SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_039103118.1 NCBI__GCF_000807275.1:WP_039103118.1 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)

P0A9T0 D-3-phosphoglycerate dehydrogenase; PGDH; 2-oxoglutarate reductase; EC 1.1.1.95; EC 1.1.1.399 from Escherichia coli (strain K12) (see 2 papers)
68% identity, 100% coverage: 1:413/413 of query aligns to 1:410/410 of P0A9T0

query
sites
P0A9T0

M
|
M

V

A

V

K

Q

V

T

S

L

L

T

E

K

K

D

D

E

K

N

I

K

K

F

F

L

L

L

L

L

V

E

E

G

G

V

V

H

H

P

Q

S

K

A

A

I

L

E

E

I

S

L

L

K

R

N

A

A

A

G

G

Y

Y

S

T

N

N

I

I

E

E

Y

F

Y

H

K

K

G

G

A

A

L

L

T

D

E

D

Q

E

E

Q

L

L

K

K

E

E

A

S

I

I

K

R

D

D

A

A

R

H

F

F

I

I

G

G

V

L

R

R

S

S

R

R

T

T

Q

H

L

L

T

T

E

E

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

V

G

A

I

I

G

G

C

C

F

F

C

C

I

I

G

G

T

T

N

N

Q

Q

V

V

N

D

L

L

S

D

A

A

A

A

S

A

K

K

K

R

G

G

I

I

P

P

V

V

F

F

N

N

A

A

P

P

F

F

S

S

N

N

T

T

R

R

S

S

V

V

A

A

E

E

L

L

V

V

L

I

A

G

E

E

I

L

I

L

L

L

L

L

L

L

R

R

R

G

V

V

P

P

E

E

A

A

N

N

A

A

Q

K

A

A

H

H

L

R

G

G

K

V

W

W

N

N

K

K

I

L

A

A

I

A

G

G

S

S

H

F

E

E

T

A

R

R

G

G

K

K

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K

L

L

G

G

I

I

I

I

G

G

Y

Y

G

G

H
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H

I
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I

G

G

S

T

Q

Q

L

L

S

G

V

I

L

L

A

A

E

E

S

S

L

L

G

G

M

M

K

Y

V

V

F

Y

F

F

Y

Y

D
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D

I

I

E

E

T

N

K

K

L

L

P

P

L

L

G

G

N

N

A

A

K

T

Q

Q

M

V

P

Q

S

H

L

L

A

S

A

D

L

L

F

L

A

N

E

M

S

S

D

D

V

V

I

V

S

S

L

L

H

H

V

V

P

P

E

E

N

N

A

P

T

S

T

T

I

K

N

N

M

M

I

M

S

G

K

A

K

K

E

E

L

I

E

S

M

L

M

M

K

K

P

P

R

G

S

S

I

L

L

L

V

I

N

N

A
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A

S
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S

R
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R

G

G

K

T

V

V

V

V

D

D

I

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E

P

A

A

L

L

A

C

N

D

A

A

L

L

A

A

D

S

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K

H

H

I

L

A

A

G

G

A

A

A

A

I

I

D
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D

V

V

F

F

P

P

S

T

E

E

P

P

A

A

S

T

N

N

S

S

E

D

P

P

F

F

T

T

S

S

P

P

L

L

C

C

Q

E

F

F

D

D

N

N

V

V

I

L

I

L

T

T

P

P

H
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H

I
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I

G
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G

G
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G

S

S

T

T

I

Q

E

E

A

A

Q

Q

E

E

N

N

I

I

G

G

I

L

E

E

V

V

A

A

T

G

K

K

L

L

A

I

K

K

Y

Y

S

S

D

D

T

N

G

G

S

S

T

T

L

L

S

S

A

A

V

V

N

N

F

F

P

P

E

E

V

V

S

S

L

L

P

P

I

L

P

-

S

-

K

H

G

G

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G

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R

R

R

F

L

I

M

N

H

I

I

H

H

K

E

N

N

Q

R

P

P

G

G

V

V

L

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T

A

A

I

L

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N

N

K

L

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F

A

A

S

E

R

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G

G

L

V

N

N

I

I

A

A

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A

Q

Q

Y

Y

L

L

Q

Q

T

T

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S

A

A

E

Q

V

M

G

G

Y

Y

V

V

V

V

I

I

D

D

I

I

D

E

S

A

V

-

D

D

L

E

K

D

Q

V

S

A

E

E

Q

K

I

A

L

L

A

Q

E

A

L

M

K

K

K

A

V

I

D

P

G

G

T

T

I

I

K

R

A

A

R

R

L

L

L

L

F

Y

M1 (= M1) modified: Initiator methionine, Removed
HI 161:162 (= HI 161:162) binding NAD(+)
D181 (= D181) binding NAD(+)
ASR 238:240 (= ASR 238:240) binding NAD(+)
D264 (= D264) binding NAD(+)
HIGG 292:295 (= HIGG 292:295) binding NAD(+)

1ybaA The active form of phosphoglycerate dehydrogenase (see paper)
68% identity, 99% coverage: 5:413/413 of query aligns to 1:406/406 of 1ybaA

