SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012966581.1 NCBI__GCF_000025505.1:WP_012966581.1 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)

O43175 D-3-phosphoglycerate dehydrogenase; 3-PGDH; 2-oxoglutarate reductase; Malate dehydrogenase; EC 1.1.1.95; EC 1.1.1.399; EC 1.1.1.37 from Homo sapiens (Human) (see 3 papers)
42% identity, 81% coverage: 2:430/527 of query aligns to 8:432/533 of O43175

query
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O43175

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T78 (≠ V72) binding NAD(+)
R135 (= R129) to W: in PHGDHD; results in a 2-fold decrease in enzyme activity with 3-phosphohydroxypyruvate, but no change in substrate affinity; dbSNP:rs267606949
RI 155:156 (= RI 149:150) binding NAD(+)
D175 (= D169) binding NAD(+)
T207 (≠ V201) binding NAD(+)
CAR 234:236 (= CAR 228:230) binding NAD(+)
D260 (= D254) binding NAD(+)
V261 (= V255) to M: in PHGDHD; results in a four-fold decrease in substrate affinity and a slight increase in maximal enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs267606947
HLGA 283:286 (≠ HIGA 278:281) binding NAD(+)
A373 (= A368) to T: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs201553627
G377 (= G372) to S: in PHGDHD; results in a 2-fold decrease in enzyme activity with 3-phosphohydroxypyruvate, but no change in substrate affinity; dbSNP:rs267606948
V425 (≠ I423) to M: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs121907988

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine
490 V → M: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs121907987

3dc2A Crystal structure of serine bound d-3-phosphoglycerate dehydrogenase from mycobacterium tuberculosis (see paper)
38% identity, 95% coverage: 3:504/527 of query aligns to 4:504/526 of 3dc2A

query
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active site: N96 (= N96), R230 (= R230), D254 (= D254), E259 (= E259), H277 (= H278)
binding serine: Y458 (≠ H458), D460 (= D460), R461 (≠ K461), P462 (= P462), G463 (= G463), A464 (≠ V464), L465 (≠ I465), L484 (≠ V484)

3ddnB Crystal structure of hydroxypyruvic acid phosphate bound d-3- phosphoglycerate dehydrogenase in mycobacterium tuberculosis (see paper)
38% identity, 95% coverage: 3:504/527 of query aligns to 5:503/525 of 3ddnB

query
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3ddnB

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E

E

A

A

Q
|
Q

K

D

S

R

V

A

G

G

M

T

I

D

I

V

A

A

R

E

D

S

I

V

I

R

N

L

L

A

Y

L

K

A

G

G

L

E

P

F

V

V

I

P

N

D

A

A

V

V

N

N

L

V

P

G

S

G

L

G

K

V

P

V

E

N

D

-

F

-

E

E

Y

E

L

V

M

A

P

P

Y

W

I

L

T

D

L

L

A

V

E

R

K

K

M

L

G

G

K

V

I

L

A

A

S

G

A

V

R

L

L

S

G

D

G

E

N

L

F

P

K

V

E

S

V

L

K

S

I

V

T

Q

Y

V

R

R

G

G

K

E

L

L

A

A

N

A

K

E

D

E

T

V

A

E

Y

V

V

L

A

R

R

L

A

S

L

A

L

L

K

R

G

G

L

L

L

F

E

S

T

A

I

V

L

I

G

-

A

-

N

E

I

V

N

T

L

F

V

V

S

N

S

A

M

P

P

A

I

L

A

A

K

A

Q

E

R

R

G

G

I

V

R

T

I

A

E

E

E

I

S

C

R

K

I

A

E

S

S

E

T

S

D

P

S

N

Y

H

E

R

S

S

L

V

E

D

V

V

E

R

V

A

K

V

G

G

E

A

K

D

S

G

-

S

-

V

I

V

S

T

L

V

A

S

G

G

T

T

S

L

F

Y

G

G

R

P

D

Q

-

L

D

S

Y

Q

R

K

I

I

I

V

R

Q

I

I

D

N

R

G

Y

R

K

H

V

F

D

D

F

L

V

R

P

A

R

Q

G

G

H

I

Y

N

I

L

I

I

S

I

L

H

H

Y

E

V

D

D

K

R

P

P

G

G

V

A

I

L

G

G

R

K

V

I

G

G

T

T

L

L

F

L

G

G

Q

T

Y

A

N

G

I

V

N

N

I

I

A

Q

G

A

M

A

I

Q

V

L

G

S

R

E

Y

D

G

A

D

E

K

G

P

P

G

G

G

A

V

T

Q

I

L

L

M

L

L

R

L

L

L

D

V

Q

D

D

D

V

P

P

active site: N97 (= N96), R231 (= R230), D255 (= D254), E260 (= E259), H278 (= H278)
binding 2-oxo-3-(phosphonooxy)propanoic acid: R70 (= R69), V73 (= V72), N97 (= N96), A281 (= A281), Q287 (= Q287)

