SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011020641.1 NCBI__GCF_000007345.1:WP_011020641.1 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)
45% identity, 77% coverage: 2:404/523 of query aligns to 8:412/533 of O43175

query
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O43175

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T78 (≠ V71) binding NAD(+)
R135 (= R128) 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 148:149) binding NAD(+)
D175 (= D168) binding NAD(+)
T207 (= T200) binding NAD(+)
CAR 234:236 (= CAR 227:229) binding NAD(+)
D260 (= D253) binding NAD(+)
V261 (= V254) 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 (= HLGA 276:279) binding NAD(+)
A373 (≠ S366) to T: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs201553627
G377 (= G370) to S: in PHGDHD; results in a 2-fold decrease in enzyme activity with 3-phosphohydroxypyruvate, but no change in substrate affinity; dbSNP:rs267606948

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine
425 V → M: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs121907988
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)
39% identity, 96% coverage: 3:503/523 of query aligns to 4:505/526 of 3dc2A

query
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active site: N96 (= N95), R230 (= R229), D254 (= D253), E259 (= E258), H277 (= H276)
binding serine: Y458 (≠ H456), D460 (≠ N458), R461 (≠ K459), P462 (= P460), G463 (≠ N461), A464 (≠ V462), L465 (≠ I463), L484 (≠ V482)

3ddnB Crystal structure of hydroxypyruvic acid phosphate bound d-3- phosphoglycerate dehydrogenase in mycobacterium tuberculosis (see paper)
39% identity, 96% coverage: 3:503/523 of query aligns to 5:504/525 of 3ddnB

query
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3ddnB

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-

G

-

V

V

V

K

N

P

E

E

E

A

-

M

-

A

-

V

-

L

V

A

A

P

P

Y

W

I

L

R

D

L

L

A

V

E

R

L

K

M

L

G

G

K

V

I

L

A

A

G

G

Q

V

L

L

V

S

D

D

S

E

N

L

Y

P

E

V

K

S

V

L

E

S

I

V

G

Q

Y

V

N

R

G

G

E

E

I

L

S

A

G

A

K

E

D

E

T

V

R

E

P

V

L

L

T

R

V

L

S

S

A

A

L

L

K

R

G

G

L

L

L

F

E

S

M

A

A

V

L

I

G

-

A

-

G

E

V

V

N

T

Y

F

V

V

N

N

A

A

P

P

A

A

L

L

A

A

K

A

S

E

R

R

Q

G

I

V

A

T

V

A

V

E

E

I

S

C

K

K

S

A

E

S

S

E

A

S

E

P

E

N

Y

H

S

R

S

S

T

V

V

V

S

D

I

V

K

R

L

A

S

V

S

G

G

A

E

D

-

G

T

S

A

V

K

V

L

T

V

V

A

S

G

G

T

T

V

L

V

Y

G

G

D

P

E

Q

-

L

-

S

P

Q

K

K

I

I

V

V

S

Q

I

I

D

N

E

G

D

R

R

H

V

F

D

D

I

L

F

R

P

A

A

Q

G

G

R

I

M

N

I

L

F

I

A

I

K

H

H

Y

I

V

N

D

K

R

P

P

N

G

V

A

I

L

G

G

P

K

C

I

C

G

M

T

V

L

L

L

G

G

K

T

N

A

N

G

I

V

N

N

I

I

S

Q

G

A

M

A

Q

Q

V

L

G

S

R

E

S

D

E

A

V

E

G

G

G

P

V

G

T

A

M

T

M

I

V

L

L

L

N

R

V

L

D

D

T

Q

D

D

V

V

S

P

D

D

active site: N97 (= N95), R231 (= R229), D255 (= D253), E260 (= E258), H278 (= H276)
binding 2-oxo-3-(phosphonooxy)propanoic acid: R70 (= R68), V73 (= V71), N97 (= N95), A281 (= A279), Q287 (= Q285)