query
sites
1ybaA

T

S

L

L

T

E

K

K

D

D

E

K

N

I

K

K

F

F

L

L

L

L

L

V

E

E

G

G

V

V

H

H

P

Q

S

K

A

A

I

L

E

E

I

S

L

L

K

R

N

A

A

A

G

G

Y

Y

S

T

N

N

I

I

E

E

Y

F

Y

H

K

K

G

G

A

A

L

L

T

D

E

D

Q

E

E

Q

L

L

K

K

E

E

A

S

I

I

K

R

D

D

A

A

R

H

F

F

I

I

G

G

V

L

R
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R

S
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S

R

R

T

T

Q

H

L

L

T

T

E

E

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

V

G

A

I

I

G

G

C

C

F

F

C
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C

I
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I

G
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G

T

T

N
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N

Q

Q

V

V

N

D

L

L

S

D

A

A

A

A

S

A

K

K

K

R

G

G

I

I

P

P

V

V

F

F

N

N

A

A

P

P

F
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F

S

S

N
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N

T

T

R

R

S

S

V
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V

A

A

E

E

L

L

V

V

L

I

A

G

E

E

I

L

I

L

L

L

L

L

L

L

R

R

R

G

V

V

P

P

E

E

A

A

N

N

A

A

Q

K

A

A

H

H

L

R

G

G

K

V

W

W

N

N

K

K

I

L

A

A

I

A

G

G

S

S

H

F

E

E

T

A

R

R

G

G

K

K

S

K

L

L

G

G

I

I

I

I

G
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G

Y

Y

G
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G

H
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H

I
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I

G

G

S

T

Q

Q

L

L

S

G

V

I

L

L

A

A

E

E

S

S

L

L

G

G

M

M

K

Y

V

V

F

Y

F

F

Y
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Y

D
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D

I
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I

E

E

T

N

K
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K

L

L

P

P

L

L

G

G

N

N

A

A

K

T

Q

Q

M

V

P

Q

S

H

L

L

A

S

A

D

L

L

F

L

A

N

E

M

S

S

D

D

V

V

I

V

S

S

L

L

H
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H

V
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V

P
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P

E

E

N

N

A

P

T

S

T

T

I

K

N

N

M

M

I

M

S

G

K

A

K

K

E

E

L

I

E

S

M

L

M

M

K

K

P

P

R

G

S

S

I

L

L

L

V

I

N

N

A
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A

S
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S

R
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R

G

G

K

T

V

V

V

V

D

D

I

I

E

P

A

A

L

L

A

C

N

D

A

A

L

L

A

A

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K

H

H

I

L

A

A

G

G

A

A

A

A

I

I

D
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D

V

V

F

F

P

P

S

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E
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E

P

P

A

A

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T

N

N

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S

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D

P

P

F

F

T

T

S

S

P

P

L

L

C

C

Q

E

F

F

D

D

N

N

V

V

I

L

I

L

T

T

P

P

H
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H

I

I

G
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G

G

G

S

S

T

T

I

Q

E

E

A

A

Q

Q

E

E

N

N

I

I

G

G

I

L

E

E

V

V

A

A

T

G

K

K

L

L

A

I

K

K

Y

Y

S

S

D

D

T

N

G

G

S

S

T

T

L

L

S

S

A

A

V

V

N

N

F

F

P

P

E

E

V

V

S

S

L

L

P

P

I

L

P

-

S

-

K

H

G

G

V

G

S

R

R

R

F

L

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M

N

H

I

I

H

H

K

E

N

N

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G

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V

L

L

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A

A

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N

N

K

L

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A

A

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R

Q

G

G

L

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N

N

I

I

A

A

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A

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Y

L

L

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A

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M

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G

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Y

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V

V

V

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I

D

D

I

I

D

E

S

A

V

-

D

D

L

E

K

D

Q

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S

A

E

E

Q

K

I

A

L

L

A

Q

E

A

L

M

K

K

K

A

V

I

D

P

G

G

T

T

I

I

K

R

A

A

R

R

L

L

L

L

F

Y

active site: N104 (= N108), R236 (= R240), D260 (= D264), E265 (= E269), H288 (= H292)
binding 2-oxoglutaric acid: R56 (= R60), S57 (= S61), C79 (= C83), I80 (= I84)
binding nicotinamide-adenine-dinucleotide: I80 (= I84), F102 (= F106), V108 (= V112), G154 (= G158), G156 (= G160), H157 (= H161), I158 (= I162), Y176 (= Y180), D177 (= D181), I178 (= I182), K181 (= K185), H206 (= H210), V207 (= V211), P208 (= P212), A234 (= A238), S235 (= S239), R236 (= R240), H288 (= H292), G290 (= G294)
binding phosphate ion: G81 (= G85), N83 (= N87)

1psdA The allosteric ligand site in the vmax-type cooperative enzyme phosphoglycerate dehydrogenase (see paper)
69% identity, 98% coverage: 8:413/413 of query aligns to 2:404/404 of 1psdA

