SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing RR42_RS26540 FitnessBrowser__Cup4G11:RR42_RS26540 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)
35% identity, 87% coverage: 42:311/311 of query aligns to 42:314/533 of O43175

query
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O43175

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T78 (≠ S77) binding
R135 (≠ K134) 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 (≠ AI 154:155) binding
D175 (= D174) binding
T207 (≠ C203) binding
CAR 234:236 (≠ TAR 230:232) binding
D260 (= D256) binding
V261 (≠ S257) 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 (≠ HIGG 280:283) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
2 modified: N-acetylalanine
373 A → T: in PHGDHD; results in almost undetectable enzyme activity with 3-phosphohydroxypyruvate; dbSNP:rs201553627
377 G → S: in PHGDHD; results in a 2-fold decrease in enzyme activity with 3-phosphohydroxypyruvate, but no change in substrate affinity; dbSNP:rs267606948
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

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
36% identity, 81% coverage: 42:293/311 of query aligns to 37:291/302 of 7ewhA

query
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binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ I150), G147 (= G151), L148 (= L152), G149 (= G153), R150 (≠ A154), I151 (= I155), G152 (= G156), D170 (= D174), H201 (= H202), T202 (≠ C203), P203 (= P204)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
36% identity, 81% coverage: 42:293/311 of query aligns to 37:291/302 of 6rihA

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binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G153), Y169 (≠ F173), D170 (= D174), P171 (= P175), I172 (≠ F176), I173 (≠ A177), T202 (≠ C203), P203 (= P204), L211 (≠ M212)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
36% identity, 81% coverage: 42:293/311 of query aligns to 37:291/301 of 6rj5A

query
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binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ I150), Y169 (≠ F173), D170 (= D174), P171 (= P175), I173 (≠ A177), H201 (= H202), T202 (≠ C203), P203 (= P204), L211 (≠ M212)

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
36% identity, 81% coverage: 42:293/311 of query aligns to 37:291/303 of 6plgA

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E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F

Y

D
|
D

P
|
P

F
x
I

A
x
I

A

S

-

P

-

E

-

V

D

S

L

A

P

S

G

F

Y

G

I

V

E

Q

P

Q

V

L

D

P

L

L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H
|
H

C
x
T

P

P

L

L

T
x
L

P

P

G

S

N

T

R

T

A

G

M

L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T

C

A

A

R

R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D

D

S

V

F

F

A

T

V

E

E

E

P

P

M

-

T

P

V

R

P

D

H

R

I

A

F

L

H

V

G

D

Q

H

P

E

G

N

F

V

L

I

L

S

S

C

P

P

H

H

I

L

G

G

G

A

V

S

T

T

S

K

A

E

A

A

Y

Q

V

S

N

R

M

C

G

G

binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G153), R150 (≠ A154), D170 (= D174), P171 (= P175), I172 (≠ F176), I173 (≠ A177), H201 (= H202), T202 (≠ C203), L205 (≠ T206)

6rj2A Crystal structure of phgdh in complex with compound 40 (see paper)
36% identity, 81% coverage: 42:293/311 of query aligns to 34:288/299 of 6rj2A

query
sites
6rj2A

L

I

A

A

Q

E

R

L

H

Q

N

D

P

C

V

E

G

G

I

L

I

I

V

V

R

R

Y

S

G

A

A

T

-

K

V

V

T

T

P

A

E

D

I

V

M

I

D

N

A

A

P

E

A

K

L

L

K

Q

V

V

I

V

S

G

K

R

H

A

G

G

S

T

G

G

T

V

D

D

T

N

I

V

D

D

K

L

P

E

A

A

A

T

A

R

R

K

G

G

I

I

A

L

V

V

T

M

A

N

A

T

V

P

G

N

A

G

N

N

A

S

A

L

A

S

V

A

A

A

E

E

Q

L

A

T

M

C

A

G

L

M

L

I

L

M

G

C

C

L

A

A

K

R

S

Q

L

I

V

P

Q

Q

L

A

N

T

E

A

R

S

M

M

H

K

A

D

G

G

H

K

W

W

D

E

K

R

A

K

T

K

H

F

K

M

S

G

V

T

E

E

L

L

A

N

G

G

R

K

T

T

I

L

G

G

L

I

I

L

G

G

L

L

G
|
G

A

R

I
|
I

G

G

R

R

R

E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F
x
Y

D
|
D

P
|
P

F
x
I

A
x
I

A

S

-

P

-

E

-

V

D

S

L

A

P

S

G

F

Y

G

I

V

E

Q

P

Q

V

L

D

P

L

L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H
|
H

C
x
T

P

P

L

L

T

L

P

P

G

S

N

T

R

T

A

G

M
x
L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T

C

A

A

R
|
R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D

D

S

V

F

F

A

T

V

E

E

E

P

P

M

-

T

P

V

R

P

D

H

R

I

A

F

L

H

V

G

D

Q

H

P

E

G

N

F

V

L

I

L

S

S

C

P

P

H

H

I

L

G

G

G

A

V

S

T

T

S

K

A

E

A

A

Y

Q

V

S

N

R

M

C

G

G

binding ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide: G146 (= G153), I148 (= I155), Y166 (≠ F173), D167 (= D174), P168 (= P175), I169 (≠ F176), I170 (≠ A177), H198 (= H202), T199 (≠ C203), L208 (≠ M212), R228 (= R232)

