SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_103234120.1 NCBI__GCF_002899945.2:WP_103234120.1 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)

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
41% identity, 98% coverage: 2:322/328 of query aligns to 4:325/334 of 5aovA

query
sites
5aovA

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active site: L100 (= L99), R241 (= R237), D265 (= D261), E270 (= E266), H288 (= H285)
binding glyoxylic acid: M52 (≠ V50), L53 (≠ G51), L53 (≠ G51), Y74 (= Y73), A75 (≠ S74), V76 (= V75), G77 (= G76), R241 (= R237), H288 (= H285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (= V75), T104 (= T103), F158 (≠ L153), G159 (= G154), R160 (= R155), I161 (= I156), S180 (≠ N176), R181 (= R177), A211 (≠ H207), V212 (≠ A208), P213 (≠ N209), T218 (≠ H214), I239 (≠ T235), A240 (= A236), R241 (= R237), H288 (= H285), G290 (= G287)

Q9UBQ7 Glyoxylate reductase/hydroxypyruvate reductase; EC 1.1.1.79; EC 1.1.1.81 from Homo sapiens (Human) (see paper)
39% identity, 96% coverage: 1:315/328 of query aligns to 7:323/328 of Q9UBQ7

query
sites
Q9UBQ7

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VG 83:84 (= VG 75:76) binding substrate
GRI 162:164 (= GRI 154:156) binding NADP(+)
RQPR 185:188 (≠ RNHN 177:180) binding NADP(+)
S217 (≠ N209) binding NADP(+)
I243 (≠ T235) binding NADP(+)
R245 (= R237) binding substrate
D269 (= D261) binding substrate
HIGS 293:296 (= HIGS 285:288) binding substrate
G295 (= G287) binding NADP(+)

2gcgA Ternary crystal structure of human glyoxylate reductase/hydroxypyruvate reductase (see paper)
39% identity, 96% coverage: 1:315/328 of query aligns to 3:319/324 of 2gcgA

query
sites
2gcgA

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active site: L103 (= L99), R241 (= R237), D265 (= D261), E270 (= E266), H289 (= H285)
binding (2r)-2,3-dihydroxypropanoic acid: L55 (≠ G51), S78 (= S74), V79 (= V75), G80 (= G76), R241 (= R237), H289 (= H285)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V79 (= V75), T107 (= T103), G156 (= G152), G158 (= G154), I160 (= I156), G180 (≠ N176), R181 (= R177), R184 (≠ N180), C212 (≠ A208), S213 (≠ N209), T218 (≠ H214), I239 (≠ T235), R241 (= R237), D265 (= D261), H289 (= H285), G291 (= G287)

6biiA Crystal structure of pyrococcus yayanosii glyoxylate hydroxypyruvate reductase in complex with NADP and malonate (re-refinement of 5aow) (see paper)
40% identity, 98% coverage: 2:322/328 of query aligns to 3:324/332 of 6biiA

query
sites
6biiA

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V

K

S

P

F

L

E

E

E

E

L

L

I

L

K

R

N

E

S

S

D

D

V

F

L

V

S

V

V

L

H

A

A
x
V

N
x
P

F

L

T

T

P

K

E
|
E

H
x
T

K

Y

E

H

V

M

F

I

N

N

Y

E

S

E

L

R

F

L

E

R

Q

L

M

M

K

K

P

P

D

T

S

A

I

V

F

L

I

V

N

N

T
x
V

A
|
A

R
|
R

G

G

G

K

F

V

H

V

N

D

Q

T

K

K

D

A

L

L

Y

I

Q

R

A

A

L

L

V

K

D

E

K

G

K

W

I

I

W

A

G

A

A

A

G

G

L

L

D
|
D

V

V

T

F

N

E

P

E

E
|
E

P

P

M

Y

S

-

S

Y

D

D

D

E

P

E

I

L

L

F

G

A

L

L

S

D

S

N

V

V

C

V

I

L

L

T

P

P

H
|
H

I

I

G
|
G

S

S

A

A

T

T

V

F

E

G

A

A

R

R

N

E

G

G

M

M

A

A

R

E

L

L

A

V

A

A

G

K

N

N

I

L

I

I

A

A

F

F

S

K

K

N

N

G

E

E

K

V

M

P

P

P

Y

T

C

L

A

V

N

N

P

R

D

E

V

V

active site: L99 (= L99), R240 (= R237), D264 (= D261), E269 (= E266), H287 (= H285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V75 (= V75), T103 (= T103), G156 (= G152), F157 (≠ L153), G158 (= G154), R159 (= R155), I160 (= I156), A179 (≠ N176), R180 (= R177), S181 (≠ N178), K183 (≠ N180), V211 (≠ A208), P212 (≠ N209), E216 (= E213), T217 (≠ H214), V238 (≠ T235), A239 (= A236), R240 (= R237), D264 (= D261), H287 (= H285), G289 (= G287)

