

K

P

P

K

S

I

V

Q

K

I

V

I

Y

G

A

V

A

T
x
E

A

P

A

S

G

N

A
|
A

P

D

A
x
D

M

C

R

Y

E

Q

S

S

F

K

Q

L

L

K

G

G

R

K

P

L

V

M

D

P

S

N

T

L

-

Y

Q

P

V

P

R

E

T

T

I

I

A

A

D

D

G
|
G

I
x
V

A

K

V

-

R

S

D

S

T

I

S

G

P

L

V

N

T

T

L

W

K

P

I

I

L

R

E

D

T

L

V

V

D

D

I

I

V

F

E

T

V

V

D

T

D

E

E

D

E

E

I

I

A

K

D

C

A

A

I

T

L

Q

F

L

L

V

L

W

E

E

N

R

Q

M

K

K

L

L

V

L

V

I

E

E

G

P

A
x
T

G

A

A

G

V

V

G

G

V

V

A

A

L

V

L

L

Y

S

E

Q

K

H

L

F

T

Q

L

T

-

V

-

S

P

P

E

E

N

V

A

K

N

N

I

I

A

C

V

I

V

V

L
|
L

S
|
S

G
|
G

G

G

N

N

I

V

D

D

V

L

T

T

active site: K53 (= K51), S81 (≠ A76), E207 (≠ T202), A211 (= A206), D213 (≠ A208), G236 (= G230), L309 (= L302), S310 (= S303)
binding biphenyl-4-ylacetic acid: T78 (≠ A73), H79 (≠ A74), H84 (= H79), V148 (= V143), H149 (= H144), P150 (= P145)
binding calcium ion: E207 (≠ T202), A211 (= A206), D213 (≠ A208)
binding pyridoxal-5'-phosphate: F52 (= F50), K53 (= K51), N83 (= N78), G182 (= G177), G183 (= G178), G184 (= G179), G185 (= G180), M186 (≠ L181), G236 (= G230), V237 (≠ I231), T282 (≠ A277), S310 (= S303), G311 (= G304)

7nbcAAA structure of human serine racemase in complex with DSiP fragment Z2856434779, XChem fragment screen (see paper)
36% identity, 77% coverage: 2:310/403 of query aligns to 4:317/323 of 7nbcAAA