7dkmA Phgdh covalently linked to oridonin (see paper)
36% identity, 81% coverage: 42:293/311 of query aligns to 38:292/306 of 7dkmA

query
sites
7dkmA

L

I

A

A

Q

E

R

L

H

Q

N

D

P

C

V

E

G

G

I

L

I

I

V

V

R

R

Y

S

G

A

A

T

-

K

V

V

T

T

P

A

E

D

I

V

M

I

D

N

A

A

P

E

A

K

L

L

K

Q

V

V

I

V

S

G

K

R

H

A

G

G

S
x
T

G

G

T

V

D

D

T

N

I

V

D

D

K

L

P

E

A

A

A

T

A

R

R

K

G

G

I

I

A

L

V

V

T

M

A

N

A

T

V

P

G

N

A

G

N

N

A

S

A

L

A

S

V
x
A

A

A

E

E

Q

L

A

T

M

C

A

G

L

M

L

I

L

M

G

C

C

L

A

A

K

R

S

Q

L

I

V

P

Q

Q

L

A

N

T

E

A

R

S

M

M

H

K

A

D

G

G

H

K

W

W

D

E

K

R

A

K

T

K

H

F

K

M

S

G

V

T

E

E

L

L

A

N

G

G

R

K

T

T

I

L

G

G

L

I

I

L

G
|
G

L

L

G

G

A
x
R

I
|
I

G

G

R

R

R

E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F
x
Y

D
|
D

P
|
P

F
x
I

A

I

A

S

D

-

L

-

P

P

G

E

Y

V

-

S

-

A

-

S

-

F

-

G

I

V

E

Q

P

Q

V

L

D

P

L

L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H
|
H

C
x
T

P
|
P

L

L

T

L

P

P

G

S

N
x
T

R

T

A

G

M

L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T
x
C

A
|
A

R
|
R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D

D

S

V

F

F

A

T

V

E

E

E

P

P

M

P

T

R

V

D

P

R

H

A

I

L

F

V

H

D

G

H

Q

E

P

-

G

N

F

V

L

I

L

S

S

C

P

P

H
|
H

I

L

G
|
G

G

A

V

S

T

T

S

K

A

E

A

A

Y

Q

V

S

N

R

M

C

G

G

binding nicotinamide-adenine-dinucleotide: T74 (≠ S77), A102 (≠ V105), G148 (= G151), R151 (≠ A154), I152 (= I155), Y170 (≠ F173), D171 (= D174), P172 (= P175), I173 (≠ F176), H202 (= H202), T203 (≠ C203), P204 (= P204), T209 (≠ N209), C230 (≠ T230), A231 (= A231), R232 (= R232), H279 (= H280), G281 (= G282)

Sites not aligning to the query:

binding (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one: 14, 17, 18, 293

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
36% identity, 81% coverage: 42:293/311 of query aligns to 38:292/305 of 6plfA