2dbqA Crystal structure of glyoxylate reductase (ph0597) from pyrococcus horikoshii ot3, complexed with NADP (i41) (see paper)
40% identity, 98% coverage: 2:322/328 of query aligns to 4:325/333 of 2dbqA

query
sites
2dbqA

K

K

V

V

F

F

I

I

N

T

K

R

R

E

I

I

P

P

E

E

T

V

G

G

I

I

K

K

M

M

L

L

E

E

E

D

A

E

G

F

L

E

E

V

I

E

I

V

L

W

P

G

E

D

N

E

E

K

N

E

L

I

S

P

Y

R

E

E

E

I

W

L

L

L

G

K

Y

K

C

V

K

K

N

E

T

V

D

D

T

A

I

L

L

V

N

T

V

M

G

L

G

S

D

E

F

-

K

R

Y

I

D

D

K

K

K

E

F

V

F

F

D

E

A

N

C

A

P

P

N

K

V

L

K

R

A

I

I

V

A

A

L

N

Y

Y

S

A

V
|
V

G

G

F

Y

D

D

H

N

V

I

E

D

I

I

K

E

E

E

A

A

T

T

Q

K

R

R

H

G

I

I

P

Y

I

V

G

T

N

N

T

T

P

P

D

D

V

V

L
|
L

S

T

R

D

A

A

T
|
T

S

A

D

D

V

L

A

A

F

F

L

A

L

L

M

L

Q

L

S

A

V

T

A

A

R

R

R

H

A

V

S

V

Y

K

N

G

F

D

Q

R

K

F

V

V

K

R

D

S

G

G

N

E

W

W

N

K

-

K

-

R

-

G

-

V

A

A

F

W

D

H

P

P

L

K

H

W

A

F

L

L

G

G

Q

Y

E

D

L

V

Y

Y

G

G

K

K

T

T

L

I

G

G

I

I

F

I

G

G

L
|
L

G
|
G

R
|
R

I
|
I

G

G

Y

Q

E

A

M

I

A

A

E

K

K

R

S

A

K

K

K

-

A

G

F

F

G

N

M

M

N

R

I

I

I

L

Y

Y

H

Y

N
x
S

R
|
R

N
x
T

H

R

N

K

E

E

E

E

A

V

E

E

R

R

E

E

L

L

G

N

A

A

A

E

Y

F

V

K

S

P

F

L

E

E

E

D

L

L

I

L

K

R

N

E

S

S

D

D

V

F

L

V

S

V

V

L

H
x
A

A
x
V

N
x
P

F

L

T

T

P

R

E

E

H
x
T

K

Y

E

H

V

L

F

I

N

N

Y

E

S

E

L

R

F

L

E

K

Q

L

M

M

K

K

P

K

D

T

S

A

I

I

F

L

I

I

N

N

T
x
I

A
|
A

R
|
R

G

G

G

K

F

V

H

V

N

D

Q

T

K

N

D

A

L

L

Y

V

Q

K

A

A

L

L

V

K

D

E

K

G

K

W

I

I

W

A

G

G

A

A

G

G

L

L

D
|
D

V

V

T

F

N

E

P

E

E
|
E

P

P

M

Y

S

Y

S

N

D

E

D

E

P

-

I

L

L

F

G

K

L

L

S

D

S

N

V

V

C

V

I

L

L

T

P

P

H
|
H

I

I

G
|
G

S

S

A

A

T

S

V

F

E

G

A

A

R

R

N

E

G

G

M

M

A

A

R

E

L

L

A

V

A

A

G

K

N

N

I

L

I

I

A

A

F

F

S

K

K

R

N

G

E

E

K

I

M

P

P

P

Y

T

C

L

A

V

N

N

P

R

D

E

V

V

active site: L100 (= L99), R241 (= R237), D265 (= D261), E270 (= E266), H288 (= H285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (= V75), T104 (= T103), L158 (= L153), G159 (= G154), R160 (= R155), I161 (= I156), S180 (≠ N176), R181 (= R177), T182 (≠ N178), A211 (≠ H207), V212 (≠ A208), P213 (≠ N209), T218 (≠ H214), I239 (≠ T235), A240 (= A236), R241 (= R237), D265 (= D261), H288 (= H285), G290 (= G287)

O58320 Glyoxylate reductase; EC 1.1.1.26 from Pyrococcus horikoshii (strain ATCC 700860 / DSM 12428 / JCM 9974 / NBRC 100139 / OT-3)
40% identity, 98% coverage: 2:322/328 of query aligns to 4:325/334 of O58320