query
sites
1psdA

K

K

D

D

E

K

N

I

K

K

F

F

L

L

L

L

L

V

E

E

G

G

V

V

H

H

P

Q

S

K

A

A

I

L

E

E

I

S

L

L

K

R

N

A

A

A

G

G

Y

Y

S

T

N

N

I

I

E

E

Y

F

Y

H

K

K

G

G

A

A

L

L

T

D

E

D

Q

E

E

Q

L

L

K

K

E

E

A

S

I

I

K

R

D

D

A

A

R

H

F

F

I

I

G

G

V

L

R

R

S

S

R

R

T

T

Q

H

L

L

T

T

E

E

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

V

G

A

I

I

G

G

C

C

F

F

C

C

I

I

G

G

T

T

N

N

Q

Q

V

V

N

D

L

L

S

D

A

A

A

A

S

A

K

K

K

R

G

G

I

I

P

P

V

V

F

F

N

N

A

A

P

P

F

F

S

S

N
|
N

T

T

R

R

S

S

V

V

A

A

E

E

L

L

V

V

L

I

A

G

E

E

I

L

I

L

L

L

L

L

L

L

R

R

R

G

V

V

P

P

E

E

A

A

N

N

A

A

Q

K

A

A

H

H

L

R

G

G

K

V

W

W

N

N

K

K

I

L

A

A

I

A

G

G

S

S

H

F

E

E

T

A

R

R

G

G

K

K

S

K

L

L

G

G

I

I

I

I

G

G

Y

Y

G

G

H
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H

I
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I

G

G

S

T

Q

Q

L

L

S

G

V

I

L

L

A

A

E

E

S

S

L

L

G

G

M

M

K

Y

V

V

F

Y

F

F

Y

Y

D
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D

I
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I

E

E

T

N

K
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K

L

L

P

P

L

L

G

G

N

N

A

A

K

T

Q

Q

M

V

P

Q

S

H

L

L

A

S

A

D

L

L

F

L

A

N

E

M

S

S

D

D

V

V

I

V

S

S

L

L

H
|
H

V
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V

P
|
P

E

E

N

N

A

P

T

S

T

T

I

K

N

N

M

M

I

M

S

G

K

A

K

K

E

E

L

I

E

S

M

L

M

M

K

K

P

P

R

G

S

S

I

L

L

L

V

I

N

N

A
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A

S
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S

R
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R

G

G

K

T

V

V

V

V

D

D

I

I

E

P

A

A

L

L

A

C

N

D

A

A

L

L

A

A

D

S

K

K

H

H

I

L

A

A

G

G

A

A

A

A

I

I

D
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D

V

V

F

F

P

P

S

T

E
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E

P

P

A

A

S

T

N

N

S

S

E

D

P

P

F

F

T

T

S

S

P

P

L

L

C

C

Q

E

F

F

D

D

N

N

V

V

I

L

I

L

T

T

P

P

H
|
H

I

I

G

G

G

G

S

S

T

T

I

Q

E

E

A

A

Q

Q

E

E

N

N

I

I

G

G

I

L

E

E

V

V

A

A

T

G

K

K

L

L

A

I

K

K

Y

Y

S

S

D

D

T

N

G

G

S

S

T

T

L

L

S

S

A

A

V

V

N

N

F

F

P

P

E

E

V

V

S

S

L

L

P

P

I

L

P

-

S

-

K

H

G

G

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G

S

R

R

R

F

L

I

M

N

H

I

I

H
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H

K

E

N
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N

Q
x
R

P

P

G

G

V
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V

L

L

N

T

A

A

I

L

N

N

N

K

L

I

L

F

A

A

S

E

R

Q

G

G

L

V

N

N

I

I

A

A

G

A

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Q

Y

Y

L

L

Q

Q

T

T

S

S

A

A

E

Q

V

M

G

G

Y

Y

V

V

V

V

I

I

D

D

I

I

D

E

S

A

V

-

D

D

L

E

K

D

Q

V

S

A

E

E

Q

K

I

A

L

L

A

Q

E

A

L

M

K

K

K

A

V

I

D

P

G

G

T

T

I

I

K

R

A

A

R

R

L

L

L

L

F

Y

active site: N102 (= N108), R234 (= R240), D258 (= D264), E263 (= E269), H286 (= H292)
binding nicotinamide-adenine-dinucleotide: N102 (= N108), H155 (= H161), I156 (= I162), D175 (= D181), I176 (= I182), K179 (= K185), H204 (= H210), V205 (= V211), P206 (= P212), A232 (= A238), S233 (= S239), R234 (= R240), H286 (= H292)
binding serine: H338 (= H346), N340 (= N348), R341 (≠ Q349), V344 (= V352)

2p9eA Crystal structure of g336v mutant of e.Coli phosphoglycerate dehydrogenase (see paper)
68% identity, 99% coverage: 5:413/413 of query aligns to 1:406/406 of 2p9eA

query
sites
2p9eA

T

S

L

L

T

E

K

K

D

D

E

K

N

I

K

K

F

F

L

L

L

L

L

V

E

E

G

G

V

V

H

H

P

Q

S

K

A

A

I

L

E

E

I

S

L

L

K

R

N

A

A

A

G

G

Y

Y

S

T

N

N

I

I

E

E

Y

F

Y

H

K

K

G

G

A

A

L

L

T

D

E

D

Q

E

E

Q

L

L

K

K

E

E

A

S

I

I

K

R

D

D

A

A

R

H

F

F

I

I

G

G

V

L

R

R

S

S

R

R

T

T

Q

H

L

L

T

T

E

E

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

V

G

A

I

I

G

G

C

A

F

F

C

A

I

I

G

G

T

T

N

N

Q

Q

V

V

N

D

L

L

S

D

A

A

A

A

S

A

K

K

K

R

G

G

I

I

P

P

V

V

F

F

N

N

A

A

P

P

F

F

S

S

N
|
N

T

T

R

R

S

S

V

V

A

A

E

E

L

L

V

V

L

I

A

G

E

E

I

L

I

L

L

L

L

L

L

L

R

R

R

G

V

V

P

P

E

E

A

A

N

N

A

A

Q

K

A

A

H

H

L

R

G

G

K

V

W

W

N

N

K

K

I

L

A

A

I

A

G

G

S

S

H

F

E

E

T

A

R

R

G

G

K

K

S

K

L

L

G

G

I

I

I

I

G

G

Y

Y

G
|
G

H
|
H

I
|
I

G

G

S

T

Q

Q

L

L

S

G

V

I

L

L

A

A

E

E

S

S

L

L

G

G

M

M

K

Y

V

V

F

Y

F

F

Y
|
Y

D
|
D

I
|
I

E

E

T

N

K

K

L

L

P

P

L

L

G

G

N

N

A

A

K

T

Q

Q

M

V

P

Q

S

H

L

L

A

S

A

D

L

L

F

L

A

N

E

M

S

S

D

D

V

V

I

V

S

S

L

L

H
|
H

V
|
V

P
|
P

E

E

N

N

A

P

T
x
S

T

T

I

K

N

N

M

M

I

M

S

G

K

A

K

K

E

E

L

I

E

S

M

L

M

M

K

K

P

P

R

G

S

S

I

L

L

L

V

I

N

N

A
|
A

S
|
S

R
|
R

G

G

K

T

V

V

V

V

D

D

I

I

E

P

A

A

L

L

A

A

N

D

A

A

L

L

A

A

D

S

K

K

H

H

I

L

A

A

G

G

A

A

A

A

I

I

D
|
D

V

V

F

F

P

P

S

T

E
|
E

P

P

A

A

S

T

N

N

S

S

E

D

P

P

F

F

T

T

S

S

P

P

L

L

C

A

Q

E

F

F

D

D

N

N

V

V

I

L

I

L

T

T

P

P

H
|
H

I

I

G
|
G

G

G

S

S

T

T

I

Q

E

E

A

A

Q

Q

E

E

N

N

I

I

G

G

I

L

E

E

V

V

A

A

T

G

K

K

L

L

A

I

K

K

Y

Y

S

S

D

D

T

N

G

G

S

S

T

T

L

L

S

S

A

A

V

V

N

N

F

F

P

P

E

E

V

V

S

S

L

L

P

P

I

L

P

H

S

V

K

G

G

-

V

-

S

R

R

R

F

L

I

M

N

H

I

I

H

H

K

E

N

N

Q

R

P

P

G

G

V

V

L

L

N

T

A

A

I

L

N

N

N

K

L

I

L

F

A

A

S

E

R

Q

G

G

L

V

N

N

I

I

A

A

G

A

Q

Q

Y

Y

L

L

Q

Q

T

T

S

S

A

A

E

Q

V

M

G

G

Y

Y

V

V

V

V

I

I

D

D

I

I

D

E

S

A

V

-

D

D

L

E

K

D

Q

V

S

A

E

E

Q

K

I

A

L

L

A

Q

E

A

L

M

K

K

K

A

V

I

D

P

G

G

T

T

I

I

K

R

A

A

R

R

L

L

L

L

F

Y

active site: N104 (= N108), R236 (= R240), D260 (= D264), E265 (= E269), H288 (= H292)
binding 1,4-dihydronicotinamide adenine dinucleotide: G156 (= G160), H157 (= H161), I158 (= I162), Y176 (= Y180), D177 (= D181), I178 (= I182), H206 (= H210), V207 (= V211), P208 (= P212), S212 (≠ T216), A234 (= A238), S235 (= S239), R236 (= R240), H288 (= H292), G290 (= G294)