query
sites
6plfA

L

I

A

A

Q

E

R

L

H

Q

N

D

P

C

V

E

G

G

I

L

I

I

V

V

R

R

Y

S

G

A

A

T

-

K

V

V

T

T

P

A

E

D

I

V

M

I

D

N

A

A

P

E

A

K

L

L

K

Q

V

V

I

V

S

G

K

R

H

A

G

G

S

T

G

G

T

V

D

D

T

N

I

V

D

D

K

L

P

E

A

A

A

T

A

R

R

K

G

G

I

I

A

L

V

V

T

M

A

N

A

T

V

P

G

N

A

G

N

N

A

S

A

L

A

S

V

A

A

A

E

E

Q

L

A

T

M

C

A

G

L

M

L

I

L

M

G

C

C

L

A

A

K

R

S

Q

L

I

V

P

Q

Q

L

A

N

T

E

A

R

S

M

M

H

K

A

D

G

G

H

K

W

W

D

E

K

R

A

K

T

K

H

F

K

M

S

G

V

T

E

E

L

L

A

N

G

G

R

K

T

T

I

L

G

G

L

I

I

L

G

G

L

L

G

G

A

R

I

I

G

G

R

R

R

E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F
x
Y

D
|
D

P
|
P

F

I

A

I

A

S

-

P

-

E

-

V

D

S

L

A

P

S

G

F

Y

G

I

V

E

Q

P

Q

V

L

D

P

L
|
L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H
|
H

C
x
T

P
|
P

L

L

T

L

P

P

G

S

N

T

R

T

A

G

M
x
L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T

C

A

A

R

R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D

D

S

V

F

F

A

T

V

E

E

E

P

P

M

-

T

P

V

R

P

D

H

R

I

A

F

L

H

V

G

D

Q

H

P

E

G

N

F

V

L

I

L

S

S

C

P

P

H

H

I

L

G

G

G

A

V

S

T

T

S

K

A

E

A

A

Y

Q

V

S

N

R

M

C

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 (≠ F173), D171 (= D174), P172 (= P175), L189 (= L189), H202 (= H202), T203 (≠ C203), P204 (= P204), L212 (≠ M212)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
36% identity, 81% coverage: 42:293/311 of query aligns to 36:290/297 of 6rj3A

query
sites
6rj3A

L

I

A

A

Q

E

R

L

H

Q

N

D

P

C

V

E

G

G

I

L

I

I

V

V

R

R

Y

S

G

A

A

T

-

K

V

V

T

T

P

A

E

D

I

V

M

I

D

N

A

A

P

E

A

K

L

L

K

Q

V

V

I

V

S

G

K

R

H

A

G

G

S

T

G

G

T

V

D

D

T

N

I

V

D

D

K

L

P

E

A

A

A

T

A

R

R

K

G

G

I

I

A

L

V

V

T

M

A

N

A

T

V

P

G

N

A

G

N

N

A

S

A

L

A

S

V

A

A

A

E

E

Q

L

A

T

M

C

A

G

L

M

L

I

L

M

G

C

C

L

A

A

K

R

S

Q

L

I

V

P

Q

Q

L

A

N

T

E

A

R

S

M

M

H

K

A

D

G

G

H

K

W

W

D

E

K

R

A

K

T

K

H

F

K

M

S

G

V

T

E

E

L

L

A

N

G

G

R

K

T

T

I

L

G

G

L

I

I
x
L

G

G

L

L

G

G

A

R

I

I

G

G

R

R

R

E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F
x
Y

D
|
D

P
|
P

F
x
I

A
x
I

A

S

-

P

-

E

-

V

D

S

L

A

P

S

G

F

Y

G

I

V

E

Q

P

Q

V

L

D

P

L

L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H
|
H

C
x
T

P
|
P

L

L

T

L

P

P

G

S

N

T

R

T

A

G

M
x
L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T

C

A

A

R

R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D

D

S

V

F

F

A

T

V

E

E

E

P

P

M

P

T

R

V

D

P

R

H

A

I

L

F

V

H

D

G

H

Q

E

P

-

G

N

F

V

L

I

L

S

S

C

P

P

H

H

I

L

G

G

G

A

V

S

T

T

S

K

A

E

A

A

Y

Q

V

S

N

R

M

C

G

G

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ I150), Y168 (≠ F173), D169 (= D174), P170 (= P175), I171 (≠ F176), I172 (≠ A177), H200 (= H202), T201 (≠ C203), P202 (= P204), L210 (≠ M212)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
36% identity, 81% coverage: 42:293/311 of query aligns to 36:290/299 of 6cwaA