query
sites
O58320

K

K

V

V

F

F

I

I

N

T

K

R

R

E

I

I

P

P

E

E

T

V

G

G

I

I

K

K

M

M

L

L

E

E

E

D

A

E

G

F

L

E

E

V

I

E

I

V

L

W

P

G

E

D

N

E

E

K

N

E

L

I

S

P

Y

R

E

E

E

I

W

L

L

L

G

K

Y

K

C

V

K

K

N

E

T

V

D

D

T

A

I

L

L

V

N

T

V

M

G

L

G

S

D

E

F

-

K

R

Y

I

D

D

K

K

K

E

F

V

F

F

D

E

A

N

C

A

P

P

N

K

V

L

K

R

A

I

I

V

A

A

L

N

Y

Y

S

A

V

V

G

G

F

Y

D

D

H

N

V

I

E

D

I

I

K

E

E

E

A

A

T

T

Q

K

R

R

H

G

I

I

P

Y

I

V

G

T

N

N

T

T

P

P

D

D

V

V

L

L

S

T

R

D

A

A

T

T

S

A

D

D

V

L

A

A

F

F

L

A

L

L

M

L

Q

L

S

A

V

T

A

A

R

R

R

H

A

V

S

V

Y

K

N

G

F

D

Q

R

K

F

V

V

K

R

D

S

G

G

N

E

W

W

N

K

-

K

-

R

-

G

-

V

A

A

F

W

D

H

P

P

L

K

H

W

A

F

L

L

G

G

Q

Y

E

D

L

V

Y

Y

G

G

K

K

T

T

L

I

G

G

I

I

F

I

G

G

L
|
L

G
|
G

R
|
R

I
|
I

G

G

Y

Q

E

A

M

I

A

A

E

K

K

R

S

A

K

K

K

-

A

G

F

F

G

N

M

M

N

R

I

I

I

L

Y

Y

H

Y

N
x
S

R
|
R

N
x
T

H

R

N

K

E

E

E

E

A

V

E

E

R

R

E

E

L

L

G

N

A

A

A

E

Y

F

V

K

S

P

F

L

E

E

E

D

L

L

I

L

K

R

N

E

S

S

D

D

V

F

L

V

S

V

V

L

H

A

A

V

N

P

F

L

T

T

P

R

E

E

H

T

K

Y

E

H

V

L

F

I

N

N

Y

E

S

E

L

R

F

L

E

K

Q

L

M

M

K

K

P

K

D

T

S

A

I

I

F

L

I

I

N

N

T
x
I

A
|
A

R
|
R

G

G

G

K

F

V

H

V

N

D

Q

T

K

N

D

A

L

L

Y

V

Q

K

A

A

L

L

V

K

D

E

K

G

K

W

I

I

W

A

G

G

A

A

G

G

L

L

D

D

V

V

T

F

N

E

P

E

E

E

P

P

M

Y

S

Y

S

N

D

E

D

E

P

-

I

L

L

F

G

K

L

L

S

D

S

N

V

V

C

V

I

L

L

T

P

P

H
|
H

I
|
I

G
|
G

S

S

A

A

T

S

V

F

E

G

A

A

R

R

N

E

G

G

M

M

A

A

R

E

L

L

A

V

A

A

G

K

N

N

I

L

I

I

A

A

F

F

S

K

K

R

N

G

E

E

K

I

M

P

P

P

Y

T

C

L

A

V

N

N

P

R

D

E

V

V

LGRI 158:161 (= LGRI 153:156) binding NADP(+)
SRT 180:182 (≠ NRN 176:178) binding NADP(+)
IAR 239:241 (≠ TAR 235:237) binding NADP(+)
HIG 288:290 (= HIG 285:287) binding NADP(+)

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
34% identity, 95% coverage: 1:310/328 of query aligns to 1:303/304 of 1wwkA