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
52% identity, 58% coverage: 2:302/523 of query aligns to 4:305/305 of 6plfA

query
sites
6plfA

K

K

V

V

L

L

V

I

S

S

D

D

S

S

L

L

S

D

N

P

E

C

G

C

L

R

E

K

I

I

L

L

K

Q

E

D

H

G

-

G

F

L

T

Q

V

V

D

V

V

E

N

K

T

Q

G

N

L

L

S

S

E

K

D

E

E

E

L

L

V

I

E

A

K

E

I

L

G

Q

E

D

Y

C

D

E

A

G

L

L

V

I

I

V

R

R

S

S

G

A

T

T

Q

K

V

V

T

T

Q

A

R

D

V

V

I

I

E

N

A

A

D

E

N

K

L

L

K

Q

I

V

V

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

D

E

A

A

T

T

K

R

K

K

G

G

I

I

I

L

V

V

A

M

N

N

A

T

P

P

E

N

G

G

N

N

M

S

I

L

S

S

A

A

E

E

H

L

T

T

I

C

G

G

M

M

M

I

M

M

A

C

M

L

S

A

R

R

N

Q

I

I

P

P

Q

Q

A

A

N

T

A

A

S

S

L

M

K

K

G

D

R

G

E

K

W

W

K

E

R

R

N

K

K

K

F

F

M

M

G

G

V

T

E

E

V

L

K

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

S

R

E

E

V

V

A

A

K

T

R

R

A

M

S

Q

G

S

L

F

E

G

M

M

N

K

L

T

M

I

G

G

Y
|
Y

D
|
D

P
|
P

F

I

I

I

S

S

E

P

K

E

R

V

A

S

M

A

E

S

L

F

G

G

V

V

K

Q

L

Q

A

L

T

P

V
x
L

N

E

E

E

I

I

S

W

K

P

E

L

A

C

D

D

Y

F

I

I

T

T

V

V

H
|
H

T
|
T

P
|
P

L

L

I

L

K

P

E

S

T

T

R

T

N

G

I
x
L

L

L

D

N

D

D

E

N

Q

T

F

F

D

A

L

Q

M

C

K

K

S

K

G

G

V

V

R

R

I

V

L

V

N

N

C

C

A

A

R

R

G

G

I

I

I

V

N

D

E

E

A

G

A

A

L

L

V

L

R

R

A

A

L

L

E

Q

S

S

G

G

K

Q

V

C

G

A

G

G

A

A

L

L

D

D

V

V

F

F

V

T

E

E

P

P

F

R

G

D

S

R

P

A

L

L

L

V

N

D

F

H

D

E

N

N

V

V

I

I

V

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

Q

K

E

E

A

A

Q

Q

V

S

N

R

V

C

A

G

I

E

D

E

I

I

A

A

K

V

E

Q

V

F

V

V

S

D

V

M

L

V

T

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 (= Y167), D171 (= D168), P172 (= P169), L189 (≠ V186), H202 (= H199), T203 (= T200), P204 (= P201), L212 (≠ I209)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
52% identity, 57% coverage: 2:300/523 of query aligns to 3:302/302 of 7ewhA