query
sites
6cwaA

L

I

A

A

Q

E

R

L

H

Q

N

D

P

C

V

E

G

G

I

L

I

I

V

V

R

R

Y

S

G

A

A

T

-

K

V

V

T

T

P

A

E

D

I

V

M

I

D

N

A

A

P

E

A

K

L

L

K

Q

V

V

I

V

S

G

K

R

H

A

G

G

S

T

G

G

T

V

D

D

T

N

I

V

D

D

K

L

P

E

A

A

A

T

A

R

R

K

G

G

I

I

A

L

V

V

T

M

A

N

A

T

V

P

G

N

A

G

N
|
N

A

S

A

L

A

S

V
x
A

A

A

E

E

Q

L

A

T

M

C

A

G

L

M

L

I

L

M

G

C

C

L

A

A

K

R

S

Q

L

I

V

P

Q

Q

L

A

N

T

E

A

R

S

M

M

H

K

A

D

G

G

H

K

W

W

D

E

K

R

A

K

T

K

H

F

K

M

S

G

V

T

E

E

L

L

A

N

G

G

R

K

T

T

I

L

G

G

L

I

I

L

G

G

L

L

G

G

A
x
R

I
|
I

G

G

R

R

R

E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F
x
Y

D
|
D

P
|
P

F
x
I

A

I

A

S

-

P

-

E

-

V

D

S

L

A

P

S

G

F

Y

G

I

V

E

Q

P

Q

V

L

D

P

L

L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H
|
H

C
x
T

P
|
P

L

L

T

L

P

P

G

S

N
x
T

R

T

A

G

M

L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T
x
C

A
|
A

R
|
R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D

D

S

V

F

F

A

T

V

E

E

E

P

P

M

P

T

R

V

D

P

R

H

A

I

L

F

V

H

D

G

H

Q

E

P

-

G

N

F

V

L

I

L

S

S

C

P

P

H
|
H

I

L

G
|
G

G

A

V

S

T

T

S

K

A

E

A

A

Y

Q

V

S

N

R

M

C

G

G

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (= N101), A100 (≠ V105), R149 (≠ A154), I150 (= I155), Y168 (≠ F173), D169 (= D174), P170 (= P175), I171 (≠ F176), H200 (= H202), T201 (≠ C203), P202 (= P204), T207 (≠ N209), C228 (≠ T230), A229 (= A231), R230 (= R232), H277 (= H280), G279 (= G282)

6plfB Crystal structure of human phgdh complexed with compound 1 (see paper)
36% identity, 81% coverage: 42:293/311 of query aligns to 32:282/292 of 6plfB

query
sites
6plfB

L

I

A

A

Q

E

R

L

H

Q

N

D

P

C

V

E

G

G

I

L

I

I

V

V

R

R

Y

S

G

A

A

A

V

-

T

-

P

-

E

D

I

V

M

I

D

N

A

A

P

E

A

K

L

L

K

Q

V

V

I

V

S

G

K

R

H

A

G

G

S

T

G

G

T

V

D

D

T

N

I

V

D

D

K

L

P

E

A

A

A

T

A

R

R

K

G

G

I

I

A

L

V

V

T

M

A

N

A

T

V

P

G

N

A

G

N

N

A

S

A

L

A

S

V

A

A

A

E

E

Q

L

A

T

M

C

A

G

L

M

L

I

L

M

G

C

C

L

A

A

K

R

S

Q

L

I

V

P

Q

Q

L

A

N

T

E

A

R

S

M

M

H

K

A

D

G

G

H

K

W

W

D

E

K

R

A

K

T

K

H

F

K

M

S

G

V

T

E

E

L

L

A

N

G

G

R

K

T

T

I

L

G

G

L

I

I

L

G

G

L

L

G

G

A
x
R

I

I

G

G

R

R

R

E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F
x
Y

D
|
D

P
|
P

F

I

A
x
I

A

S

-

P

-

E

-

V

D

S

L

A

P

S

G

F

Y

G

I

V

E

Q

P

Q

V

L

D

P

L
|
L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H

H

C
x
T

P
|
P

L

L

T

L

P

P

G
x
S

N

T

R

T

A

G

M
x
L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T

C

A

A

R

R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D

D

S

V

F

F

A

T

V

E

E

E

P

P

M

P

T

R

V

D

P

R

H

A

I

L

F

V

H

D

G

H

Q

E

P

-

G

N

F

V

L

I

L

S

S

C

P

P

H

H

I

L

G

G

G

A

V

S

T

T

S

K

A

E

A

A

Y

Q

V

S

N

R

M

C

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: R141 (≠ A154), Y160 (≠ F173), D161 (= D174), P162 (= P175), I164 (≠ A177), L179 (= L189), T193 (≠ C203), P194 (= P204), S198 (≠ G208), L202 (≠ M212)

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
35% identity, 95% coverage: 8:304/311 of query aligns to 3:302/304 of 1wwkA