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
50% identity, 57% coverage: 2:304/527 of query aligns to 4:305/305 of 6plfA

query
sites
6plfA

K

K

V

V

L

L

V

I

A

S

S

D

N

S

I

L

A

D

K

P

E

C

A

C

I

R

E

K

L

I

L

L

K

Q

A

D

E

G

G

G

M

L

E

Q

V

V

D

V

V

E

R

K

A

Q

D

N

I

L

S

S

E

K

E

E

L

L

K

I

E

A

V

E

I

L

K

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

S

S

K

A

P

T

K

K

V

V

T

T

R

A

E

D

I

V

I

I

E

N

R

A

G

A

E

E

K

K

L

L

K

Q

I

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

V

L

D

E

A

A

T

T

E

R

R

K

G

G

I

I

I

L

V

V

V

M

N

N

A

T

P

P

G

N

G

G

N

N

T

S

I

L

S

S

T

A

A

A

E

E

L

L

T

T

M

C

G

G

L

M

I

I

I

M

S

C

A

L

A

A

R

R

K

Q

I

I

P

P

Q

Q

A

A

D

T

R

A

S

S

V

M

K

K

E

D

G

G

K

K

W

W

E

E

R

R

K

K

F

F

E

M

G

G

L

T

E

E

L

L

R

N

G

G

K

K

T

T

L

L

G

G

I

I

I

L

G

G

L

L

G

G

R

R

I

I

G

G

F

R

E

E

V

V

A

A

K

T

R

R

A

M

K

Q

S

S

F

F

E

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

Y

I

I

I

S

S

P

P

E

E

R

V

A

S

K

A

S

S

I

F

G

G

V

V

E

Q

L

Q

V

L

S

P

F
x
L

D

E

Y

E

L

I

I

W

E

P

N

L

S

C

D

D

I

F

I

I

T

T

V

V

H
|
H

V
x
T

P
|
P

K

L

T

L

K

P

E

S

T

T

E

T

K

G

M
x
L

I

L

S

N

Y

D

E

N

E

T

F

F

R

A

K

Q

M

C

K

K

D

K

N

G

V

V

I

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

L

L

Y

L

E

R

A

A

L

L

K

Q

S

S

G

G

K

Q

V

C

Y

A

M

G

A

A

L

L

D

D

V

V

Y

F

E

T

K

E

E

E

P

P

N

R

F

-

N

D

H

R

P

A

L

L

F

V

K

D

L

H

E

E

N

N

V

V

I

I

T

S

T

C

P

P

H

H

I

L

G

G

A

A

S

S

T

T

K

K

E

E

A

A

Q

Q

K

S

S

R

V

C

G

G

M

E

I

E

I

I

A

A

R

V

D

Q

I

F

I

V

N

D

L

M

Y

V

K

K

G

G

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 (= Y168), D171 (= D169), P172 (= P170), L189 (≠ F187), H202 (= H200), T203 (≠ V201), P204 (= P202), L212 (≠ M210)

7dkmA Phgdh covalently linked to oridonin (see paper)
50% identity, 57% coverage: 2:303/527 of query aligns to 4:304/306 of 7dkmA