query
sites
7ewhA

K

K

V

V

L

L

V

I

S

S

D

D

S

S

L

L

S

D

N

P

E

C

G

C

L

R

E

K

I

I

L

L

K

Q

E

D

H

G

-

G

F

L

T

Q

V

V

D

V

V

E

N

K

T

Q

G

N

L

L

S

S

E

K

D

E

E

E

L

L

V

I

E

A

K

E

I

L

G

Q

E

D

Y

C

D

E

A

G

L

L

V

I

I

V

R

R

S

S

G

A

T

T

Q

K

V

V

T

T

Q

A

R

D

V

V

I

I

E

N

A

A

D

E

N

K

L

L

K

Q

I

V

V

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

D

E

A

A

T

T

K

R

K

K

G

G

I

I

I

L

V

V

A

M

N

N

A

T

P

P

E

N

G

G

N

N

M

S

I

L

S

S

A

A

E

E

H

L

T

T

I

C

G

G

M

M

M

I

M

M

A

C

M

L

S

A

R

R

N

Q

I

I

P

P

Q

Q

A

A

N

T

A

A

S

S

L

M

K

K

G

D

R

G

E

K

W

W

K

E

R

R

N

K

K

K

F

F

M

M

G

G

V

T

E

E

V

L

K

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

S

R

E

E

V

V

A

A

K

T

R

R

A

M

S

Q

G

S

L

F

E

G

M

M

N

K

L

T

M

I

G

G

Y

Y

D
|
D

P

P

F

I

I

I

S

S

E

P

K

E

R

V

A

S

M

A

E

S

L

F

G

G

V

V

K

Q

L

Q

A

L

T

P

V

L

N

E

E

E

I

I

S

W

K

P

E

L

A

C

D

D

Y

F

I

I

T

T

V

V

H
|
H

T
|
T

P
|
P

L

L

I

L

K

P

E

S

T

T

R

T

N

G

I

L

L

L

D

N

D

D

E

N

Q

T

F

F

D

A

L

Q

M

C

K

K

S

K

G

G

V

V

R

R

I

V

L

V

N

N

C

C

A

A

R

R

G

G

I

I

I

V

N

D

E

E

A

G

A

A

L

L

V

L

R

R

A

A

L

L

E

Q

S

S

G

G

K

Q

V

C

G

A

G

G

A

A

L

L

D

D

V

V

F

F

V

T

E

E

P

P

F

R

G

D

S

R

P

A

L

L

L

V

N

D

F

H

D

E

N

N

V

V

I

I

V

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

Q

K

E

E

A

A

Q

Q

V

S

N

R

V

C

A

G

I

E

D

E

I

I

A

A

K

V

E

Q

V

F

V

V

S

D

V

M

L

V

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ I144), G147 (= G145), L148 (= L146), G149 (= G147), R150 (= R148), I151 (= I149), G152 (= G150), D170 (= D168), H201 (= H199), T202 (= T200), P203 (= P201)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
52% identity, 57% coverage: 2:300/523 of query aligns to 3:302/302 of 6rihA

query
sites
6rihA

K

K

V

V

L

L

V

I

S

S

D

D

S

S

L

L

S

D

N

P

E

C

G

C

L

R

E

K

I

I

L

L

K

Q

E

D

H

G

-

G

F

L

T

Q

V

V

D

V

V

E

N

K

T

Q

G

N

L

L

S

S

E

K

D

E

E

E

L

L

V

I

E

A

K

E

I

L

G

Q

E

D

Y

C

D

E

A

G

L

L

V

I

I

V

R

R

S

S

G

A

T

T

Q

K

V

V

T

T

Q

A

R

D

V

V

I

I

E

N

A

A

D

E

N

K

L

L

K

Q

I

V

V

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

D

E

A

A

T

T

K

R

K

K

G

G

I

I

I

L

V

V

A

M

N

N

A

T

P

P

E

N

G

G

N

N

M

S

I

L

S

S

A

A

E

E

H

L

T

T

I

C

G

G

M

M

M

I

M

M

A

C

M

L

S

A

R

R

N

Q

I

I

P

P

Q

Q

A

A

N

T

A

A

S

S

L

M

K

K

G

D

R

G

E

K

W

W

K

E

R

R

N

K

K

K

F

F

M

M

G

G

V

T

E

E

V

L

K

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

S

R

E

E

V

V

A

A

K

T

R

R

A

M

S

Q

G

S

L

F

E

G

M

M

N

K

L

T

M

I

G

G

Y
|
Y

D
|
D

P
|
P

F
x
I

I
|
I

S

S

E

P

K

E

R

V

A

S

M

A

E

S

L

F

G

G

V

V

K

Q

L

Q

A

L

T

P

V

L

N

E

E

E

I

I

S

W

K

P

E

L

A

C

D

D

Y

F

I

I

T

T

V

V

H

H

T
|
T

P
|
P

L

L

I

L

K

P

E

S

T

T

R

T

N

G

I
x
L

L

L

D

N

D

D

E

N

Q

T

F

F

D

A

L

Q

M

C

K

K

S

K

G

G

V

V

R

R

I

V

L

V

N

N

C

C

A

A

R

R

G

G

I

I

I

V

N

D

E

E

A

G

A

A

L

L

V

L

R

R

A

A

L

L

E

Q

S

S

G

G

K

Q

V

C

G

A

G

G

A

A

L

L

D

D

V

V

F

F

V

T

E

E

P

P

F

R

G

D

S

R

P

A

L

L

L

V

N

D

F

H

D

E

N

N

V

V

I

I

V

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

Q

K

E

E

A

A

Q

Q

V

S

N

R

V

C

A

G

I

E

D

E

I

I

A

A

K

V

E

Q

V

F

V

V

S

D

V

M

L

V

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G147), Y169 (= Y167), D170 (= D168), P171 (= P169), I172 (≠ F170), I173 (= I171), T202 (= T200), P203 (= P201), L211 (≠ I209)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
52% identity, 57% coverage: 2:300/523 of query aligns to 3:302/303 of 6plgA