query
sites
1wwkA

M

M

K

K

V

V

F

L

I

V

N

A

K

A

R

P

I

L

P

H

E

E

T

K

G

A

I

I

K

Q

M

V

L

L

E

K

E

D

A

A

G

G

L

L

E

E

I

V

I

I

L

-

P

-

E

-

N

-

E

-

N

-

L

-

S

-

Y

Y

E

E

E

E

W

Y

-

P

-

D

-

E

-

D

-

R

-

L

L

V

G

E

Y

L

C

V

K

K

N

D

T

V

D

E

T

A

I

I

L

I

N

-

V

V

G

R

G

S

D

K

F

P

K

K

Y

V

D

T

K

R

K

R

F

V

F

I

D

E

A

S

C

A

P

P

N

K

V

L

K

K

A

V

I

I

A

A

L

R

Y

A

S

G

V

V

G

G

F

L

D

D

H

N

V

I

E

D

I

V

K

E

E

A

A

A

T

K

Q

E

R

K

H

G

I

I

P

E

I

V

G

V

N

N

T

A

P

P

D

A

V

A

L
x
S

S

S

R

R

A

S

T
x
V

S

A

D

E

V

L

A

A

F

V

L

G

L

L

M

M

Q

F

S

S

V

V

A

A

R

R

R

K

A

I

S

A

Y

F

N

A

F

D

Q

R

K

K

V

M

K

R

D

E

G

G

N

V

W

W

N

A

A

K

F

K

D

E

P

-

L

-

H

-

A

A

L

M

G

G

Q

I

E

E

L

L

Y

E

G

G

K

K

T

T

L

I

G

G

I

I

F

I

G
|
G

L
x
F

G
|
G

R
|
R

I
|
I

G

G

Y

Y

E

Q

M

V

A

A

E

-

K

K

S

I

K

A

K

N

A

A

F

L

G

G

M

M

N

N

I

I

I

L

Y

L

H
x
Y

N
x
D

R
x
P

N

Y

H

P

N

N

E

E

E

E

A

R

E

A

R

K

E

E

L

V

G

N

A

G

A

K

Y

F

V

V

S

D

F

L

E

E

E

T

L

L

I

L

K

K

N

E

S

S

D

D

V

V

L

V

S

T

V

I

H

H

A
x
V

N
x
P

F

L

T

V

P

E

E

S

H
x
T

K

Y

E

H

V

L

F

I

N

N

Y

E

S

E

L

R

F

L

E

K

Q

L

M

M

K

K

P

K

D

T

S

A

I

I

F

L

I

I

N

N

T
|
T

A
x
S

R
|
R

G

G

G

P

F

V

H

V

N

D

Q

T

K

N

D

A

L

L

Y

V

Q

K

A

A

L

L

V

K

D

E

K

G

K

W

I

I

W

A

G

G

A

A

G

G

L

L

D
|
D

V

V

T

F

N

E

P

E

E
|
E

P

P

M

L

S

P

S

K

D

D

D

H

P

P

I

L

L

T

G

K

L

F

S

D

S

N

V

V

C

V

I

L

L

T

P

P

H
|
H

I

I

G
|
G

S

A

A

S

T

T

V

V

E

E

A

A

R

Q

N

E

G

R

M

A

A

G

R

V

L

E

A

V

A

A

G

E

N

K

I

V

I

V

A

K

F

I

S

L

K

K

active site: S96 (≠ L99), R230 (= R237), D254 (= D261), E259 (= E266), H278 (= H285)
binding nicotinamide-adenine-dinucleotide: V100 (≠ T103), G146 (= G152), F147 (≠ L153), G148 (= G154), R149 (= R155), I150 (= I156), Y168 (≠ H175), D169 (≠ N176), P170 (≠ R177), V201 (≠ A208), P202 (≠ N209), T207 (≠ H214), T228 (= T235), S229 (≠ A236), D254 (= D261), H278 (= H285), G280 (= G287)

Q65CJ7 Hydroxyphenylpyruvate reductase; HPPR; EC 1.1.1.237 from Plectranthus scutellarioides (Coleus) (Solenostemon scutellarioides) (see paper)
36% identity, 76% coverage: 57:305/328 of query aligns to 58:299/313 of Q65CJ7

query
sites
Q65CJ7

D

D

K

A

K

E

F

L

F

I

D

D

A

A

C

L

P

P

N

K

V

L

K

E

A

I

I

V

A

S

L

S

Y

F

S

S

V

V

G

G

F

L

D

D

H

K

V

V

E

D

I

L

K

I

E

K

A

C

T

E

Q

E

R

K

H

G

I

V

P

R

I

V

G

T

N

N

T

T

P

P

D

D

V

V

L

L

S

T

R

D

A

D

T

V

S

A

D

D

V

L

A

A

F

I

L

G

L

L

M

I

Q

L

S

A

V

V

A

L

R

R

R

R

A

I

S

C

Y

E

N

C

F

D

Q

K

K

Y

V

V

K

R

D

R

G

G

N

A

W

W

N

K

A

F

F

G

D

D

P

-

L

-

H

F

A

K

L

L

G

T

Q

T

E

K

L

F

Y

S

G

G

K

K

T

R

L

V

G

G

I

I

F

I

G

G

L
|
L

G
|
G

R
|
R

I
|
I

G

G

Y

L

E

A

M

V

A

A

E

E

K

R

S

A

K

E

K

-

A

A

F

F

G

D

M

C

N

P

I

I

I

S

Y

Y

H

F

N
x
S

R
|
R

N
x
S

H

K

N

K

E

P

E

N

A

T

E

N

R

Y

E

-

L

-

G

-

A

T

A

Y

Y

Y

V

G

S

S

F

V

E

V

E

E

L

L

I

A

K

S

N

N

S

S

D

D

V

I

L

L

S

V

V

V

H

A

A

C

N

P

F

L

T

T

P

P

E

E

H

T

K

T

E

H

V

I

F

I

N

N

Y

R

S

E

L

V

F

I

E

D

Q

A

M

L

K

G

P

P

D

K

S

G

I

V

F

L

I

I

N

N

T
x
I

A

G

R

R

G

G

G

P

F

H

H

V

N

D

Q

E

K

P

D

E

L

L

Y

V

Q

S

A

A

L

L

V

V

D

E

K

G

K

R

I

L

W

G

G

G

A

A

G

G

L

L

D
|
D

V

V

T

F

N

E

P

R

E

E

P

P

M

-

S

E

S

V

D

P

D

E

P

K

I

L

L

F

G

G

L

L

S

E

S

N

V

V

C

V

I

L

L

L

P

P

H

H

I

V

G

G

S

S

A

G

T

T

V

V

E

E

A

T

R

R

N

K

G

V

M

M

A

A

R

D

L

L

A

V

A

V

G

G

N

N

I

L

LGRI 152:155 (= LGRI 153:156) binding NADP(+)
SRS 174:176 (≠ NRN 176:178) binding NADP(+)
I230 (≠ T235) binding NADP(+)
D256 (= D261) binding NADP(+)