query
sites
7dkmA

K

K

V

V

L

L

V

I

A

S

S

D

N

S

I

L

A

D

K

P

E
x
C

A

C

I

R

E
x
K

L
x
I

L

L

K

Q

A

D

E

G

G

G

M

L

E

Q

V

V

D

V

V

E

R

K

A

Q

D

N

I

L

S

S

E

K

E

E

L

L

K

I

E

A

V

E

I

L

K

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

S

S

K

A

P

T

K

K

V

V

T

T

R

A

E

D

I

V

I

I

E

N

R

A

G

A

E

E

K

K

L

L

K

Q

I

V

G

G

R

R

A

A

G

G

V
x
T

G

G

V

V

D

D

N

N

I

V

D

D

V

L

D

E

A

A

T

T

E

R

R

K

G

G

I

I

I

L

V

V

V

M

N

N

A

T

P

P

G

N

G

G

N

N

T

S

I

L

S

S

T
x
A

A

A

E

E

L

L

T

T

M

C

G

G

L

M

I

I

I

M

S

C

A

L

A

A

R

R

K

Q

I

I

P

P

Q

Q

A

A

D

T

R

A

S

S

V

M

K

K

E

D

G

G

K

K

W

W

E

E

R

R

K

K

F

F

E

M

G

G

L

T

E

E

L

L

R

N

G

G

K

K

T

T

L

L

G

G

I

I

I

L

G
|
G

L

L

G

G

R
|
R

I
|
I

G

G

F

R

E

E

V

V

A

A

K

T

R

R

A

M

K

Q

S

S

F

F

E

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

Y
x
I

I

I

S

S

P

P

E

E

R

V

A

S

K

A

S

S

I

F

G

G

V

V

E

Q

L

Q

V

L

S

P

F

L

D

E

Y

E

L

I

I

W

E

P

N

L

S

C

D

D

I

F

I

I

T

T

V

V

H
|
H

V
x
T

P
|
P

K

L

T

L

K

P

E

S

T
|
T

E

T

K

G

M

L

I

L

S

N

Y

D

E

N

E

T

F

F

R

A

K

Q

M

C

K

K

D

K

N

G

V

V

I

R

I

V

V

V

N

N

C
|
C

A
|
A

R
|
R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

L

L

Y

L

E

R

A

A

L

L

K

Q

S

S

G

G

K

Q

V

C

Y

A

M

G

A

A

L

L

D

D

V

V

Y

F

E

T

K

E

E

E

P

P

N

R

F

-

N

D

H

R

P

A

L

L

F

V

K

D

L

H

E

E

N

N

V

V

I

I

T

S

T

C

P

P

H
|
H

I

L

G
|
G

A

A

S

S

T

T

K

K

E

E

A

A

Q

Q

K

S

S

R

V

C

G

G

M
x
E

I

E

I

I

A

A

R

V

D

Q

I

F

I

V

N

D

L

M

Y

V

K

K

binding nicotinamide-adenine-dinucleotide: T74 (≠ V72), A102 (≠ T100), G148 (= G146), R151 (= R149), I152 (= I150), Y170 (= Y168), D171 (= D169), P172 (= P170), I173 (≠ Y171), H202 (= H200), T203 (≠ V201), P204 (= P202), T209 (= T207), C230 (= C228), A231 (= A229), R232 (= R230), H279 (= H278), G281 (= G280)
binding (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one: C14 (≠ E12), K17 (≠ E15), I18 (≠ L16), E293 (≠ M292)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
50% identity, 57% coverage: 2:303/527 of query aligns to 3:303/303 of 6plgA