query
sites
1wwkA

L

V

V

L

T

V

A

A

D

P

L

L

A

H

P

E

Q

K

A

A

E

I

A

Q

L

V

L

L

G

K

D

D

-

A

-

G

F

L

E

E

I

V

V

I

Y

Y

A

E

G

-

K

E

T

Y

P

P

Q

D

A

E

A

D

D

R

L

L

V

V

A

E

L

L

A

V

Q

K

R

-

H

-

N

D

P

V

V

E

G

A

I

I

V

V

R

R

Y

S

G

K

-

P

A

K

V

V

T

T

P

R

E

R

I

V

M

I

D

E

A

S

A

A

P

P

A

K

L

L

K

K

V

V

I

I

S

A

K

R

H

A

G

G

S

V

G

G

T

L

D

D

T

N

I

I

D

D

K

V

P

E

A

A

A

K

A

E

R

K

G

G

I

I

A

E

V

V

T

V

A

N

A

A

V

P

G

A

A

A

N
x
S

A

S

A

R

A

S

V
|
V

A

A

E

E

Q

L

A

A

M

V

A

G

L

L

L

M

L

F

G

S

C

V

A

A

K

R

S

K

L

I

V

A

Q

F

L

A

N

D

E

R

R

K

M

M

H

R

A

E

G

G

H

V

W

W

D

A

K

K

A

K

T

E

H

A

K

M

S

G

V

I

E

E

L

L

A

E

G

G

R

K

T

T

I

I

G

G

L

I

I

I

G
|
G

L
x
F

G
|
G

A
x
R

I
|
I

G

G

R

Y

R

Q

F

V

A

A

R

K

M

I

C

A

D

N

A

A

M

L

G

G

M

M

R

N

V

I

I

L

G

L

F
x
Y

D
|
D

P
|
P

F

Y

-

P

-

N

-

E

-

R

A

A

A

K

D

E

L

V

P

N

G

G

Y

K

I

F

E

-

P

-

V

V

D

D

L

L

D

E

A

T

I

L

W

L

R

K

E

E

A

S

D

D

A

V

I

V

S

T

L

I

H

H

C
x
V

P
|
P

L

L

T

V

P

E

G

S

N
x
T

R

Y

A

H

M

L

I

I

N

N

A

E

Q

E

T

R

L

L

A

K

Q

L

C

M

K

K

Q

K

G

T

V

A

I

I

L

L

V

I

N

N

T
|
T

A
x
S

R
|
R

G

G

G

P

L

V

I

V

D

D

E

T

P

N

A

A

L

L

L

V

A

K

A

A

V

L

Q

K

S

E

G

G

Q

W

V

I

A

A

V

G

A

A

G

G

L

L

D
|
D

S

V

F

F

A

E

V

E

E
|
E

P

P

M

L

T

P

V

K

P

D

H

H

I

P

F

L

H

T

G

K

Q

F

P

D

G

N

F

V

L

V

L

L

S

T

P

P

H
|
H

I

I

G
|
G

G

A

V

S

T

T

S

V

A

E

A

A

Y

Q

V

E

N

R

M

A

G

G

V

V

A

E

A

V

A

A

Q

E

N

K

T

V

L

V

G

K

V

I

L

L

active site: S96 (≠ N101), R230 (= R232), D254 (= D256), E259 (= E261), H278 (= H280)
binding nicotinamide-adenine-dinucleotide: V100 (= V105), G146 (= G151), F147 (≠ L152), G148 (= G153), R149 (≠ A154), I150 (= I155), Y168 (≠ F173), D169 (= D174), P170 (= P175), V201 (≠ C203), P202 (= P204), T207 (≠ N209), T228 (= T230), S229 (≠ A231), D254 (= D256), H278 (= H280), G280 (= G282)

3ddnB Crystal structure of hydroxypyruvic acid phosphate bound d-3- phosphoglycerate dehydrogenase in mycobacterium tuberculosis (see paper)
37% identity, 95% coverage: 5:299/311 of query aligns to 3:297/525 of 3ddnB