1sc6D Crystal structure of w139g d-3-phosphoglycerate dehydrogenase complexed with NAD+ (see paper)
65% identity, 98% coverage: 8:413/413 of query aligns to 2:384/384 of 1sc6D

query
sites
1sc6D

K

K

D

D

E

K

N

I

K

K

F

F

L

L

L

L

L

V

E

E

G

G

V

V

H

H

P

Q

S

K

A

A

I

L

E

E

I

S

L

L

K

R

N

A

A

A

G

G

Y

Y

S

T

N

N

I

I

E

E

Y

F

Y

H

K

K

G

G

A

A

L

L

T

D

E

D

Q

E

E

Q

L

L

K

K

E

E

A

S

I

I

K

R

D

D

A

A

R

H

F

F

I

I

G

G

V

L

R

R

S

S

R

R

T

T

Q

H

L

L

T

T

E

E

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

V

G

A

I

I

G

G

C

A

F

F

C

A

I

I

G

G

T

T

N

N

Q

Q

V

V

N

D

L

L

S

D

A

A

A

A

S

A

K

K

K

R

G

G

I

I

P

P

V

V

F

F

N

N

A

A

P
|
P

F
|
F

S

S

N
|
N

T
|
T

R

R

S

S

V

V

A

A

E

E

L

L

V

V

L

I

A

G

E

E

I

L

I

L

L

L

L

L

L

L

R

R

R

G

V

V

P

P

E

E

A

A

N

N

A

A

Q

K

A

A

H

H

L

R

G

G

K

-

W

-

N

-

K

-

I

-

A

-

I

V

G

G

S

S

H

F

E

E

T

A

R

R

G

G

K

K

S

K

L

L

G

G

I

I

I

I

G
|
G

Y

Y

G
|
G

H
|
H

I
|
I

G

G

S

T

Q

Q

L

L

S

G

V

I

L

L

A

A

E

E

S

S

L

L

G

G

M

M

K

Y

V

V

F

Y

F

F

Y
|
Y

D
|
D

I
|
I

E

E

T

N

K

K

L

L

P

P

L

L

G

G

N

N

A

A

K

T

Q

Q

M

V

P

Q

S

H

L

L

A

S

A

D

L

L

F

L

A

N

E

M

S

S

D

D

V

V

I

V

S

S

L

L

H
|
H

V
|
V

P
|
P

E

E

N

N

A

P

T
x
S

T
|
T

I

K

N

N

M

M

I

M

S

G

K

A

K

K

E

E

L

I

E

S

M

L

M

M

K

K

P

P

R

G

S

S

I

L

L

L

V

I

N

N

A

A

S
|
S

R
|
R

G

G

K

T

V

V

V

V

D

D

I

I

E

P

A

A

L

L

A

A

N

D

A

A

L

L

A

A

D

S

K

K

H

H

I

L

A

A

G

G

A

A

A

A

I

I

D
|
D

V

V

F

-

P

-

S

-

E

-

P

-

A

-

S

-

N

-

S

-

E

-

P

P

F

F

T

T

S

S

P

P

L

L

C

A

Q

E

F

F

D

D

N

N

V

V

I

L

I

L

T

T

P

P

H

-

I

-

G

-

G

-

S

S

T

T

I

Q

E

E

A

A

Q

Q

E

E

N

N

I

I

G

G

I

L

E

E

V

V

A

A

T

G

K

K

L

L

A

I

K

K

Y

Y

S

S

D

D

T

N

G

G

S

S

T

T

L

L

S

S

A

A

V

V

N

N

F

F

P

P

E

E

V

V

S

S

L

L

P

P

I

L

P

-

S

-

K

H

G

G

V

G

S

R

R

R

F

L

I

M

N

H

I

I

H

H

K

E

N

N

Q

R

P

P

G

G

V

V

L

L

N

T

A

A

I

L

N

N

N

K

L

I

L

F

A

A

S

E

R

Q

G

G

L

V

N

N

I

I

A

A

G

A

Q

Q

Y

Y

L

L

Q

Q

T

T

S

S

A

A

E

Q

V

M

G

G

Y

Y

V

V

V

V

I

I

D

D

I

I

D

E

S

A

V

-

D

D

L

E

K

D

Q

V

S

A

E

E

Q

K

I

A

L

L

A

Q

E

A

L

M

K

K

K

A

V

I

D

P

G

G

T

T

I

I

K

R

A

A

R

R

L

L

L

L

F

Y

active site: N102 (= N108), R228 (= R240), D252 (= D264)
binding nicotinamide-adenine-dinucleotide: P99 (= P105), F100 (= F106), N102 (= N108), T103 (= T109), G146 (= G158), G148 (= G160), H149 (= H161), I150 (= I162), Y168 (= Y180), D169 (= D181), I170 (= I182), H198 (= H210), V199 (= V211), P200 (= P212), S204 (≠ T216), T205 (= T217), S227 (= S239)

P87228 Putative D-3-phosphoglycerate dehydrogenase; 3-PGDH; 2-oxoglutarate reductase; EC 1.1.1.95; EC 1.1.1.399 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
48% identity, 100% coverage: 3:413/413 of query aligns to 48:466/466 of P87228