query
sites
6plgA

K

K

V

V

L

L

V

I

S

S

D

D

S

S

L

L

S

D

N

P

E

C

G

C

L

R

E

K

I

I

L

L

K

Q

E

D

H

G

-

G

F

L

T

Q

V

V

D

V

V

E

N

K

T

Q

G

N

L

L

S

S

E

K

D

E

E

E

L

L

V

I

E

A

K

E

I

L

G

Q

E

D

Y

C

D

E

A

G

L

L

V

I

I

V

R

R

S

S

G

A

T

T

Q

K

V

V

T

T

Q

A

R

D

V

V

I

I

E

N

A

A

D

E

N

K

L

L

K

Q

I

V

V

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

D

E

A

A

T

T

K

R

K

K

G

G

I

I

I

L

V

V

A

M

N

N

A

T

P

P

E

N

G

G

N

N

M

S

I

L

S

S

A

A

E

E

H

L

T

T

I

C

G

G

M

M

M

I

M

M

A

C

M

L

S

A

R

R

N

Q

I

I

P

P

Q

Q

A

A

N

T

A

A

S

S

L

M

K

K

G

D

R

G

E

K

W

W

K

E

R

R

N

K

K

K

F

F

M

M

G

G

V

T

E

E

V

L

K

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

S

R

E

E

V

V

A

A

K

T

R

R

A

M

S

Q

G

S

L

F

E

G

M

M

N

K

L

T

M

I

G

G

Y

Y

D
|
D

P
|
P

F
x
I

I
|
I

S

S

E

P

K

E

R

V

A

S

M

A

E

S

L

F

G

G

V

V

K

Q

L

Q

A

L

T

P

V

L

N

E

E

E

I

I

S

W

K

P

E

L

A

C

D

D

Y

F

I

I

T

T

V

V

H
|
H

T
|
T

P

P

L

L

I
x
L

K

P

E

S

T

T

R

T

N

G

I

L

L

L

D

N

D

D

E

N

Q

T

F

F

D

A

L

Q

M

C

K

K

S

K

G

G

V

V

R

R

I

V

L

V

N

N

C

C

A

A

R

R

G

G

I

I

I

V

N

D

E

E

A

G

A

A

L

L

V

L

R

R

A

A

L

L

E

Q

S

S

G

G

K

Q

V

C

G

A

G

G

A

A

L

L

D

D

V

V

F

F

V

T

E

E

P

P

F

R

G

D

S

R

P

A

L

L

L

V

N

D

F

H

D

E

N

N

V

V

I

I

V

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

Q

K

E

E

A

A

Q

Q

V

S

N

R

V

C

A

G

I

E

D

E

I

I

A

A

K

V

E

Q

V

F

V

V

S

D

V

M

L

V

binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G147), R150 (= R148), D170 (= D168), P171 (= P169), I172 (≠ F170), I173 (= I171), H201 (= H199), T202 (= T200), L205 (≠ I203)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
52% identity, 57% coverage: 2:299/523 of query aligns to 3:301/301 of 6rj5A