3bazA Structure of hydroxyphenylpyruvate reductase from coleus blumei in complex with NADP+ (see paper)
36% identity, 76% coverage: 57:305/328 of query aligns to 56:297/311 of 3bazA

query
sites
3bazA

D

D

K

A

K

E

F

L

F

I

D

D

A

A

C

L

P

P

N

K

V

L

K

E

A

I

I

V

A

S

L

S

Y

F

S

S

V
|
V

G

G

F

L

D

D

H

K

V

V

E

D

I

L

K

I

E

K

A

C

T

E

Q

E

R

K

H

G

I

V

P

R

I

V

G

T

N

N

T

T

P

P

D

D

V

V

L
|
L

S

T

R

D

A

D

T

V

S

A

D

D

V

L

A

A

F

I

L

G

L

L

M

I

Q

L

S

A

V

V

A

L

R

R

R

R

A

I

S

C

Y

E

N

C

F

D

Q

K

K

Y

V

V

K

R

D

R

G

G

N

A

W

W

N

K

A

F

F

G

D

D

P

-

L

-

H

F

A

K

L

L

G

T

Q

T

E

K

L

F

Y

S

G

G

K

K

T

R

L

V

G

G

I

I

F

I

G
|
G

L
|
L

G
|
G

R
|
R

I
|
I

G

G

Y

L

E

A

M

V

A

A

E

E

K

R

S

A

K

E

K

-

A

A

F

F

G

D

M

C

N

P

I

I

I

S

Y

Y

H

F

N
x
S

R
|
R

N
x
S

H

K

N

K

E

P

E

N

A

T

E

N

R

Y

E

-

L

-

G

-

A

T

A

Y

Y

Y

V

G

S

S

F

V

E

V

E

E

L

L

I

A

K

S

N

N

S

S

D

D

V

I

L

L

S

V

V

V

H

A

A
x
C

N
x
P

F

L

T

T

P

P

E

E

H
x
T

K

T

E

H

V

I

F

I

N

N

Y

R

S

E

L

V

F

I

E

D

Q

A

M

L

K

G

P

P

D

K

S

G

I

V

F

L

I

I

N

N

T
x
I

A
x
G

R
|
R

G

G

G

P

F

H

H

V

N

D

Q

E

K

P

D

E

L

L

Y

V

Q

S

A

A

L

L

V

V

D

E

K

G

K

R

I

L

W

G

G

G

A
|
A

G

G

L

L

D
|
D

V

V

T

F

N

E

P

R

E
|
E

P

P

M

-

S

E

S

V

D

P

D

E

P

K

I

L

L

F

G

G

L

L

S

E

S

N

V

V

C

V

I

L

L

L

P

P

H
|
H

I

V

G
|
G

S

S

A

G

T

T

V

V

E

E

A

T

R

R

N

K

G

V

M

M

A

A

R

D

L

L

A

V

A

V

G

G

N

N

I

L

active site: L98 (= L99), R230 (= R237), A251 (= A258), D254 (= D261), E259 (= E266), H277 (= H285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V74 (= V75), G149 (= G152), L150 (= L153), G151 (= G154), R152 (= R155), I153 (= I156), S172 (≠ N176), R173 (= R177), S174 (≠ N178), C201 (≠ A208), P202 (≠ N209), T207 (≠ H214), I228 (≠ T235), G229 (≠ A236), R230 (= R237), D254 (= D261), H277 (= H285), G279 (= G287)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
30% identity, 90% coverage: 2:295/328 of query aligns to 3:288/301 of 6rj5A