query
sites
P87228

V

L

Q

K

T

P

L

F

T

A

K

S

D

E

E

D

N

I

K

K

F

I

L

L

L

L

L

L

E

E

G

N

V

V

H

N

P

Q

S

S

A

A

I

L

E

S

I

N

L

L

K

K

N

D

A

E

G

G

Y

Y

S

-

N

Q

I

V

E

E

Y

F

Y

L

K

K

G

T

A

S

L

M

T
x
S

E

E

Q

D

E

D

L

L

K

V

E

E

A

K

I

I

K

K

D

G

A

V

R

H

F

A

I

I

G

G

V

I

R

R

S

S

R

K

T

T

Q

R

L

L

T

T

E

R

D

R

I

V

I

L

N

E

C

A

A

A

P

D

K

S

L

L

A

I

G

V

I

I

G

G

C

C

F

F

C

C

I

I

G

G

T

T

N

N

Q

Q

V

V

N

D

L

L

S

D

A

F

A

A

S

A

K

E

K

R

G

G

I

I

P

A

V

V

F

F

N

N

A

S

P

P

F

Y

S

A

N

N

T

S

R

R

S

S

V

V

A

A

E

E

L

L

V

V

L

I

A

G

E

Y

I

I

I

I

L

S

L

L

L

A

R

R

R

Q

V

V

P

G

E

D

A

R

N

S

A

L

Q

E

A

L

H

H

L

R

G

G

K

E

W

W

N

N

K

K

I

V

A

S

I

S

G

G

S

C

H

W

E

E

T

I

R

R

G

G

K

K

S

T

L

L

G

G

I

I

I

I

G

G

Y

Y

G

G

H

H

I

I

G

G

S

S

Q

Q

L

L

S

S

V

V

L

L

A

A

E

E

S

A

L

M

G

G

M

L

K

H

V

V

F

V

F

Y

Y

Y

D

D

I

I

E

L

T

P

K

I

L

M

P

P

L

L

G

G

N

S

A

A

K

K

Q

Q

M

L

P

S

S

S

L

L

A

P

A

E

L

L

F

L

A

H

E

R

S

A

D

D

V

F

I

V

S

S

L

L

H

H

V

V

P

P

E

A

N
x
S

A

P

T

E

T

T

I

K

N

N

M

M

I

I

S

S

K

S

K

K

E

E

L

F

E

A

M

A

M

M

K

K

P

E

R

G

S

S

I

Y

L

L

V

I

N

N

A

A

S

S

R

R

G

G

K

T

V

V

V

V

D

D

I

I

E

P

A

A

L

L

A

V

N

D

A

A

L

S

A

K

D

S

K

G

H

K

I

I

A

A

G

G

A

A

A

A

I

I

D

D

V

V

F

Y

P

P

S

S

E

E

P

P

A

A

S

G

N

N

S

G

E

K

-

D

-

K

-

F

-

V

-

D

-

S

-

L

-

N

P

S

F

W

T

T

S

S

P

E

L

L

C

T

Q

H

F

C

D

K

N

N

V

I

I

I

I

L

T

T

P

P

H

H

I

I

G

G

G

G

S

S

T

T

I

E

E

E

A

A

Q

Q

E

Y

N

N

I

I

G

G

I

I

E

E

V

V

A

S

T

E

K

A

L

L

A

T

K

R

Y

Y

S

I

D

N

T

E

G

G

S

N

T

S

L

I

S

G

A

A

V

V

N

N

F

F

P

P

E

E

V

V

S

S

L

L

P

R

I

S

-

L

-

T

-

E

P

A

S

D

K

R

G

N

V

A

S

A

R

R

F

V

I

L

N

F

I

V

H

H

K

R

N

N

Q

V

P

P

G

G

V

V

L

L

N

R

A

Q

I

V

N

N

N

E

L

L

L

F

A

I

S

D

R

H

G

-

L

-

N

N

I

I

A

K

G

S

Q

Q

Y

F

L

S

Q

D

T

S

S

R

A

G

E

D

V

I

G

A

Y

Y

V

L

V

V

I

A

D

D

I

I

D

S

S

D

V

C

D

T

L

P

K

G

Q

S

S

L

E

E

Q

A

I

L

L

H

A

Q

E

K

L

L

K

E

K

S

V

L

D

P

G

C

T

K

I

I

K

N

A

T

R

R

L

L

L

L

F

Y

S87 (≠ T43) modified: Phosphoserine
S258 (≠ N214) modified: Phosphoserine

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
41% identity, 73% coverage: 12:314/413 of query aligns to 2:300/304 of 1wwkA