query
sites
6rj5A

K

K

V

V

L

L

V

I

S

S

D

D

S

S

L

L

S

D

N

P

E

C

G

C

L

R

E

K

I

I

L

L

K

Q

E

D

H

G

-

G

F

L

T

Q

V

V

D

V

V

E

N

K

T

Q

G

N

L

L

S

S

E

K

D

E

E

E

L

L

V

I

E

A

K

E

I

L

G

Q

E

D

Y

C

D

E

A

G

L

L

V

I

I

V

R

R

S

S

G

A

T

T

Q

K

V

V

T

T

Q

A

R

D

V

V

I

I

E

N

A

A

D

E

N

K

L

L

K

Q

I

V

V

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

D

E

A

A

T

T

K

R

K

K

G

G

I

I

I

L

V

V

A

M

N

N

A

T

P

P

E

N

G

G

N

N

M

S

I

L

S

S

A

A

E

E

H

L

T

T

I

C

G

G

M

M

M

I

M

M

A

C

M

L

S

A

R

R

N

Q

I

I

P

P

Q

Q

A

A

N

T

A

A

S

S

L

M

K

K

G

D

R

G

E

K

W

W

K

E

R

R

N

K

K

K

F

F

M

M

G

G

V

T

E

E

V

L

K

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

S

R

E

E

V

V

A

A

K

T

R

R

A

M

S

Q

G

S

L

F

E

G

M

M

N

K

L

T

M

I

G

G

Y
|
Y

D
|
D

P
|
P

F

I

I
|
I

S

S

E

P

K

E

R

V

A

S

M

A

E

S

L

F

G

G

V

V

K

Q

L

Q

A

L

T

P

V

L

N

E

E

E

I

I

S

W

K

P

E

L

A

C

D

D

Y

F

I

I

T

T

V

V

H
|
H

T
|
T

P
|
P

L

L

I

L

K

P

E

S

T

T

R

T

N

G

I
x
L

L

L

D

N

D

D

E

N

Q

T

F

F

D

A

L

Q

M

C

K

K

S

K

G

G

V

V

R

R

I

V

L

V

N

N

C

C

A

A

R

R

G

G

I

I

I

V

N

D

E

E

A

G

A

A

L

L

V

L

R

R

A

A

L

L

E

Q

S

S

G

G

K

Q

V

C

G

A

G

G

A

A

L

L

D

D

V

V

F

F

V

T

E

E

P

P

F

R

G

D

S

R

P

A

L

L

L

V

N

D

F

H

D

E

N

N

V

V

I

I

V

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

Q

K

E

E

A

A

Q

Q

V

S

N

R

V

C

A

G

I

E

D

E

I

I

A

A

K

V

E

Q

V

F

V

V

S

D

V

M

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ I144), Y169 (= Y167), D170 (= D168), P171 (= P169), I173 (= I171), H201 (= H199), T202 (= T200), P203 (= P201), L211 (≠ I209)

7dkmA Phgdh covalently linked to oridonin (see paper)
52% identity, 57% coverage: 2:300/523 of query aligns to 4:303/306 of 7dkmA

query
sites
7dkmA

K

K

V

V

L

L

V

I

S

S

D

D

S

S

L

L

S

D

N

P

E
x
C

G

C

L

R

E
x
K

I
|
I

L

L

K

Q

E

D

H

G

-

G

F

L

T

Q

V

V

D

V

V

E

N

K

T

Q

G

N

L

L

S

S

E

K

D

E

E

E

L

L

V

I

E

A

K

E

I

L

G

Q

E

D

Y

C

D

E

A

G

L

L

V

I

I

V

R

R

S

S

G

A

T

T

Q

K

V

V

T

T

Q

A

R

D

V

V

I

I

E

N

A

A

D

E

N

K

L

L

K

Q

I

V

V

V

G

G

R

R

A

A

G

G

V
x
T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

D

E

A

A

T

T

K

R

K

K

G

G

I

I

I

L

V

V

A

M

N

N

A

T

P

P

E

N

G

G

N

N

M

S

I

L

S

S

A
|
A

A

A

E

E

H

L

T

T

I

C

G

G

M

M

M

I

M

M

A

C

M

L

S

A

R

R

N

Q

I

I

P

P

Q

Q

A

A

N

T

A

A

S

S

L

M

K

K

G

D

R

G

E

K

W

W

K

E

R

R

N

K

K

K

F

F

M

M

G

G

V

T

E

E

V

L

K

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

S

R

E

E

V

V

A

A

K

T

R

R

A

M

S

Q

G

S

L

F

E

G

M

M

N

K

L

T

M

I

G

G

Y
|
Y

D
|
D

P
|
P

F
x
I

I

I

S

S

E

P

K

E

R

V

A

S

M

A

E

S

L

F

G

G

V

V

K

Q

L

Q

A

L

T

P

V

L

N

E

E

E

I

I

S

W

K

P

E

L

A

C

D

D

Y

F

I

I

T

T

V

V

H
|
H

T
|
T

P
|
P

L

L

I

L

K

P

E

S

T
|
T

R

T

N

G

I

L

L

L

D

N

D

D

E

N

Q

T

F

F

D

A

L

Q

M

C

K

K

S

K

G

G

V

V

R

R

I

V

L

V

N

N

C
|
C

A
|
A

R
|
R

G

G

I

I

I

V

N

D

E

E

A

G

A

A

L

L

V

L

R

R

A

A

L

L

E

Q

S

S

G

G

K

Q

V

C

G

A

G

G

A

A

L

L

D

D

V

V

F

F

V

T

E

E

P

P

F

R

G

D

S

R

P

A

L

L

L

V

N

D

F

H

D

E

N

N

V

V

I

I

V

S

T

C

P

P

H
|
H

L

L

G
|
G

A

A

S

S

T

T

Q

K

E

E

A

A

Q

Q

V

S

N

R

V

C

A

G

I
x
E

D

E

I

I

A

A

K

V

E

Q

V

F

V

V

S

D

V

M

L

V

binding nicotinamide-adenine-dinucleotide: T74 (≠ V71), A102 (= A99), G148 (= G145), R151 (= R148), I152 (= I149), Y170 (= Y167), D171 (= D168), P172 (= P169), I173 (≠ F170), H202 (= H199), T203 (= T200), P204 (= P201), T209 (= T206), C230 (= C227), A231 (= A228), R232 (= R229), H279 (= H276), G281 (= G278)
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 (= I16), E293 (≠ I290)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
53% identity, 57% coverage: 2:297/523 of query aligns to 2:298/299 of 6cwaA