query
sites
6plgA

K

K

V

V

L

L

V

I

A

S

S

D

N

S

I

L

A

D

K

P

E

C

A

C

I

R

E

K

L

I

L

L

K

Q

A

D

E

G

G

G

M

L

E

Q

V

V

D

V

V

E

R

K

A

Q

D

N

I

L

S

S

E

K

E

E

L

L

K

I

E

A

V

E

I

L

K

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

S

S

K

A

P

T

K

K

V

V

T

T

R

A

E

D

I

V

I

I

E

N

R

A

G

A

E

E

K

K

L

L

K

Q

I

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

V

L

D

E

A

A

T

T

E

R

R

K

G

G

I

I

I

L

V

V

V

M

N

N

A

T

P

P

G

N

G

G

N

N

T

S

I

L

S

S

T

A

A

A

E

E

L

L

T

T

M

C

G

G

L

M

I

I

I

M

S

C

A

L

A

A

R

R

K

Q

I

I

P

P

Q

Q

A

A

D

T

R

A

S

S

V

M

K

K

E

D

G

G

K

K

W

W

E

E

R

R

K

K

F

F

E

M

G

G

L

T

E

E

L

L

R

N

G

G

K

K

T

T

L

L

G

G

I

I

I

L

G

G

L

L

G
|
G

R
|
R

I

I

G

G

F

R

E

E

V

V

A

A

K

T

R

R

A

M

K

Q

S

S

F

F

E

G

M

M

R

K

V

T

I

I

A

G

Y

Y

D
|
D

P
|
P

Y
x
I

I
|
I

S

S

P

P

E

E

R

V

A

S

K

A

S

S

I

F

G

G

V

V

E

Q

L

Q

V

L

S

P

F

L

D

E

Y

E

L

I

I

W

E

P

N

L

S

C

D

D

I

F

I

I

T

T

V

V

H
|
H

V
x
T

P

P

K

L

T
x
L

K

P

E

S

T

T

E

T

K

G

M

L

I

L

S

N

Y

D

E

N

E

T

F

F

R

A

K

Q

M

C

K

K

D

K

N

G

V

V

I

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

L

L

Y

L

E

R

A

A

L

L

K

Q

S

S

G

G

K

Q

V

C

Y

A

M

G

A

A

L

L

D

D

V

V

Y

F

E

T

K

E

E

E

P

P

N

R

F

-

N

D

H

R

P

A

L

L

F

V

K

D

L

H

E

E

N

N

V

V

I

I

T

S

T

C

P

P

H

H

I

L

G

G

A

A

S

S

T

T

K

K

E

E

A

A

Q

Q

K

S

S

R

V

C

G

G

M

E

I

E

I

I

A

A

R

V

D

Q

I

F

I

V

N

D

L

M

Y

V

K

K

binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G148), R150 (= R149), D170 (= D169), P171 (= P170), I172 (≠ Y171), I173 (= I172), H201 (= H200), T202 (≠ V201), L205 (≠ T204)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
50% identity, 57% coverage: 2:301/527 of query aligns to 3:301/301 of 6rj5A

query
sites
6rj5A

K

K

V

V

L

L

V

I

A

S

S

D

N

S

I

L

A

D

K

P

E

C

A

C

I

R

E

K

L

I

L

L

K

Q

A

D

E

G

G

G

M

L

E

Q

V

V

D

V

V

E

R

K

A

Q

D

N

I

L

S

S

E

K

E

E

L

L

K

I

E

A

V

E

I

L

K

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

S

S

K

A

P

T

K

K

V

V

T

T

R

A

E

D

I

V

I

I

E

N

R

A

G

A

E

E

K

K

L

L

K

Q

I

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

V

L

D

E

A

A

T

T

E

R

R

K

G

G

I

I

I

L

V

V

V

M

N

N

A

T

P

P

G

N

G

G

N

N

T

S

I

L

S

S

T

A

A

A

E

E

L

L

T

T

M

C

G

G

L

M

I

I

I

M

S

C

A

L

A

A

R

R

K

Q

I

I

P

P

Q

Q

A

A

D

T

R

A

S

S

V

M

K

K

E

D

G

G

K

K

W

W

E

E

R

R

K

K

F

F

E

M

G

G

L

T

E

E

L

L

R

N

G

G

K

K

T

T

L

L

G

G

I

I

I
x
L

G

G

L

L

G

G

R

R

I

I

G

G

F

R

E

E

V

V

A

A

K

T

R

R

A

M

K

Q

S

S

F

F

E

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

Y

I

I
|
I

S

S

P

P

E

E

R

V

A

S

K

A

S

S

I

F

G

G

V

V

E

Q

L

Q

V

L

S

P

F

L

D

E

Y

E

L

I

I

W

E

P

N

L

S

C

D

D

I

F

I

I

T

T

V

V

H
|
H

V
x
T

P
|
P

K

L

T

L

K

P

E

S

T

T

E

T

K

G

M
x
L

I

L

S

N

Y

D

E

N

E

T

F

F

R

A

K

Q

M

C

K

K

D

K

N

G

V

V

I

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

L

L

Y

L

E

R

A

A

L

L

K

Q

S

S

G

G

K

Q

V

C

Y

A

M

G

A

A

L

L

D

D

V

V

Y

F

E

T

K

E

E

E

P

P

N

R

F

-

N

D

H

R

P

A

L

L

F

V

K

D

L

H

E

E

N

N

V

V

I

I

T

S

T

C

P

P

H

H

I

L

G

G

A

A

S

S

T

T

K

K

E

E

A

A

Q

Q

K

S

S

R

V

C

G

G

M

E

I

E

I

I

A

A

R

V

D

Q

I

F

I

V

N

D

L

M

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ I145), Y169 (= Y168), D170 (= D169), P171 (= P170), I173 (= I172), H201 (= H200), T202 (≠ V201), P203 (= P202), L211 (≠ M210)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
50% identity, 57% coverage: 2:301/527 of query aligns to 3:301/302 of 7ewhA