query
sites
1wwkA

K

K

F

V

L

L

L

V

L

A

E

A

G

P

V

L

H

H

P

E

S

K

A

A

I

I

E

Q

I

V

L

L

K

K

N

D

A

A

G

G

Y

L

S

E

N

V

I

I

E

-

Y

-

Y

Y

K

E

G

E

A

Y

L

P

T

D

E

E

Q

D

E

R

L

L

K

V

E

E

A

L

I

V

K

K

D

D

A

V

R

E

F

A

I

I

G

I

V

V

R

R

S

S

R

K

T

P

Q

K

L

V

T

T

E

R

D

R

I

V

I

I

N

E

C

S

A

A

P

P

K

K

L

L

A

K

G

V

I

I

G

A

C

R

F

A

C

G

I

V

G

G

T

L

N

D

Q

N

V

I

N

D

L

V

S

E

A

A

A

A

S

K

K

E

K

K

G

G

I

I

P

E

V

V

F

V

N

N

A

A

P

P

F

A

S

A

N
x
S

T

S

R

R

S

S

V
|
V

A

A

E

E

L

L

V

A

L

V

A

G

E

L

I

M

I

F

L

S

L

V

L

A

R

R

R

K

V

I

P

A

E

F

A

A

N

D

A

R

Q

K

A

M

H

R

L

E

G

G

K

V

W

W

N

A

K

K

I

K

A

E

I

A

G

M

S

G

H

I

E

E

T

L

R

E

G

G

K

K

S

T

L

I

G

G

I

I

I

I

G
|
G

Y
x
F

G
|
G

H
x
R

I
|
I

G

G

S

Y

Q

Q

L

V

S

A

V

K

L

I

A

A

E

N

S

A

L

L

G

G

M

M

K

N

V

I

F

L

F

L

Y
|
Y

D
|
D

I

-

E

-

T

-

K

-

L

-

P
|
P

L

Y

G

P

N

N

A

E

K

E

Q

R

M

A

P

K

-

E

-

V

-

N

-

G

-

K

-

F

-

V

S

D

L

L

A

E

A

T

L

L

F

L

A

K

E

E

S

S

D

D

V

V

I

V

S

T

L

I

H

H

V
|
V

P
|
P

E

L

N

V

A

E

T

S

T
|
T

I

Y

N

H

M

L

I

I

S

N

K

E

K

E

E

R

L

L

E

K

M

L

M

M

K

K

P

K

R

T

S

A

I

I

L

L

V

I

N

N

A
x
T

S
|
S

R
|
R

G

G

K

P

V

V

V

V

D

D

I

T

E

N

A

A

L

L

A

V

N

K

A

A

L

L

A

K

D

E

K

G

H

W

I

I

A

A

G

G

A

A

A

G

I

L

D
|
D

V

V

F

F

P

E

S

E

E
|
E

P

P

A

L

S

-

N

-

S

-

E

-

P

P

F

K

T

D

S

H

P

P

L

L

C

T

Q

K

F

F

D

D

N

N

V

V

I

V

I

L

T

T

P

P

H
|
H

I

I

G
|
G

G

A

S

S

T

T

I

V

E

E

A

A

Q

Q

E

E

N

R

I

A

G

G

I

V

E

E

V

V

A

A

T

E

K

K

L

V

A

V

K

K

active site: S96 (≠ N108), R230 (= R240), D254 (= D264), E259 (= E269), H278 (= H292)
binding nicotinamide-adenine-dinucleotide: V100 (= V112), G146 (= G158), F147 (≠ Y159), G148 (= G160), R149 (≠ H161), I150 (= I162), Y168 (= Y180), D169 (= D181), P170 (= P187), V201 (= V211), P202 (= P212), T207 (= T217), T228 (≠ A238), S229 (= S239), D254 (= D264), H278 (= H292), G280 (= G294)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
36% identity, 73% coverage: 11:312/413 of query aligns to 2:298/302 of 7ewhA

query
sites
7ewhA

N

R

K

K

F

V

L

L

L

I

L

S

E

D

G

S

V

L

H

D

P

P

S

C

A

C

I

R

E

K

I

I

L

L

K

Q

N

D

A

G

G

G

Y

L

S

Q

N

V

I

V

E

E

Y

-

Y

-

K

K

G

Q

A

N

L

L

T

S

E

K

Q

E

E

E

L

L

K

I

E

A

A

E

I

L

K

Q

D

D

A

C

R

E

F

G

I

L

G

I

V

V

R

R

S

S

R

A

T

T

Q

K

L

V

T

T

E

A

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

Q

G

V

I

V

G

G

C

R

F

A

C

G

I

T

G

G

T

V

N

D

Q

N

V

V

N

D

L

L

S

E

A

A

A

A

S

T

K

R

K

K

G

G

I

I

P

L

V

V

F

M

N

N

A

T

P

P

F

N

S

G

N

N

T

S

R

L

S

S

V

A

A

A

E

E

L

L

V

T

L

C

A

G

E

M

I

I

I

M

L

C

L

L

L

A

R

R

R

Q

V

I

P

P

E

Q

A

A

N

T

A

A

Q

S

A

M

H

K

L

D

G

G

K

K

W

W

N

E

K

R

I

K

A

K

I

F

G

M

S

G

H

T

E

E

T

L

R

N

G

G

K

K

S

T

L

L

G

G

I

I

I
x
L

G
|
G

Y
x
L

G
|
G

H
x
R

I
|
I

G
|
G

S

R

Q

E

L

V

S

A

V

T

L

R

A

M

E

Q

S

S

L

F

G

G

M

M

K

K

V

T

F

I

F

G

Y

Y

D
|
D

-

P

-

I

-

I

-

S

I

P

E

E

T

V

K

S

L

A

P

S

L

F

G

G

N

-

A

V

K

Q

Q

Q

M

L

P

P

S

-

L

L

A

E

A

E

L

I

F

W

A

P

E

L

S

C

D

D

V

F

I

I

S

T

L

V

H
|
H

V
x
T

P
|
P

E

L

N

L

A

P

T

S

T

T

I

T

N

G

M

L

I

L

S

N

K

D

K

N

E

T

L

F

E

A

M

Q

M

C

K

K

P

K

R

G

S

V

I

R

L

V

V

V

N

N

A

C

S

A

R

R

G

G

K

G

V

I

V

V

D

D

I

E

E

G

A

A

L

L

A

L

N

R

A

A

L

L

A

Q

D

S

K

G

H

Q

I

C

A

A

G

G

A

A

A

A

I

L

D

D

V

V

F

F

P

T

S

E

E

E

P

P

A

-

S

-

N

-

S

-

E

-

P

P

F

R

T

D

S

R

P

A

L

L

C

V

Q

D

F

H

D

E

N

N

V

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

I

K

E

E

A

A

Q

Q

E

S

N

R

I

C

G

G

I

E

E

E

V

I

A

A

T

V

K

Q

L

F

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ I157), G147 (= G158), L148 (≠ Y159), G149 (= G160), R150 (≠ H161), I151 (= I162), G152 (= G163), D170 (= D181), H201 (= H210), T202 (≠ V211), P203 (= P212)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
36% identity, 73% coverage: 11:312/413 of query aligns to 2:298/302 of 6rihA