query
sites
6cwaA

K

K

V

V

L

L

V

I

S

S

D

D

S

S

L

L

S

D

N

P

E

C

G

C

L

R

E

K

I

I

L

L

K

Q

E

D

H

G

-

G

F

L

T

Q

V

V

D

V

V

E

N

K

T

Q

G

N

L

L

S

S

E

K

D

E

E

E

L

L

V

I

E

A

K

E

I

L

G

Q

E

D

Y

C

D

E

A

G

L

L

V

I

I

V

R

R

S

S

G

A

T

T

Q

K

V

V

T

T

Q

A

R

D

V

V

I

I

E

N

A

A

D

E

N

K

L

L

K

Q

I

V

V

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

D

E

A

A

T

T

K

R

K

K

G

G

I

I

I

L

V

V

A

M

N

N

A

T

P

P

E

N

G

G

N
|
N

M

S

I

L

S

S

A
|
A

A

A

E

E

H

L

T

T

I

C

G

G

M

M

M

I

M

M

A

C

M

L

S

A

R

R

N

Q

I

I

P

P

Q

Q

A

A

N

T

A

A

S

S

L

M

K

K

G

D

R

G

E

K

W

W

K

E

R

R

N

K

K

K

F

F

M

M

G

G

V

T

E

E

V

L

K

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

S

R

E

E

V

V

A

A

K

T

R

R

A

M

S

Q

G

S

L

F

E

G

M

M

N

K

L

T

M

I

G

G

Y
|
Y

D
|
D

P
|
P

F
x
I

I

I

S

S

E

P

K

E

R

V

A

S

M

A

E

S

L

F

G

G

V

V

K

Q

L

Q

A

L

T

P

V

L

N

E

E

E

I

I

S

W

K

P

E

L

A

C

D

D

Y

F

I

I

T

T

V

V

H
|
H

T
|
T

P
|
P

L

L

I

L

K

P

E

S

T
|
T

R

T

N

G

I

L

L

L

D

N

D

D

E

N

Q

T

F

F

D

A

L

Q

M

C

K

K

S

K

G

G

V

V

R

R

I

V

L

V

N

N

C
|
C

A
|
A

R
|
R

G

G

I

I

I

V

N

D

E

E

A

G

A

A

L

L

V

L

R

R

A

A

L

L

E

Q

S

S

G

G

K

Q

V

C

G

A

G

G

A

A

L

L

D

D

V

V

F

F

V

T

E

E

P

P

F

R

G

D

S

R

P

A

L

L

L

V

N

D

F

H

D

E

N

N

V

V

I

I

V

S

T

C

P

P

H
|
H

L

L

G
|
G

A

A

S

S

T

T

Q

K

E

E

A

A

Q

Q

V

S

N

R

V

C

A

G

I

E

D

E

I

I

A

A

K

V

E

Q

V

F

V

V

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (= N95), A100 (= A99), R149 (= R148), I150 (= I149), Y168 (= Y167), D169 (= D168), P170 (= P169), I171 (≠ F170), H200 (= H199), T201 (= T200), P202 (= P201), T207 (= T206), C228 (= C227), A229 (= A228), R230 (= R229), H277 (= H276), G279 (= G278)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
53% identity, 56% coverage: 2:293/523 of query aligns to 2:294/297 of 6rj3A