query
sites
7ewhA

K

K

V

V

L

L

V

I

A

S

S

D

N

S

I

L

A

D

K

P

E

C

A

C

I

R

E

K

L

I

L

L

K

Q

A

D

E

G

G

G

M

L

E

Q

V

V

D

V

V

E

R

K

A

Q

D

N

I

L

S

S

E

K

E

E

L

L

K

I

E

A

V

E

I

L

K

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

S

S

K

A

P

T

K

K

V

V

T

T

R

A

E

D

I

V

I

I

E

N

R

A

G

A

E

E

K

K

L

L

K

Q

I

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

V

L

D

E

A

A

T

T

E

R

R

K

G

G

I

I

I

L

V

V

V

M

N

N

A

T

P

P

G

N

G

G

N

N

T

S

I

L

S

S

T

A

A

A

E

E

L

L

T

T

M

C

G

G

L

M

I

I

I

M

S

C

A

L

A

A

R

R

K

Q

I

I

P

P

Q

Q

A

A

D

T

R

A

S

S

V

M

K

K

E

D

G

G

K

K

W

W

E

E

R

R

K

K

F

F

E

M

G

G

L

T

E

E

L

L

R

N

G

G

K

K

T

T

L

L

G

G

I

I

I
x
L

G
|
G

L
|
L

G
|
G

R
|
R

I
|
I

G
|
G

F

R

E

E

V

V

A

A

K

T

R

R

A

M

K

Q

S

S

F

F

E

G

M

M

R

K

V

T

I

I

A

G

Y

Y

D
|
D

P

P

Y

I

I

I

S

S

P

P

E

E

R

V

A

S

K

A

S

S

I

F

G

G

V

V

E

Q

L

Q

V

L

S

P

F

L

D

E

Y

E

L

I

I

W

E

P

N

L

S

C

D

D

I

F

I

I

T

T

V

V

H
|
H

V
x
T

P
|
P

K

L

T

L

K

P

E

S

T

T

E

T

K

G

M

L

I

L

S

N

Y

D

E

N

E

T

F

F

R

A

K

Q

M

C

K

K

D

K

N

G

V

V

I

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

L

L

Y

L

E

R

A

A

L

L

K

Q

S

S

G

G

K

Q

V

C

Y

A

M

G

A

A

L

L

D

D

V

V

Y

F

E

T

K

E

E

E

P

P

N

R

F

-

N

D

H

R

P

A

L

L

F

V

K

D

L

H

E

E

N

N

V

V

I

I

T

S

T

C

P

P

H

H

I

L

G

G

A

A

S

S

T

T

K

K

E

E

A

A

Q

Q

K

S

S

R

V

C

G

G

M

E

I

E

I

I

A

A

R

V

D

Q

I

F

I

V

N

D

L

M

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ I145), G147 (= G146), L148 (= L147), G149 (= G148), R150 (= R149), I151 (= I150), G152 (= G151), D170 (= D169), H201 (= H200), T202 (≠ V201), P203 (= P202)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
50% identity, 57% coverage: 2:301/527 of query aligns to 3:301/302 of 6rihA