query
sites
6rihA

N

R

K

K

F

V

L

L

L

I

L

S

E

D

G

S

V

L

H

D

P

P

S

C

A

C

I

R

E

K

I

I

L

L

K

Q

N

D

A

G

G

G

Y

L

S

Q

N

V

I

V

E

E

Y

-

Y

-

K

K

G

Q

A

N

L

L

T

S

E

K

Q

E

E

E

L

L

K

I

E

A

A

E

I

L

K

Q

D

D

A

C

R

E

F

G

I

L

G

I

V

V

R

R

S

S

R

A

T

T

Q

K

L

V

T

T

E

A

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

Q

G

V

I

V

G

G

C

R

F

A

C

G

I

T

G

G

T

V

N

D

Q

N

V

V

N

D

L

L

S

E

A

A

A

A

S

T

K

R

K

K

G

G

I

I

P

L

V

V

F

M

N

N

A

T

P

P

F

N

S

G

N

N

T

S

R

L

S

S

V

A

A

A

E

E

L

L

V

T

L

C

A

G

E

M

I

I

I

M

L

C

L

L

L

A

R

R

R

Q

V

I

P

P

E

Q

A

A

N

T

A

A

Q

S

A

M

H

K

L

D

G

G

K

K

W

W

N

E

K

R

I

K

A

K

I

F

G

M

S

G

H

T

E

E

T

L

R

N

G

G

K

K

S

T

L

L

G

G

I

I

I

L

G

G

Y

L

G
|
G

H

R

I

I

G

G

S

R

Q

E

L

V

S

A

V

T

L

R

A

M

E

Q

S

S

L

F

G

G

M

M

K

K

V

T

F

I

F

G

Y
|
Y

D
|
D

-
x
P

-
x
I

-
x
I

-

S

I

P

E

E

T

V

K

S

L

A

P

S

L

F

G

G

N

-

A

V

K

Q

Q

Q

M

L

P

P

S

-

L

L

A

E

A

E

L

I

F

W

A

P

E

L

S

C

D

D

V

F

I

I

S

T

L

V

H

H

V
x
T

P
|
P

E

L

N

L

A

P

T

S

T

T

I

T

N

G

M
x
L

I

L

S

N

K

D

K

N

E

T

L

F

E

A

M

Q

M

C

K

K

P

K

R

G

S

V

I

R

L

V

V

V

N

N

A

C

S

A

R

R

G

G

K

G

V

I

V

V

D

D

I

E

E

G

A

A

L

L

A

L

N

R

A

A

L

L

A

Q

D

S

K

G

H

Q

I

C

A

A

G

G

A

A

A

A

I

L

D

D

V

V

F

F

P

T

S

E

E

E

P

P

A

-

S

-

N

-

S

-

E

-

P

P

F

R

T

D

S

R

P

A

L

L

C

V

Q

D

F

H

D

E

N

N

V

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

I

K

E

E

A

A

Q

Q

E

S

N

R

I

C

G

G

I

E

E

E

V

I

A

A

T

V

K

Q

L

F

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G160), Y169 (= Y180), D170 (= D181), P171 (vs. gap), I172 (vs. gap), I173 (vs. gap), T202 (≠ V211), P203 (= P212), L211 (≠ M220)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
36% identity, 73% coverage: 11:312/413 of query aligns to 2:298/301 of 6rj5A

query
sites
6rj5A

N

R

K

K

F

V

L

L

L

I

L

S

E

D

G

S

V

L

H

D

P

P

S

C

A

C

I

R

E

K

I

I

L

L

K

Q

N

D

A

G

G

G

Y

L

S

Q

N

V

I

V

E

E

Y

-

Y

-

K

K

G

Q

A

N

L

L

T

S

E

K

Q

E

E

E

L

L

K

I

E

A

A

E

I

L

K

Q

D

D

A

C

R

E

F

G

I

L

G

I

V

V

R

R

S

S

R

A

T

T

Q

K

L

V

T

T

E

A

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

Q

G

V

I

V

G

G

C

R

F

A

C

G

I

T

G

G

T

V

N

D

Q

N

V

V

N

D

L

L

S

E

A

A

A

A

S

T

K

R

K

K

G

G

I

I

P

L

V

V

F

M

N

N

A

T

P

P

F

N

S

G

N

N

T

S

R

L

S

S

V

A

A

A

E

E

L

L

V

T

L

C

A

G

E

M

I

I

I

M

L

C

L

L

L

A

R

R

R

Q

V

I

P

P

E

Q

A

A

N

T

A

A

Q

S

A

M

H

K

L

D

G

G

K

K

W

W

N

E

K

R

I

K

A

K

I

F

G

M

S

G

H

T

E

E

T

L

R

N

G

G

K

K

S

T

L

L

G

G

I

I

I
x
L

G

G

Y

L

G

G

H

R

I

I

G

G

S

R

Q

E

L

V

S

A

V

T

L

R

A

M

E

Q

S

S

L

F

G

G

M

M

K

K

V

T

F

I

F

G

Y
|
Y

D
|
D

-
x
P

-

I

-
x
I

-

S

I

P

E

E

T

V

K

S

L

A

P

S

L

F

G

G

N

-

A

V

K

Q

Q

Q

M

L

P

P

S

-

L

L

A

E

A

E

L

I

F

W

A

P

E

L

S

C

D

D

V

F

I

I

S

T

L

V

H
|
H

V
x
T

P
|
P

E

L

N

L

A

P

T

S

T

T

I

T

N

G

M
x
L

I

L

S

N

K

D

K

N

E

T

L

F

E

A

M

Q

M

C

K

K

P

K

R

G

S

V

I

R

L

V

V

V

N

N

A

C

S

A

R

R

G

G

K

G

V

I

V

V

D

D

I

E

E

G

A

A

L

L

A

L

N

R

A

A

L

L

A

Q

D

S

K

G

H

Q

I

C

A

A

G

G

A

A

A

A

I

L

D

D

V

V

F

F

P

T

S

E

E

E

P

P

A

-

S

-

N

-

S

-

E

-

P

P

F

R

T

D

S

R

P

A

L

L

C

V

Q

D

F

H

D

E

N

N

V

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

I

K

E

E

A

A

Q

Q

E

S

N

R

I

C

G

G

I

E

E

E

V

I

A

A

T

V

K

Q

L

F

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ I157), Y169 (= Y180), D170 (= D181), P171 (vs. gap), I173 (vs. gap), H201 (= H210), T202 (≠ V211), P203 (= P212), L211 (≠ M220)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
36% identity, 73% coverage: 11:312/413 of query aligns to 2:298/303 of 6plgA