query
sites
6rj5A

K

K

V

V

F

L

I

I

N

S

K

D

R

S

I

L

P

D

E

P

T

C

G

C

I

R

K

K

M

I

L

L

E

Q

E

D

A

G

G

G

L

L

E

Q

I

V

I

V

L

-

P

-

E

E

N

K

E

Q

N

N

L

L

S

S

Y

K

E

E

E

E

W

L

L

I

G

A

Y

E

C

L

K

Q

N

D

T

C

D

E

T

G

I

L

L

I

N

-

V

V

G

R

G

S

D

A

F

T

K

K

Y

V

D

T

K

A

K

D

F

V

F

I

D

N

A

A

C

A

P

E

N

K

V

L

K

Q

A

V

I

V

A

G

L

R

Y

A

S

G

V

T

G

G

F

V

D

D

H

N

V

V

E

D

I

L

K

E

E

A

A

A

T

T

Q

R

R

K

H

G

I

I

P

L

I

V

G

M

N

N

T

T

P

P

D

N

V

G

L

N

S

S

R

L

A

S

T

A

S

A

D

E

V

L

A

T

F

C

L

G

L

M

M

I

Q

M

S

C

V

L

A

A

R

R

R

Q

A

I

S

P

Y

Q

N

A

F

T

Q

A

K

S

V

M

K

K

D

D

G

G

N

K

W

W

N

-

A

-

F

-

D

E

P

R

L

K

H

K

A

F

L

M

G

G

Q

T

E

E

L

L

Y

N

G

G

K

K

T

T

L

L

G

G

I

I

F
x
L

G

G

L

L

G

G

R

R

I

I

G

G

Y

R

E

E

M

V

A

A

E

T

K

R

S

-

K

M

K

Q

A

S

F

F

G

G

M

M

N

K

I

T

I

I

Y

G

H
x
Y

N
x
D

R
x
P

N

I

H
x
I

N

S

E

P

E

E

A

V

E

S

R

A

E

S

L

F

G

G

A

V

A

Q

Y

Q

V

L

S

P

F

L

E

E

E

E

L

I

I

W

K

P

N

L

S

C

D

D

V

F

L

I

S

T

V

V

H
|
H

A
x
T

N
x
P

F

L

T

L

P

P

E

S

H

T

K

T

E

G

V
x
L

F

L

N

N

Y

D

S

N

L

T

F

F

E

A

Q

Q

M

C

K

K

P

K

D

G

S

V

I

R

F

V

I

V

N

N

T

C

A

A

R

R

G

G

G

G

F

I

H

V

N

D

Q

E

K

G

D

A

L

L

Y

L

Q

R

A

A

L

L

V

Q

D

S

K

G

K

Q

I

C

W

A

G

G

A

A

G

A

L

L

D

D

V

V

T

F

N

T

P

E

E

E

P

P

M

-

S

P

S

R

D

D

D

R

P

A

I

L

L

V

G

D

L

H

S

E

S

N

V

V

C

I

I

S

L

C

P

P

H

H

I

L

G

G

S

A

A

S

T

T

V

K

E

E

A

A

R

Q

N

S

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ F151), Y169 (≠ H175), D170 (≠ N176), P171 (≠ R177), I173 (≠ H179), H201 (= H207), T202 (≠ A208), P203 (≠ N209), L211 (≠ V217)

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
30% identity, 90% coverage: 2:295/328 of query aligns to 4:289/305 of 6plfA

query
sites
6plfA

K

K

V

V

F

L

I

I

N

S

K

D

R

S

I

L

P

D

E

P

T

C

G

C

I

R

K

K

M

I

L

L

E

Q

E

D

A

G

G

G

L

L

E

Q

I

V

I

V

L

-

P

-

E

E

N

K

E

Q

N

N

L

L

S

S

Y

K

E

E

E

E

W

L

L

I

G

A

Y

E

C

L

K

Q

N

D

T

C

D

E

T

G

I

L

L

I

N

-

V

V

G

R

G

S

D

A

F

T

K

K

Y

V

D

T

K

A

K

D

F

V

F

I

D

N

A

A

C

A

P

E

N

K

V

L

K

Q

A

V

I

V

A

G

L

R

Y

A

S

G

V

T

G

G

F

V

D

D

H

N

V

V

E

D

I

L

K

E

E

A

A

A

T

T

Q

R

R

K

H

G

I

I

P

L

I

V

G

M

N

N

T

T

P

P

D

N

V

G

L

N

S

S

R

L

A

S

T

A

S

A

D

E

V

L

A

T

F

C

L

G

L

M

M

I

Q

M

S

C

V

L

A

A

R

R

R

Q

A

I

S

P

Y

Q

N

A

F

T

Q

A

K

S

V

M

K

K

D

D

G

G

N

K

W

W

N

-

A

-

F

-

D

E

P

R

L

K

H

K

A

F

L

M

G

G

Q

T

E

E

L

L

Y

N

G

G

K

K

T

T

L

L

G

G

I

I

F

L

G

G

L

L

G

G

R

R

I

I

G

G

Y

R

E

E

M

V

A

A

E

T

K

R

S

-

K

M

K

Q

A

S

F

F

G

G

M

M

N

K

I

T

I

I

Y

G

H
x
Y

N
x
D

R
x
P

N

I

H

I

N

S

E

P

E

E

A

V

E

S

R

A

E

S

L

F

G

G

A

V

A

Q

Y

Q

V

L

S

P

F
x
L

E

E

E

E

L

I

I

W

K

P

N

L

S

C

D

D

V

F

L

I

S

T

V

V

H
|
H

A
x
T

N
x
P

F

L

T

L

P

P

E

S

H

T

K

T

E

G

V
x
L

F

L

N

N

Y

D

S

N

L

T

F

F

E

A

Q

Q

M

C

K

K

P

K

D

G

S

V

I

R

F

V

I

V

N

N

T

C

A

A

R

R

G

G

G

G

F

I

H

V

N

D

Q

E

K

G

D

A

L

L

Y

L

Q

R

A

A

L

L

V

Q

D

S

K

G

K

Q

I

C

W

A

G

G

A

A

G

A

L

L

D

D

V

V

T

F

N

T

P

E

E

E

P

P

M

-

S

P

S

R

D

D

D

R

P

A

I

L

L

V

G

D

L

H

S

E

S

N

V

V

C

I

I

S

L

C

P

P

H

H

I

L

G

G

S

A

A

S

T

T

V

K

E

E

A

A

R

Q

N

S

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 (≠ H175), D171 (≠ N176), P172 (≠ R177), L189 (≠ F194), H202 (= H207), T203 (≠ A208), P204 (≠ N209), L212 (≠ V217)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
30% identity, 90% coverage: 2:295/328 of query aligns to 3:288/302 of 7ewhA