query
sites
6rihA

K

K

V

V

L

L

V

I

A

S

S

D

N

S

I

L

A

D

K

P

E

C

A

C

I

R

E

K

L

I

L

L

K

Q

A

D

E

G

G

G

M

L

E

Q

V

V

D

V

V

E

R

K

A

Q

D

N

I

L

S

S

E

K

E

E

L

L

K

I

E

A

V

E

I

L

K

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

S

S

K

A

P

T

K

K

V

V

T

T

R

A

E

D

I

V

I

I

E

N

R

A

G

A

E

E

K

K

L

L

K

Q

I

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

V

L

D

E

A

A

T

T

E

R

R

K

G

G

I

I

I

L

V

V

V

M

N

N

A

T

P

P

G

N

G

G

N

N

T

S

I

L

S

S

T

A

A

A

E

E

L

L

T

T

M

C

G

G

L

M

I

I

I

M

S

C

A

L

A

A

R

R

K

Q

I

I

P

P

Q

Q

A

A

D

T

R

A

S

S

V

M

K

K

E

D

G

G

K

K

W

W

E

E

R

R

K

K

F

F

E

M

G

G

L

T

E

E

L

L

R

N

G

G

K

K

T

T

L

L

G

G

I

I

I

L

G

G

L

L

G
|
G

R

R

I

I

G

G

F

R

E

E

V

V

A

A

K

T

R

R

A

M

K

Q

S

S

F

F

E

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

Y
x
I

I
|
I

S

S

P

P

E

E

R

V

A

S

K

A

S

S

I

F

G

G

V

V

E

Q

L

Q

V

L

S

P

F

L

D

E

Y

E

L

I

I

W

E

P

N

L

S

C

D

D

I

F

I

I

T

T

V

V

H

H

V
x
T

P
|
P

K

L

T

L

K

P

E

S

T

T

E

T

K

G

M
x
L

I

L

S

N

Y

D

E

N

E

T

F

F

R

A

K

Q

M

C

K

K

D

K

N

G

V

V

I

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

L

L

Y

L

E

R

A

A

L

L

K

Q

S

S

G

G

K

Q

V

C

Y

A

M

G

A

A

L

L

D

D

V

V

Y

F

E

T

K

E

E

E

P

P

N

R

F

-

N

D

H

R

P

A

L

L

F

V

K

D

L

H

E

E

N

N

V

V

I

I

T

S

T

C

P

P

H

H

I

L

G

G

A

A

S

S

T

T

K

K

E

E

A

A

Q

Q

K

S

S

R

V

C

G

G

M

E

I

E

I

I

A

A

R

V

D

Q

I

F

I

V

N

D

L

M

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G148), Y169 (= Y168), D170 (= D169), P171 (= P170), I172 (≠ Y171), I173 (= I172), T202 (≠ V201), P203 (= P202), L211 (≠ M210)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
51% identity, 57% coverage: 2:300/527 of query aligns to 2:299/299 of 6cwaA

query
sites
6cwaA

K

K

V

V

L

L

V

I

A

S

S

D

N

S

I

L

A

D

K

P

E

C

A

C

I

R

E

K

L

I

L

L

K

Q

A

D

E

G

G

G

M

L

E

Q

V

V

D

V

V

E

R

K

A

Q

D

N

I

L

S

S

E

K

E

E

L

L

K

I

E

A

V

E

I

L

K

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

S

S

K

A

P

T

K

K

V

V

T

T

R

A

E

D

I

V

I

I

E

N

R

A

G

A

E

E

K

K

L

L

K

Q

I

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

V

L

D

E

A

A

T

T

E

R

R

K

G

G

I

I

I

L

V

V

V

M

N

N

A

T

P

P

G

N

G

G

N
|
N

T

S

I

L

S

S

T
x
A

A

A

E

E

L

L

T

T

M

C

G

G

L

M

I

I

I

M

S

C

A

L

A

A

R

R

K

Q

I

I

P

P

Q

Q

A

A

D

T

R

A

S

S

V

M

K

K

E

D

G

G

K

K

W

W

E

E

R

R

K

K

F

F

E

M

G

G

L

T

E

E

L

L

R

N

G

G

K

K

T

T

L

L

G

G

I

I

I

L

G

G

L

L

G

G

R
|
R

I
|
I

G

G

F

R

E

E

V

V

A

A

K

T

R

R

A

M

K

Q

S

S

F

F

E

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

Y
x
I

I

I

S

S

P

P

E

E

R

V

A

S

K

A

S

S

I

F

G

G

V

V

E

Q

L

Q

V

L

S

P

F

L

D

E

Y

E

L

I

I

W

E

P

N

L

S

C

D

D

I

F

I

I

T

T

V

V

H
|
H

V
x
T

P
|
P

K

L

T

L

K

P

E

S

T
|
T

E

T

K

G

M

L

I

L

S

N

Y

D

E

N

E

T

F

F

R

A

K

Q

M

C

K

K

D

K

N

G

V

V

I

R

I

V

V

V

N

N

C
|
C

A
|
A

R
|
R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

L

L

Y

L

E

R

A

A

L

L

K

Q

S

S

G

G

K

Q

V

C

Y

A

M

G

A

A

L

L

D

D

V

V

Y

F

E

T

K

E

E

E

P

P

N

R

F

-

N

D

H

R

P

A

L

L

F

V

K

D

L

H

E

E

N

N

V

V

I

I

T

S

T

C

P

P

H
|
H

I

L

G
|
G

A

A

S

S

T

T

K

K

E

E

A

A

Q

Q

K

S

S

R

V

C

G

G

M

E

I

E

I

I

A

A

R

V

D

Q

I

F

I

V

N

D

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (= N96), A100 (≠ T100), R149 (= R149), I150 (= I150), Y168 (= Y168), D169 (= D169), P170 (= P170), I171 (≠ Y171), H200 (= H200), T201 (≠ V201), P202 (= P202), T207 (= T207), C228 (= C228), A229 (= A229), R230 (= R230), H277 (= H278), G279 (= G280)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
51% identity, 56% coverage: 2:295/527 of query aligns to 2:294/297 of 6rj3A