query
sites
3ddnB

P

P

A

V

I

V

L

L

V

I

T

-

A

A

A

D

D

K

L

L

A

A

P

P

Q

S

A

T

E

V

A

A

L

A

L

L

G

G

D

D

F

Q

E

V

I

E

V

V

Y

R

A

W

G

V

K

D

T

G

P

P

Q

D

A

R

A

D

D

K

L

L

V

L

A

A

L

A

A

V

Q

P

R

E

H

A

N

D

P

-

V

-

G

A

I

L

V

V

R

R

Y

S

G

A

A

T

-

T

V

V

T

D

P

A

E

E

I

V

M

L

D

A

A

A

P

P

A

K

L

L

K

K

V

I

I

V

S

A

K
x
R

H

A

G

G

S
x
V

G

G

T

L

D

D

T

N

I

V

D

D

K

V

P

D

A

A

A

T

A

A

R

R

G

G

I

V

A

L

V

V

T

V

A

N

A

A

V

P

G

T

A

S

N
|
N

A

I

A

H

A

S

V

A

A

A

E

E

Q

H

A

A

M

L

A

A

L

L

G

A

C

A

A

S

K

R

S

Q

L

I

V

P

Q

A

L

A

N

D

E

A

R

S

M

L

H

R

A

E

G

H

H

T

W

W

D

K

K

R

A

S

T

S

H

F

K

S

S

G

V

T

E

E

L

I

A

F

G

G

R

K

T

T

I

V

G

G

L

V

I

V

G

G

L

L

G

G

A

R

I

I

G

G

R

Q

R

L

F

V

A

A

R

Q

M

R

C

I

D

A

A

A

M

F

G

G

M

A

R

Y

V

V

I

V

G

A

F

Y

D

D

P

P

F

Y

-

V

-

S

-

P

-

A

-

R

A

A

D

Q

L

L

P

G

G

-

Y

-

I

I

E

E

P

L

V

L

D

S

L

L

D

D

A

D

I

L

W

L

R

A

E

R

A

A

D

D

A

F

I

I

S

S

L

V

H

H

C

L

P

P

L

K

T

T

P

P

G

E

N

T

R

A

A

G

M

L

I

I

N

D

A

K

Q

E

T

A

L

L

A

A

Q

K

C

T

K

K

Q

P

G

G

V

V

I

I

L

I

V

V

N

N

T

A

A

A

R
|
R

G

G

L

L

I

V

D

D

E

E

P

A

A

A

L

L

L

A

A

D

A

A

V

I

Q

T

S

G

G

G

Q

H

V

V

A

R

V

A

A

A

G

G

L

L

D
|
D

S

V

F

F

A

A

V

T

E
|
E

P

P

M

C

T

T

V

D

P

S

H

P

I

L

F

F

H

E

G

-

Q

L

P

A

G

Q

F

V

L

V

S

T

P

P

H
|
H

I

L

G

G

G
x
A

V

S

T

T

S

A

A

E

A

A

Y
x
Q

V

D

N

R

M

A

G

G

V

T

A

D

A

V

A

A

Q

E

N

S

active site: N97 (= N101), R231 (= R232), D255 (= D256), E260 (= E261), H278 (= H280)
binding 2-oxo-3-(phosphonooxy)propanoic acid: R70 (≠ K74), V73 (≠ S77), N97 (= N101), A281 (≠ G283), Q287 (≠ Y289)

3dc2A Crystal structure of serine bound d-3-phosphoglycerate dehydrogenase from mycobacterium tuberculosis (see paper)
37% identity, 95% coverage: 5:299/311 of query aligns to 2:296/526 of 3dc2A

query
sites
3dc2A

P

P

A

V

I

V

L

L

V

I

T

-

A

A

A

D

D

K

L

L

A

A

P

P

Q

S

A

T

E

V

A

A

L

A

L

L

G

G

D

D

F

Q

E

V

I

E

V

V

Y

R

A

W

G

V

K

D

T

G

P

P

Q

D

A

R

A

D

D

K

L

L

V

L

A

A

L

A

A

V

Q

P

R

E

H

A

N

D

P

-

V

-

G

A

I

L

V

V

R

R

Y

S

G

A

A

T

-

T

V

V

T

D

P

A

E

E

I

V

M

L

D

A

A

A

P

P

A

K

L

L

K

K

V

I

I

V

S

A

K

R

H

A

G

G

S

V

G

G

T

L

D

D

T

N

I

V

D

D

K

V

P

D

A

A

A

T

A

A

R

R

G

G

I

V

A

L

V

V

T

V

A

N

A

A

V

P

G

T

A

S

N
|
N

A

I

A

H

A

S

V

A

A

A

E

E

Q

H

A

A

M

L

A

A

L

L

G

A

C

A

A

S

K

R

S

Q

L

I

V

P

Q

A

L

A

N

D

E

A

R

S

M

L

H

R

A

E

G

H

H

T

W

W

D

K

K

R

A

S

T

S

H

F

K

S

S

G

V

T

E

E

L

I

A

F

G

G

R

K

T

T

I

V

G

G

L

V

I

V

G

G

L

L

G

G

A

R

I

I

G

G

R

Q

R

L

F

V

A

A

R

Q

M

R

C

I

D

A

A

A

M

F

G

G

M

A

R

Y

V

V

I

V

G

A

F

Y

D

D

P

P

F

Y

-

V

-

S

-

P

-

A

-

R

A

A

D

Q

L

L

P

G

G

-

Y

-

I

I

E

E

P

L

V

L

D

S

L

L

D

D

A

D

I

L

W

L

R

A

E

R

A

A

D

D

A

F

I

I

S

S

L

V

H

H

C

L

P

P

L

K

T

T

P

P

G

E

N

T

R

A

A

G

M

L

I

I

N

D

A

K

Q

E

T

A

L

L

A

A

Q

K

C

T

K

K

Q

P

G

G

V

V

I

I

L

I

V

V

N

N

T

A

A

A

R
|
R

G

G

L

L

I

V

D

D

E

E

P

A

A

A

L

L

L

A

A

D

A

A

V

I

Q

T

S

G

G

G

Q

H

V

V

A

R

V

A

A

A

G

G

L

L

D
|
D

S

V

F

F

A

A

V

T

E
|
E

P

P

M

C

T

T

V

D

P

S

H

P

I

L

F

F

H

E

G

-

Q

L

P

A

G

Q

F

V

L

V

S

T

P

P

H
|
H

I

L

G

G

G

A

V

S

T

T

S

A

A

E

A

A

Y

Q

V

D

N

R

M

A

G

G

V

T

A

D

A

V

A

A

Q

E

N

S

active site: N96 (= N101), R230 (= R232), D254 (= D256), E259 (= E261), H277 (= H280)