query
sites
7ewhA

K

K

V

V

F

L

I

I

N

S

K

D

R

S

I

L

P

D

E

P

T

C

G

C

I

R

K

K

M

I

L

L

E

Q

E

D

A

G

G

G

L

L

E

Q

I

V

I

V

L

-

P

-

E

E

N

K

E

Q

N

N

L

L

S

S

Y

K

E

E

E

E

W

L

L

I

G

A

Y

E

C

L

K

Q

N

D

T

C

D

E

T

G

I

L

L

I

N

-

V

V

G

R

G

S

D

A

F

T

K

K

Y

V

D

T

K

A

K

D

F

V

F

I

D

N

A

A

C

A

P

E

N

K

V

L

K

Q

A

V

I

V

A

G

L

R

Y

A

S

G

V

T

G

G

F

V

D

D

H

N

V

V

E

D

I

L

K

E

E

A

A

A

T

T

Q

R

R

K

H

G

I

I

P

L

I

V

G

M

N

N

T

T

P

P

D

N

V

G

L

N

S

S

R

L

A

S

T

A

S

A

D

E

V

L

A

T

F

C

L

G

L

M

M

I

Q

M

S

C

V

L

A

A

R

R

R

Q

A

I

S

P

Y

Q

N

A

F

T

Q

A

K

S

V

M

K

K

D

D

G

G

N

K

W

W

N

-

A

-

F

-

D

E

P

R

L

K

H

K

A

F

L

M

G

G

Q

T

E

E

L

L

Y

N

G

G

K

K

T

T

L

L

G

G

I

I

F
x
L

G
|
G

L
|
L

G
|
G

R
|
R

I
|
I

G
|
G

Y

R

E

E

M

V

A

A

E

T

K

R

S

-

K

M

K

Q

A

S

F

F

G

G

M

M

N

K

I

T

I

I

Y

G

H

Y

N
x
D

R

P

N

I

H

I

N

S

E

P

E

E

A

V

E

S

R

A

E

S

L

F

G

G

A

V

A

Q

Y

Q

V

L

S

P

F

L

E

E

E

E

L

I

I

W

K

P

N

L

S

C

D

D

V

F

L

I

S

T

V

V

H
|
H

A
x
T

N
x
P

F

L

T

L

P

P

E

S

H

T

K

T

E

G

V

L

F

L

N

N

Y

D

S

N

L

T

F

F

E

A

Q

Q

M

C

K

K

P

K

D

G

S

V

I

R

F

V

I

V

N

N

T

C

A

A

R

R

G

G

G

G

F

I

H

V

N

D

Q

E

K

G

D

A

L

L

Y

L

Q

R

A

A

L

L

V

Q

D

S

K

G

K

Q

I

C

W

A

G

G

A

A

G

A

L

L

D

D

V

V

T

F

N

T

P

E

E

E

P

P

M

-

S

P

S

R

D

D

D

R

P

A

I

L

L

V

G

D

L

H

S

E

S

N

V

V

C

I

I

S

L

C

P

P

H

H

I

L

G

G

S

A

A

S

T

T

V

K

E

E

A

A

R

Q

N

S

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ F151), G147 (= G152), L148 (= L153), G149 (= G154), R150 (= R155), I151 (= I156), G152 (= G157), D170 (≠ N176), H201 (= H207), T202 (≠ A208), P203 (≠ N209)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
30% identity, 90% coverage: 2:295/328 of query aligns to 3:288/302 of 6rihA