query
sites
6rj3A

K

K

V

V

L

L

V

I

A

S

S

D

N

S

I

L

A

D

K

P

E

C

A

C

I

R

E

K

L

I

L

L

K

Q

A

D

E

G

G

G

M

L

E

Q

V

V

D

V

V

E

R

K

A

Q

D

N

I

L

S

S

E

K

E

E

L

L

K

I

E

A

V

E

I

L

K

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

S

S

K

A

P

T

K

K

V

V

T

T

R

A

E

D

I

V

I

I

E

N

R

A

G

A

E

E

K

K

L

L

K

Q

I

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

V

L

D

E

A

A

T

T

E

R

R

K

G

G

I

I

I

L

V

V

V

M

N

N

A

T

P

P

G

N

G

G

N

N

T

S

I

L

S

S

T

A

A

A

E

E

L

L

T

T

M

C

G

G

L

M

I

I

I

M

S

C

A

L

A

A

R

R

K

Q

I

I

P

P

Q

Q

A

A

D

T

R

A

S

S

V

M

K

K

E

D

G

G

K

K

W

W

E

E

R

R

K

K

F

F

E

M

G

G

L

T

E

E

L

L

R

N

G

G

K

K

T

T

L

L

G

G

I

I

I
x
L

G

G

L

L

G

G

R

R

I

I

G

G

F

R

E

E

V

V

A

A

K

T

R

R

A

M

K

Q

S

S

F

F

E

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

Y
x
I

I
|
I

S

S

P

P

E

E

R

V

A

S

K

A

S

S

I

F

G

G

V

V

E

Q

L

Q

V

L

S

P

F

L

D

E

Y

E

L

I

I

W

E

P

N

L

S

C

D

D

I

F

I

I

T

T

V

V

H
|
H

V
x
T

P
|
P

K

L

T

L

K

P

E

S

T

T

E

T

K

G

M
x
L

I

L

S

N

Y

D

E

N

E

T

F

F

R

A

K

Q

M

C

K

K

D

K

N

G

V

V

I

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

L

L

Y

L

E

R

A

A

L

L

K

Q

S

S

G

G

K

Q

V

C

Y

A

M

G

A

A

L

L

D

D

V

V

Y

F

E

T

K

E

E

E

P

P

N

R

F

-

N

D

H

R

P

A

L

L

F

V

K

D

L

H

E

E

N

N

V

V

I

I

T

S

T

C

P

P

H

H

I

L

G

G

A

A

S

S

T

T

K

K

E

E

A

A

Q

Q

K

S

S

R

V

C

G

G

M

E

I

E

I

I

A

A

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ I145), Y168 (= Y168), D169 (= D169), P170 (= P170), I171 (≠ Y171), I172 (= I172), H200 (= H200), T201 (≠ V201), P202 (= P202), L210 (≠ M210)

6rj2A Crystal structure of phgdh in complex with compound 40 (see paper)
50% identity, 57% coverage: 3:301/527 of query aligns to 1:298/299 of 6rj2A