query
sites
7nbcAAA

I

I

A

S

L

F

Q

A

D

D

I

V

Q

E

Q

K

A

A

A

H

K

I

R

N

I

I

E

R

S

D

V

S

A

I

S

H

K

L

T

T

P

P

Y

V

A

L

Y

T

A

S

P

S

I

I

L

L

S

N

K

Q

K

L

C

T

G

G

Y

R

K

N

I

L

F

F

L

F

K

K

K

C

E

E

N

L

L

F

Q

Q

V

K

T

T

G

G

A

S

F
|
F

K
|
K

L

I

R

R

G

G

A

A

F

L

N

N

K

A

I

V

A

R

K

S

I

L

-

V

-

P

-

D

S

A

Q

L

E

E

E

R

K

K

N

P

R

K

G

A

V

V

A

T

A

H

S

S

A
x
S

G

G

N
|
N

H

H

A

G

Q

Q

G

A

V

L

A

T

F

Y

S

A

N

K

Y

L

F

E

Q

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

E

Q

N

T

T

A

P

P

L

D

T

C

K

K

V

K

N

L

G

A

V

I

K

Q

S

A

Y

Y

G

G

A

A

S

S

V

I

I

V

L

Y

H

C

G

E

S

P

N

S

Y

D

D

E

E

S

A

R

Y

E

A

N

Y

V

A

A

V

K

Q

R

Y

V

A

T

K

E

D

E

H

T

N

E

K

G

T

I

F

M

V

V

H

H

P

P

F

N

A

Q

D

E

Y

P

D

A

V

V

M

I

A

A

G

G

Q

Q

G

G

T

T

I

I

A

A

L

L

E

E

I

V

L

L

D

N

Q

Q

A

V

K

P

D

L

L

V

D

D

A

A

I

L

L

V

V

V

P

P

I

V

G
|
G

L
x
M

I

L

A

A

G

G

I

I

A

A

S

I

A

T

I

V

K

K

Q

A

I

L

N

K

P

P

K

S

I

V

Q

K

I

V

I

Y

G

A

V

A

T
x
E

A

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A

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G

N

A
|
A

P

D

A
x
D

M

C

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Y

E

Q

S

S

F

K

Q

L

L

K

G

G

R

K

P

L

V

M

D

P

S

N

T

L

-

Y

Q

P

V

P

R

E

T

T

I

I

A

A

D

D

G
|
G

I
x
V

A

K

V

-

R

S

D

S

T

I

S

G

P

L

V
x
N

T

T

L

W

K

P

I

I

L

R

E

D

T

L

V

V

D

D

I

I

V

F

E

T

V

V

D

T

D

E

E

D

E

E

I

I

A

K

D

C

A

A

I

T

L

Q

F

L

L

V

L

W

E

E

N

R

Q

M

K

K

L

L

V

L

V

I

E

E

G

P

A
x
T

G

A

A

G

V

V

G

G

V

V

A

A

L

V

L

L

Y

S

E

Q

K

H

L

F

T

Q

L

T

-

V

-

S

P

P

E

E

N

V

A

K

N

N

I

I

A

C

V

I

V

V

L
|
L

S
|
S

G
|
G

G

G

N

N

I

V

D

D

V

L

T

T

active site: K53 (= K51), S81 (≠ A76), E207 (≠ T202), A211 (= A206), D213 (≠ A208), G236 (= G230), L309 (= L302), S310 (= S303)
binding calcium ion: E207 (≠ T202), A211 (= A206), D213 (≠ A208)
binding magnesium ion: N244 (≠ V239)
binding pyridoxal-5'-phosphate: F52 (= F50), K53 (= K51), N83 (= N78), G182 (= G177), G183 (= G178), G184 (= G179), G185 (= G180), M186 (≠ L181), G236 (= G230), V237 (≠ I231), T282 (≠ A277), S310 (= S303), G311 (= G304)

Sites not aligning to the query:

binding magnesium ion: 3

7nbhAAA structure of human serine racemase in complex with DSiP fragment Z26781964, XChem fragment screen (see paper)
36% identity, 77% coverage: 2:310/403 of query aligns to 4:317/320 of 7nbhAAA

query
sites
7nbhAAA

I

I

A

S

L

F

Q

A

D

D

I

V

Q

E

Q

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A

A

A

H

K

I

R

N

I

I

E

R

S

D

V

S

A

I

S

H

K

L

T

T

P

P

Y

V

A

L

Y

T

A

S

P

S

I

I

L

L

S

N

K

Q

K

L

C

T

G

G

Y

R

K

N

I

L

F

F

L

F

K

K

K

C

E

E

N

L

L

F

Q

Q

V

K

T

T

G

G

A

S

F

F

K
|
K

L

I

R

R

G

G

A

A

F

L

N

N

K

A

I

V

A

R

K

S

I

L

-

V

-

P

-

D

S

A

Q

L

E

E

E

R

K

K

N

P

R

K

G

A

V

V

A

T

A

H

S

S

A
x
S

G

G

N

N

H

H

A
x
G

Q
|
Q

G

A

V

L

A

T

F

Y

S

A

N

K

Y

L

F

E

Q

G

I

I

P

P

A

A

T

Y

I

I

V

V

M

V

P

P

E

Q

N

T

T

A

P

P

L

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C

K
|
K

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K

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L

G

A

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x
I

K

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Y
|
Y

G

G

A

A

S

S

V

I

I

V

L

Y

H

C

G

E

S

P

N

S

Y

D

D

E

E

S

A

R

Y

E

A

N

Y

V

A

A

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Q

R

Y

V

A

T

K

E

D

E

H

T

N

E

K

G

T

I

F

M

V

V

H

H

P

P

F

N

A

Q

D

E

Y

P

D

A

V

V

M

I

A

A

G

G

Q

Q

G

G

T

T

I

I

A

A

L

L

E

E

I

V

L

L

D

N

Q

Q

A

V

K

P

D

L

L

V

D

D

A

A

I

L

L

V

V

V

P

P

I

V

G

G

L

M

I

L

A

A

G

G

I

I

A

A

S

I

A

T

I

V

K

K

Q

A

I

L

N

K

P

P

K

S

I

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Q

K

I

V

I

Y

G

A

V

A

T
x
E

A

P

A

S

G

N

A
|
A

P

D

A
x
D

M

C

R

Y

E

Q

S

S

F

K

Q

L

L

K

G

G

R

K

P

L

V

M

D

P

S

N

T

L

-

Y

Q

P

V

P

R

E

T

T

I

I

A

A

D
|
D

G
|
G

I

V

A

K

V

-

R

S

D

S

T

I

S

G

P

L

V

N

T

T

L

W

K

P

I

I

L

R

E

D

T

L

V

V

D

D

I

I

V

F

E

T

V

V

D

T

D

E

E

D

E

E

I

I

A

K

D

C

A

A

I

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Q