query
sites
6plgA

N

R

K

K

F

V

L

L

L

I

L

S

E

D

G

S

V

L

H

D

P

P

S

C

A

C

I

R

E

K

I

I

L

L

K

Q

N

D

A

G

G

G

Y

L

S

Q

N

V

I

V

E

E

Y

-

Y

-

K

K

G

Q

A

N

L

L

T

S

E

K

Q

E

E

E

L

L

K

I

E

A

A

E

I

L

K

Q

D

D

A

C

R

E

F

G

I

L

G

I

V

V

R

R

S

S

R

A

T

T

Q

K

L

V

T

T

E

A

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

Q

G

V

I

V

G

G

C

R

F

A

C

G

I

T

G

G

T

V

N

D

Q

N

V

V

N

D

L

L

S

E

A

A

A

A

S

T

K

R

K

K

G

G

I

I

P

L

V

V

F

M

N

N

A

T

P

P

F

N

S

G

N

N

T

S

R

L

S

S

V

A

A

A

E

E

L

L

V

T

L

C

A

G

E

M

I

I

I

M

L

C

L

L

L

A

R

R

R

Q

V

I

P

P

E

Q

A

A

N

T

A

A

Q

S

A

M

H

K

L

D

G

G

K

K

W

W

N

E

K

R

I

K

A

K

I

F

G

M

S

G

H

T

E

E

T

L

R

N

G

G

K

K

S

T

L

L

G

G

I

I

I

L

G

G

Y

L

G
|
G

H
x
R

I

I

G

G

S

R

Q

E

L

V

S

A

V

T

L

R

A

M

E

Q

S

S

L

F

G

G

M

M

K

K

V

T

F

I

F

G

Y

Y

D
|
D

-
x
P

-
x
I

-
x
I

-

S

I

P

E

E

T

V

K

S

L

A

P

S

L

F

G

G

N

-

A

V

K

Q

Q

Q

M

L

P

P

S

-

L

L

A

E

A

E

L

I

F

W

A

P

E

L

S

C

D

D

V

F

I

I

S

T

L

V

H
|
H

V
x
T

P

P

E

L

N
x
L

A

P

T

S

T

T

I

T

N

G

M

L

I

L

S

N

K

D

K

N

E

T

L

F

E

A

M

Q

M

C

K

K

P

K

R

G

S

V

I

R

L

V

V

V

N

N

A

C

S

A

R

R

G

G

K

G

V

I

V

V

D

D

I

E

E

G

A

A

L

L

A

L

N

R

A

A

L

L

A

Q

D

S

K

G

H

Q

I

C

A

A

G

G

A

A

A

A

I

L

D

D

V

V

F

F

P

T

S

E

E

E

P

P

A

-

S

-

N

-

S

-

E

-

P

P

F

R

T

D

S

R

P

A

L

L

C

V

Q

D

F

H

D

E

N

N

V

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

I

K

E

E

A

A

Q

Q

E

S

N

R

I

C

G

G

I

E

E

E

V

I

A

A

T

V

K

Q

L

F

binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G160), R150 (≠ H161), D170 (= D181), P171 (vs. gap), I172 (vs. gap), I173 (vs. gap), H201 (= H210), T202 (≠ V211), L205 (≠ N214)

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
36% identity, 73% coverage: 12:312/413 of query aligns to 4:299/305 of 6plfA

query
sites
6plfA

K

K

F

V

L

L

L

I

L

S

E

D

G

S

V

L

H

D

P

P

S

C

A

C

I

R

E

K

I

I

L

L

K

Q

N

D

A

G

G

G

Y

L

S

Q

N

V

I

V

E

E

Y

-

Y

-

K

K

G

Q

A

N

L

L

T

S

E

K

Q

E

E

E

L

L

K

I

E

A

A

E

I

L

K

Q

D

D

A

C

R

E

F

G

I

L

G

I

V

V

R

R

S

S

R

A

T

T

Q

K

L

V

T

T

E

A

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

Q

G

V

I

V

G

G

C

R

F

A

C

G

I

T

G

G

T

V

N

D

Q

N

V

V

N

D

L

L

S

E

A

A

A

A

S

T

K

R

K

K

G

G

I

I

P

L

V

V

F

M

N

N

A

T

P

P

F

N

S

G

N

N

T

S

R

L

S

S

V

A

A

A

E

E

L

L

V

T

L

C

A

G

E

M

I

I

I

M

L

C

L

L

L

A

R

R

R

Q

V

I

P

P

E

Q

A

A

N

T

A

A

Q

S

A

M

H

K

L

D

G

G

K

K

W

W

N

E

K

R

I

K

A

K

I

F

G

M

S

G

H

T

E

E

T

L

R

N

G

G

K

K

S

T

L

L

G

G

I

I

I

L

G

G

Y

L

G

G

H

R

I

I

G

G

S

R

Q

E

L

V

S

A

V

T

L

R

A

M

E

Q

S

S

L

F

G

G

M

M

K

K

V

T

F

I

F

G

Y
|
Y

D
|
D

-
x
P

-

I

-

I

-

S

I

P

E

E

T

V

K

S

L

A

P

S

L

F

G

G

N

-

A

V

K

Q

Q

Q

M

L

P

P

S

-

L
|
L

A

E

A

E

L

I

F

W

A

P

E

L

S

C

D

D

V

F

I

I

S

T

L

V

H
|
H

V
x
T

P
|
P

E

L

N

L

A

P

T

S

T

T

I

T

N

G

M
x
L

I

L

S

N

K

D

K

N

E

T

L

F

E

A

M

Q

M

C

K

K

P

K

R

G

S

V

I

R

L

V

V

V

N

N

A

C

S

A

R

R

G

G

K

G

V

I

V

V

D

D

I

E

E

G

A

A

L

L

A

L

N

R

A

A

L

L

A

Q

D

S

K

G

H

Q

I

C

A

A

G

G

A

A

A

A

I

L

D

D

V

V

F

F

P

T

S

E

E

E

P

P

A

-

S

-

N

-

S

-

E

-

P

P

F

R

T

D

S

R

P

A

L

L

C

V

Q

D

F

H

D

E

N

N

V

V

I

I

I

S

T

C

P

P

H

H

I

L

G

G

G

A

S

S

T

T

I

K

E

E

A

A

Q

Q

E

S

N

R

I

C

G

G

I

E

E

E

V

I

A

A

T

V

K

Q

L

F

binding 4-{(1S)-1-[(5-chloro-6-{[(5S)-2-oxo-1,3-oxazolidin-5-yl]methoxy}-1H-indole-2-carbonyl)amino]-2-hydroxyethyl}benzoic acid: Y170 (= Y180), D171 (= D181), P172 (vs. gap), L189 (= L197), H202 (= H210), T203 (≠ V211), P204 (= P212), L212 (≠ M220)

7dkmA Phgdh covalently linked to oridonin (see paper)
36% identity, 73% coverage: 12:312/413 of query aligns to 4:299/306 of 7dkmA

query
sites
7dkmA

K

K

F

V

L

L

L

I

L

S

E

D

G

S

V

L

H

D

P

P

S
x
C

A

C

I

R

E
x
K

I
|
I

L

L

K

Q

N

D

A

G

G

G

Y

L

S

Q

N

V

I

V

E

E

Y

-

Y

-

K

K

G

Q

A

N

L

L

T

S

E

K

Q

E

E

E

L

L

K

I

E

A

A

E

I

L

K

Q

D

D

A

C

R

E

F

G

I

L

G

I

V

V

R

R

S

S

R

A

T

T

Q

K

L

V

T

T

E

A

D

D

I

V

I

I

N

N

C

A

A

A

P

E

K

K

L

L

A

Q

G

V

I

V

G

G

C

R

F

A

C

G

I
x
T

G

G

T

V

N

D

Q

N

V

V

N

D

L

L

S

E

A

A

A

A

S

T

K

R

K

K

G

G

I

I

P

L

V

V

F

M

N

N

A

T

P

P

F

N

S

G

N

N

T

S

R

L

S

S

V
x
A

A

A

E

E

L

L

V

T

L

C

A

G

E

M

I

I

I

M

L

C

L

L

L

A

R

R

R

Q

V

I

P

P

E

Q

A

A

N

T

A

A

Q

S

A

M

H

K

L

D

G

G

K

K

W

W

N
&n