query
sites
6rj2A

V

V

L

L

V

I

A

S

S

D

N

S

I

L

A

D

K

P

E

C

A

C

I

R

E

K

L

I

L

L

K

Q

A

D

E

G

G

G

M

L

E

Q

V

V

D

V

V

E

R

K

A

Q

D

N

I

L

S

S

E

K

E

E

L

L

K

I

E

A

V

E

I

L

K

Q

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

S

S

K

A

P

T

K

K

V

V

T

T

R

A

E

D

I

V

I

I

E

N

R

A

G

A

E

E

K

K

L

L

K

Q

I

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

V

L

D

E

A

A

T

T

E

R

R

K

G

G

I

I

I

L

V

V

V

M

N

N

A

T

P

P

G

N

G

G

N

N

T

S

I

L

S

S

T

A

A

A

E

E

L

L

T

T

M

C

G

G

L

M

I

I

I

M

S

C

A

L

A

A

R

R

K

Q

I

I

P

P

Q

Q

A

A

D

T

R

A

S

S

V

M

K

K

E

D

G

G

K

K

W

W

E

E

R

R

K

K

F

F

E

M

G

G

L

T

E

E

L

L

R

N

G

G

K

K

T

T

L

L

G

G

I

I

I

L

G

G

L

L

G
|
G

R

R

I
|
I

G

G

F

R

E

E

V

V

A

A

K

T

R

R

A

M

K

Q

S

S

F

F

E

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

Y
x
I

I
|
I

S

S

P

P

E

E

R

V

A

S

K

A

S

S

I

F

G

G

V

V

E

Q

L

Q

V

L

S

P

F

L

D

E

Y

E

L

I

I

W

E

P

N

L

S

C

D

D

I

F

I

I

T

T

V

V

H
|
H

V
x
T

P

P

K

L

T

L

K

P

E

S

T

T

E

T

K

G

M
x
L

I

L

S

N

Y

D

E

N

E

T

F

F

R

A

K

Q

M

C

K

K

D

K

N

G

V

V

I

R

I

V

V

V

N

N

C

C

A

A

R
|
R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

L

L

Y

L

E

R

A

A

L

L

K

Q

S

S

G

G

K

Q

V

C

Y

A

M

G

A

A

L

L

D

D

V

V

Y

F

E

T

K

E

E

E

P

P

N

R

F

-

N

D

H

R

P

A

L

L

F

V

K

D

L

H

E

E

N

N

V

V

I

I

T

S

T

C

P

P

H

H

I

L

G

G

A

A

S

S

T

T

K

K

E

E

A

A

Q

Q

K

S

S

R

V

C

G

G

M

E

I

E

I

I

A

A

R

V

D

Q

I

F

I

V

N

D

L

M

binding ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide: G146 (= G148), I148 (= I150), Y166 (= Y168), D167 (= D169), P168 (= P170), I169 (≠ Y171), I170 (= I172), H198 (= H200), T199 (≠ V201), L208 (≠ M210), R228 (= R230)

6plfB Crystal structure of human phgdh complexed with compound 1 (see paper)
49% identity, 57% coverage: 2:301/527 of query aligns to 2:292/292 of 6plfB

query
sites
6plfB

K

K

V

V

L

L

V

I

A

S

S

D

N

S

I

L

A

D

K

P

E

C

A

C

I

R

E

K

L

I

L

L

K

Q

A

D

E

G

G

G

M

L

E

Q

V

V

D

V

V

E

R

K

A

Q

D

N

I

L

S

L

E

I

E

A

E

E

L

L

K

Q

E

-

V

-

I

-

K

-

D

D

Y

C

D

E

A

G

L

L

I

I

V

V

R

R

S

S

K

-

P

-

K

-

V

-

T

A

R

A

E

D

I

V

I

I

E

N

R

A

G

A

E

E

K

K

L

L

K

Q

I

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

I

V

D

D

V

L

D

E

A

A

T

T

E

R

R

K

G

G

I

I

I

L

V

V

V

M

N

N

A

T

P

P

G

N

G

G

N

N

T

S

I

L

S

S

T

A

A

A

E

E

L

L

T

T

M

C

G

G

L

M

I

I

I

M

S

C

A

L

A

A

R

R

K

Q

I

I

P

P

Q

Q

A

A

D

T

R

A

S

S

V

M

K

K

E

D

G

G

K

K

W

W

E

E

R

R

K

K

F

F

E

M

G

G

L

T

E

E

L

L

R

N

G

G

K

K

T

T

L

L

G

G

I

I

I

L

G

G

L

L

G

G

R
|
R

I

I

G

G

F

R

E

E

V

V

A

A

K

T

R

R

A

M

K

Q

S

S

F

F

E

G

M

M

R

K

V

T

I

I

A

G

Y
|
Y

D
|
D

P
|
P

Y

I

I
|
I

S

S

P

P

E

E

R

V

A

S

K

A

S

S

I

F

G

G

V

V

E

Q

L

Q

V

L

S

P

F
x
L

D

E

Y

E

L

I

I

W

E

P

N

L

S

C

D

D

I

F

I

I

T

T

V

V

H

H

V
x
T

P
|
P

K

L

T

L

K

P

E
x
S

T

T

E

T

K

G

M
x
L

I

L

S

N

Y

D

E

N

E

T

F

F

R

A

K

Q

M

C

K

K

D

K

N

G

V

V

I

R

I

V

V

V

N

N

C

C

A

A

R

R

G

G

I

I

V

V

D

D

E

E

D

G

A

A

L

L

Y

L

E

R

A

A

L

L

K

Q

S

S

G

G

K

Q

V

C

Y

A

M

G

A

A

L

L

D

D

V

V

Y

F

E

T

K

E

E

E

P

P

N

R

F

-

N

D

H

R

P

A

L

L

F

V

K

D

L

H

E

E

N

N

V

V

I

I

T

S

T

C

P

P

H

H

I

L

G

G

A

A

S

S

T

T

K

K

E

E

A

A

Q

Q

K

S

S

R

V

C

G

G

M

E

I

E

I

I

A

A

R

V

D

Q

I

F

I

V

N

D

L

M