Sites not aligning to the query:

binding serine: 458, 460, 461, 462, 463, 464, 465, 484

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)
30% identity, 88% coverage: 25:298/311 of query aligns to 77:362/466 of P87228

query
sites
P87228

F

Y

E

Q

I

V

V

E

Y

F

A

L

G

K

K

T

T

S

P

M

Q
x
S

A

E

A

D

D

D

L

L

V

V

A

E

L

K

A

I

Q

K

R

G

H

V

N

H

P

A

V

I

G

G

I

I

I

R

V

S

R

K

Y

-

G

T

A

R

V

L

T

T

P

R

E

R

I

V

M

L

D

E

A

A

P

D

A

S

L

L

K

I

V

V

I

I

S

G

K

C

H

F

G

C

S

I

G

G

T

T

D

N

T

Q

I

V

D

D

K

L

P

D

A

F

A

A

A

E

R

R

G

G

I

I

A

A

V

V

T

F

A

N

A

S

V

P

G

Y

A

A

N

N

A

S

A

R

A

S

V

V

A

A

E

E

Q

L

A

V

M

I

A

G

L

Y

L

I

G

S

C

L

A

A

K

R

S

Q

L

V

V

G

Q

D

L

R

N

S

E

L

R

E

M

L

H

H

A

R

G

G

H

E

W

W

D

N

K

K

A

V

T

S

H

S

K

G

S

C

V

W

E

E

L

I

A

R

G

G

R

K

T

T

I

L

G

G

L

I

I

I

G

G

L

Y

G

G

A

H

I

I

G

G

R

S

R

Q

F

L

A

S

R

V

M

L

C

A

D

E

A

A

M

M

G

G

M

L

R

H

V

V

I

V

G

Y

F

Y

D

D

P

I

F

L

A

P

A

I

D

M

L

P

P

L

G

G

Y

S

I

A

E

K

P

Q

V

L

-

S

D

S

L

L

D

P

A

E

I

L

W

L

R

H

E

R

A

A

D

D

A

F

I

V

S

S

L

L

H

H

C

V

P

P

L

A

T
x
S

P

P

G

E

N

T

R

K

A

N

M

M

I

I

N

S

A

S

Q

K

T

E

L

F

A

A

Q

A

C

M

K

K

Q

E

G

G

V

S

I

Y

L

L

V

I

N

N

T

A

A

S

R

R

G

G

G

T

L

V

I

V

D

D

E

I

P

P

A

A

L

L

L

V

A

D

A

A

V

S

Q

K

S

S

G

G

Q

K

V

I

A

A

V

G

A

A

G

A

L

I

D

D

S

V

F

Y

A

P

V

S

E

E

P

P

-

A

-

G

-

N

-

G

-

K

-

D

-

K

-

F

-

V

-

D

-

S

-

L

-

N

M

S

T

W

V

T

P

S

H

E

I

L

F

T

H

H

G

C

Q

K

P

-

G

N

F

I

L

I

L

L

S

T

P

P

H

H

I

I

G

G

V

S

T

T

S

E

A

E

A

A

Y

Q

V

Y

N

N

M

I

G

G

V

I

A

E

A

V

A

S

Q

E

S87 (≠ Q35) modified: Phosphoserine
S258 (≠ T206) modified: Phosphoserine

5aovA Ternary crystal structure of pyrococcus furiosus glyoxylate hydroxypyruvate reductase in presence of glyoxylate (see paper)
34% identity, 78% coverage: 58:301/311 of query aligns to 57:309/334 of 5aovA