query
sites
6rj3A

K

K

V

V

L

L

V

I

S

S

D

D

S

S

L

L

S

D

N

P

E

C

G

C

L

R

E

K

I

I

L

L

K

Q

E

D

H

G

-

G

F

L

T

Q

V

V

D

V

V

E

N

K

T

Q

G

N

L

L

S

S

E

K

D

E

E

E

L

L

V

I

E

A

K

E

I

L

G

Q

E

D

Y

C

D

E

A

G

L

L

V

I

I

V

R

R

S

S

G

A

T

T

Q

K

V

V

T

T

Q

A

R

D

V

V

I

I

E

N

A

A

D

E

N

K

L

L

K

Q

I

V

V

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

D

E

A

A

T

T

K

R

K

K

G

G

I

I

I

L

V

V

A

M

N

N

A

T

P

P

E

N

G

G

N

N

M

S

I

L

S

S

A

A

E

E

H

L

T

T

I

C

G

G

M

M

M

I

M

M

A

C

M

L

S

A

R

R

N

Q

I

I

P

P

Q

Q

A

A

N

T

A

A

S

S

L

M

K

K

G

D

R

G

E

K

W

W

K

E

R

R

N

K

K

K

F

F

M

M

G

G

V

T

E

E

V

L

K

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

S

R

E

E

V

V

A

A

K

T

R

R

A

M

S

Q

G

S

L

F

E

G

M

M

N

K

L

T

M

I

G

G

Y
|
Y

D
|
D

P
|
P

F
x
I

I
|
I

S

S

E

P

K

E

R

V

A

S

M

A

E

S

L

F

G

G

V

V

K

Q

L

Q

A

L

T

P

V

L

N

E

E

E

I

I

S

W

K

P

E

L

A

C

D

D

Y

F

I

I

T

T

V

V

H
|
H

T
|
T

P
|
P

L

L

I

L

K

P

E

S

T

T

R

T

N

G

I
x
L

L

L

D

N

D

D

E

N

Q

T

F

F

D

A

L

Q

M

C

K

K

S

K

G

G

V

V

R

R

I

V

L

V

N

N

C

C

A

A

R

R

G

G

I

I

I

V

N

D

E

E

A

G

A

A

L

L

V

L

R

R

A

A

L

L

E

Q

S

S

G

G

K

Q

V

C

G

A

G

G

A

A

L

L

D

D

V

V

F

F

V

T

E

E

P

P

F

R

G

D

S

R

P

A

L

L

L

V

N

D

F

H

D

E

N

N

V

V

I

I

V

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

Q

K

E

E

A

A

Q

Q

V

S

N

R

V

C

A

G

I

E

D

E

I

I

A

A

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ I144), Y168 (= Y167), D169 (= D168), P170 (= P169), I171 (≠ F170), I172 (= I171), H200 (= H199), T201 (= T200), P202 (= P201), L210 (≠ I209)

6rj2A Crystal structure of phgdh in complex with compound 40 (see paper)
52% identity, 57% coverage: 3:300/523 of query aligns to 1:299/299 of 6rj2A