query
sites
6rihA

K

K

V

V

F

L

I

I

N

S

K

D

R

S

I

L

P

D

E

P

T

C

G

C

I

R

K

K

M

I

L

L

E

Q

E

D

A

G

G

G

L

L

E

Q

I

V

I

V

L

-

P

-

E

E

N

K

E

Q

N

N

L

L

S

S

Y

K

E

E

E

E

W

L

L

I

G

A

Y

E

C

L

K

Q

N

D

T

C

D

E

T

G

I

L

L

I

N

-

V

V

G

R

G

S

D

A

F

T

K

K

Y

V

D

T

K

A

K

D

F

V

F

I

D

N

A

A

C

A

P

E

N

K

V

L

K

Q

A

V

I

V

A

G

L

R

Y

A

S

G

V

T

G

G

F

V

D

D

H

N

V

V

E

D

I

L

K

E

E

A

A

A

T

T

Q

R

R

K

H

G

I

I

P

L

I

V

G

M

N

N

T

T

P

P

D

N

V

G

L

N

S

S

R

L

A

S

T

A

S

A

D

E

V

L

A

T

F

C

L

G

L

M

M

I

Q

M

S

C

V

L

A

A

R

R

R

Q

A

I

S

P

Y

Q

N

A

F

T

Q

A

K

S

V

M

K

K

D

D

G

G

N

K

W

W

N

-

A

-

F

-

D

E

P

R

L

K

H

K

A

F

L

M

G

G

Q

T

E

E

L

L

Y

N

G

G

K

K

T

T

L

L

G

G

I

I

F

L

G

G

L

L

G
|
G

R

R

I

I

G

G

Y

R

E

E

M

V

A

A

E

T

K

R

S

-

K

M

K

Q

A

S

F

F

G

G

M

M

N

K

I

T

I

I

Y

G

H
x
Y

N
x
D

R
x
P

N
x
I

H
x
I

N

S

E

P

E

E

A

V

E

S

R

A

E

S

L

F

G

G

A

V

A

Q

Y

Q

V

L

S

P

F

L

E

E

E

E

L

I

I

W

K

P

N

L

S

C

D

D

V

F

L

I

S

T

V

V

H

H

A
x
T

N
x
P

F

L

T

L

P

P

E

S

H

T

K

T

E

G

V
x
L

F

L

N

N

Y

D

S

N

L

T

F

F

E

A

Q

Q

M

C

K

K

P

K

D

G

S

V

I

R

F

V

I

V

N

N

T

C

A

A

R

R

G

G

G

G

F

I

H

V

N

D

Q

E

K

G

D

A

L

L

Y

L

Q

R

A

A

L

L

V

Q

D

S

K

G

K

Q

I

C

W

A

G

G

A

A

G

A

L

L

D

D

V

V

T

F

N

T

P

E

E

E

P

P

M

-

S

P

S

R

D

D

D

R

P

A

I

L

L

V

G

D

L

H

S

E

S

N

V

V

C

I

I

S

L

C

P

P

H

H

I

L

G

G

S

A

A

S

T

T

V

K

E

E

A

A

R

Q

N

S

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G154), Y169 (≠ H175), D170 (≠ N176), P171 (≠ R177), I172 (≠ N178), I173 (≠ H179), T202 (≠ A208), P203 (≠ N209), L211 (≠ V217)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
30% identity, 90% coverage: 2:295/328 of query aligns to 2:287/297 of 6rj3A

query
sites
6rj3A

K

K

V

V

F

L

I

I

N

S

K

D

R

S

I

L

P

D

E

P

T

C

G

C

I

R

K

K

M

I

L

L

E

Q

E

D

A

G

G

G

L

L

E

Q

I

V

I

V

L

-

P

-

E

E

N

K

E

Q

N

N

L

L

S

S

Y

K

E

E

E

E

W

L

L

I

G

A

Y

E

C

L

K

Q

N

D

T

C

D

E

T

G

I

L

L

I

N

-

V

V

G

R

G

S

D

A

F

T

K

K

Y

V

D

T

K

A

K

D

F

V

F

I

D

N

A

A

C

A

P

E

N

K

V

L

K

Q

A

V

I

V

A

G

L

R

Y

A

S

G

V

T

G

G

F

V

D

D

H

N

V

V

E

D

I

L

K

E

E

A

A

A

T

T

Q

R

R

K

H

G

I

I

P

L

I

V

G

M

N

N

T

T

P

P

D

N

V

G

L

N

S

S

R

L

A

S

T

A

S

A

D

E

V

L

A

T

F

C

L

G

L

M

M

I

Q

M

S

C

V

L

A

A

R

R

R

Q

A

I

S

P

Y

Q

N

A

F

T

Q

A

K

S

V

M

K

K

D

D

G

G

N

K

W

W

N

-

A

-

F

-

D

E

P

R

L

K

H

K

A

F

L

M

G

G

Q

T

E

E

L

L

Y

N

G

G

K

K

T

T

L

L

G

G

I

I

F
x
L

G

G

L

L

G

G

R

R

I

I

G

G

Y

R

E

E

M

V

A

A

E

T

K

R

S

-

K

M

K

Q

A

S

F

F

G

G

M

M

N

K

I

T

I

I

Y

G

H
x
Y

N
x
D

R
x
P

N
x
I

H
x
I

N

S

E

P

E

E

A

V

E

S

R

A

E

S

L

F

G

G

A

V

A

Q

Y

Q

V

L

S

P

F

L

E

E

E

E

L

I

I

W

K

P

N

L

S

C

D

D

V

F

L

I

S

T

V

V

H
|
H

A
x
T

N
x
P

F

L

T

L

P

P

E

S

H

T

K

T

E

G

V
x
L

F

L

N

N

Y

D

S

N

L

T

F

F

E

A

Q

Q

M

C

K

K

P

K

D

G

S

V

I

R

F

V

I

V

N

N

T

C

A

A

R

R

G

G

G

G

F

I

H

V

N

D

Q

E

K

G

D

A

L

L

Y

L

Q

R

A

A

L

L

V

Q

D

S

K

G

K

Q

I

C

W

A

G

G

A

A

G

A

L

L

D

D

V

V

T

F

N

T

P

E

E

E

P

P

M

-

S

P

S

R

D

D

D

R

P

A

I

L

L

V

G

D

L

H

S

E

S

N

V

V

C

I

I

S

L

C

P

P

H

H

I

L

G

G

S

A

A

S

T

T

V

K

E

E

A

A

R

Q

N

S

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ F151), Y168 (≠ H175), D169 (≠ N176), P170 (≠ R177), I171 (≠ N178), I172 (≠ H179), H200 (= H207), T201 (≠ A208), P202 (≠ N209), L210 (≠ V217)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
30% identity, 90% coverage: 2:295/328 of query aligns to 2:287/299 of 6cwaA

query
sites
6cwaA

K

K

V

V

F

L

I

I

N

S

K

D

R

S

I

L

P

D

E

P

T

C

G

C

I

R

K

K

M

I

L

L

E

Q

E

D

A

G

G

G

L

L

E

Q

I

V

I

V

L

-

P

-

E

E

N

K

E

Q

N

N

L

L

S

S

Y

K

E

E

E

E

W

L

L

I

G

A

Y

E

C

L

K

Q

N

D

T

C

D

E

T

G

I

L

L

I

N

-

V

V

G

R

G

S

D

A

F

T

K

K

Y

V

D

T

K

A

K

D

F

V

F

I

D