query
sites
6rj2A

V

V

L

L

V

I

S

S

D

D

S

S

L

L

S

D

N

P

E

C

G

C

L

R

E

K

I

I

L

L

K

Q

E

D

H

G

-

G

F

L

T

Q

V

V

D

V

V

E

N

K

T

Q

G

N

L

L

S

S

E

K

D

E

E

E

L

L

V

I

E

A

K

E

I

L

G

Q

E

D

Y

C

D

E

A

G

L

L

V

I

I

V

R

R

S

S

G

A

T

T

Q

K

V

V

T

T

Q

A

R

D

V

V

I

I

E

N

A

A

D

E

N

K

L

L

K

Q

I

V

V

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

D

E

A

A

T

T

K

R

K

K

G

G

I

I

I

L

V

V

A

M

N

N

A

T

P

P

E

N

G

G

N

N

M

S

I

L

S

S

A

A

E

E

H

L

T

T

I

C

G

G

M

M

M

I

M

M

A

C

M

L

S

A

R

R

N

Q

I

I

P

P

Q

Q

A

A

N

T

A

A

S

S

L

M

K

K

G

D

R

G

E

K

W

W

K

E

R

R

N

K

K

K

F

F

M

M

G

G

V

T

E

E

V

L

K

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

S

R

E

E

V

V

A

A

K

T

R

R

A

M

S

Q

G

S

L

F

E

G

M

M

N

K

L

T

M

I

G

G

Y
|
Y

D
|
D

P
|
P

F
x
I

I
|
I

S

S

E

P

K

E

R

V

A

S

M

A

E

S

L

F

G

G

V

V

K

Q

L

Q

A

L

T

P

V

L

N

E

E

E

I

I

S

W

K

P

E

L

A

C

D

D

Y

F

I

I

T

T

V

V

H
|
H

T
|
T

P

P

L

L

I

L

K

P

E

S

T

T

R

T

N

G

I
x
L

L

L

D

N

D

D

E

N

Q

T

F

F

D

A

L

Q

M

C

K

K

S

K

G

G

V

V

R

R

I

V

L

V

N

N

C

C

A

A

R
|
R

G

G

I

I

I

V

N

D

E

E

A

G

A

A

L

L

V

L

R

R

A

A

L

L

E

Q

S

S

G

G

K

Q

V

C

G

A

G

G

A

A

L

L

D

D

V

V

F

F

V

T

E

E

P

P

F

R

G

D

S

R

P

A

L

L

L

V

N

D

F

H

D

E

N

N

V

V

I

I

V

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

Q

K

E

E

A

A

Q

Q

V

S

N

R

V

C

A

G

I

E

D

E

I

I

A

A

K

V

E

Q

V

F

V

V

S

D

V

M

L

V

binding ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide: G146 (= G147), I148 (= I149), Y166 (= Y167), D167 (= D168), P168 (= P169), I169 (≠ F170), I170 (= I171), H198 (= H199), T199 (= T200), L208 (≠ I209), R228 (= R229)

6plfB Crystal structure of human phgdh complexed with compound 1 (see paper)
50% identity, 57% coverage: 2:299/523 of query aligns to 2:292/292 of 6plfB

query
sites
6plfB

K

K

V

V

L

L

V

I

S

S

D

D

S

S

L

L

S

D

N

P

E

C

G

C

L

R

E

K

I

I

L

L

K

Q

E

D

H

G

F

G

T

L

V

Q

D

V

V

V

N

E

T

-

G

-

L

-

S

K

E

Q

D

N

E

L

L

L

V

I

E

A

K

E

I

L

G

Q

E

D

Y

C

D

E

A

G

L

L

V

I

I

V

R

R

S

S

G

A

T

A

Q

D

V

V

T

-

Q

-

R

-

V

-

I

I

E

N

A

A

D

E

N

K

L

L

K

Q

I

V

V

V

G

G

R

R

A

A

G

G

V

T

G

G

V

V

D

D

N

N

V

V

D

D

V

L

D

E

A

A

T

T

K

R

K

K

G

G

I

I

I

L

V

V

A

M

N

N

A

T

P

P

E

N

G

G

N

N

M

S

I

L

S

S

A

A

E

E

H

L

T

T

I

C

G

G

M

M

M

I

M

M

A

C

M

L

S

A

R

R

N

Q

I

I

P

P

Q

Q

A

A

N

T

A

A

S

S

L

M

K

K

G

D

R

G

E

K

W

W

K

E

R

R

N

K

K

K

F

F

M

M

G

G

V

T

E

E

V

L

K

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

S

R

E

E

V

V

A

A

K

T

R

R

A

M

S

Q

G

S

L

F

E

G

M

M

N

K

L

T

M

I

G

G

Y
|
Y

D
|
D

P
|
P

F

I

I
|
I

S

S

E

P

K

E

R

V

A

S

M

A

E

S

L

F

G

G

V

V

K

Q

L

Q

A

L

T

P

V
x
L

N

E

E

E

I

I

S

W

K

P

E

L

A

C

D

D

Y

F

I

I

T

T

V

V

H

H

T
|
T

P
|
P

L

L

I

L

K

P

E
x
S

T

T

R

T

N

G

I
x
L

L

L

D

N

D

D

E

N

Q

T

F

F

D

A

L

Q

M

C

K

K

S

K

G

G

V

V

R

R

I

V

L

V

N

N

C

C

A

A

R

R

G

G

I

I

I

V

N

D

E

E

A

G

A

A

L

L

V

L

R

R

A

A

L

L

E

Q

S

S

G

G

K

Q

V

C

G

A

G

G

A

A

L

L

D

D

V

V

F

F

V

T

E

E

P

P

F

R

G

D

S

R

P

A

L

L

L

V

N

D

F

H

D

E

N

N

V

V

I

I

V

S

T

C

P

P

H

H

L

L

G

G

A

A

S

S

T

T

Q

K

E

E

A

A

Q

Q

V

S

N

R

V

C

A

G

I

E

D

E

I

I

A

A

K

V

E

Q

V

F

V

V

S

D

V

M

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: R141 (= R148), Y160 (= Y167), D161 (= D168), P162 (= P169), I164 (= I171), L179 (≠ V186), T193 (= T200), P194 (= P201), S198 (≠ E205), L202 (≠ I209)

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
44% identity, 58% coverage: 1:302/523 of query aligns to 1:304/304 of 1wwkA

query
sites
1wwkA

M

M

K

K

V

V

L

L

V

V

S

A

D

A

S

P

L

L

S

H

N

E

E

K

G

A

L

I

E

Q

I

V

L

L

K

K

E

D

H

A

-

G

F

L

T

E

V

V

D

I

V

Y