query
sites
5aovA

V

I

T

D

P

Q

E

E

I

V

M

F

D

E

A

N

A

A

P

P

A

R

L

L

K

R

V

I

I

V

S

A

K

N

H
x
Y

G
x
A

S
x
V

G
|
G

T

Y

D

D

T

N

I

I

D

D

K

V

P

E

A

E

A

A

A

T

A

R

R

R

G

G

I

I

A

Y

V

V

T

T

A

N

A

T

V

P

G

D

A

V

N
x
L

A

T

A

N

A

A

V
x
T

A

A

E

D

Q

H

A

A

M

F

A

A

L

L

G

A

C

T

A

A

K

R

S

H

L

V

V

V

Q

K

L

G

N

D

E

K

R

F

M

V

H

R

A

S

G

G

H

E

W

W

D

K

K

R

-

K

-

G

-

I

A

A

T

W

H

H

K

P

S

K

-

W

-

F

-

L

-

G

V

Y

E

E

L

L

A

Y

G

G

R

K

T

T

I

I

G

G

L

I

I

V

G

G

L
x
F

G
|
G

A
x
R

I
|
I

G

G

R

Q

R

A

F

I

A

A

R

R

M

R

C

A

D

K

A

G

M

F

G

N

M

M

R

R

V

I

I

L

G

Y

F

Y

D
x
S

P
x
R

F

T

-

R

-

K

-

S

-

Q

-

A

A

E

A

K

D

E

L

L

P

G

G

A

Y

E

I

Y

E

R

P

P

V

-

D

-

L

L

D

E

A

E

I

V

W

L

R

K

E

E

A

S

D

D

A

F

I

V

S

I

L

L

H
x
A

C
x
V

P
|
P

L

L

T

T

P

K

G

E

N
x
T

R

M

A

Y

M

M

I

I

N

N

A

E

Q

E

T

R

L

L

A

K

Q

L

C

M

K

K

Q

P

G

T

V

A

I

I

L

L

V

V

N

N

T
x
I

A
|
A

R
|
R

G

G

G

K

L

V

I

V

D

D

E

T

P

K

A

A

L

L

L

I

A

K

A

A

V

L

Q

K

S

E

G

G

Q

W

V

I

A

A

V

G

A

A

G

G

L

L

D
|
D

S

V

F

F

A

E

V

E

E
|
E

P

P

M

Y

T

Y

V

N

P

E

H

E

I

L

F

F

H

-

G

S

Q

L

P

D

G

N

F

V

L

V

L

L

S

T

P

P

H
|
H

I

I

G
|
G

G

S

V

A

T

T

S

F

A

E

A

A

Y

R

V

E

N

A

M

M

G

A

V

E

A

L

A

V

A

A

Q

R

N

N

T

L

L

I

active site: L100 (≠ N101), R241 (= R232), D265 (= D256), E270 (= E261), H288 (= H280)
binding glyoxylic acid: Y74 (≠ H75), A75 (≠ G76), V76 (≠ S77), G77 (= G78), R241 (= R232), H288 (= H280)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (≠ S77), T104 (≠ V105), F158 (≠ L152), G159 (= G153), R160 (≠ A154), I161 (= I155), S180 (≠ D174), R181 (≠ P175), A211 (≠ H202), V212 (≠ C203), P213 (= P204), T218 (≠ N209), I239 (≠ T230), A240 (= A231), R241 (= R232), H288 (= H280), G290 (= G282)

Sites not aligning to the query:

binding glyoxylic acid: 52, 53, 53

7cvpA The crystal structure of human phgdh from biortus.
36% identity, 65% coverage: 91:293/311 of query aligns to 41:245/254 of 7cvpA

query
sites
7cvpA

G

G

I

T

A

L

V

V

T

M

A

N

A

T

V

P

G

N

A

G

N

N

A

S

A

L

A

S

V

A

A

A

E

E

Q

L

A

T

M

C

A

G

L

M

L

I

L

M

G

C

C

L

A

A

K

R

S

Q

L

I

V

P

Q

Q

L

A

N

T

E

A

R

S

M

M

H

K

A

D

G

G

H

K

W

W

D

E

K

R

A

K

T

K

H

F

K

M

S

G

V

T

E

E

L

L

A

N

G

G

R

K

T

T

I

L

G

G

L

I

I

L

G
|
G

L

L

G
|
G

A
x
R

I
|
I

G

G

R

R

R

E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F
x
Y

D
|
D

P
|
P

F
x
I

A

I

A

S

-

P

-

E

-

V

D

S

L

A

P

S

G

F

Y

G

I

V

E

Q

P

Q

V

L

D

P

L

L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H
|
H

C
x
T

P
|
P

L

L

T

L

P

P

G

S

N
x
T

R

T

A

G

M

L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T
x
C

A
|
A

R
|
R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D

D

S

V

F

F

A

T

V

E

E

E

P

P

M

P

T

R

V

D

P

R

H

A

I

L

F

V

H

D

G

H

Q

E

P

-

G

N

F

V

L

I

L

S

S

C

P

P

H
|
H

I

L

G
|
G

G

A

V

S

T

T

S

K

A

E

A

A

Y

Q

V

S

N

R

M

C

G

G

binding nicotinamide-adenine-dinucleotide: G101 (= G151), G103 (= G153), R104 (≠ A154), I105 (= I155), Y123 (≠ F173), D124 (= D174), P125 (= P175), I126 (≠ F176), H155 (= H202), T156 (≠ C203), P157 (= P204), T162 (≠ N209), C183 (≠ T230), A184 (= A231), R185 (= R232), H232 (= H280), G234 (= G282)

5ofwA Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 3-chloro-4-fluorobenzamide (see paper)
37% identity, 60% coverage: 101:288/311 of query aligns to 3:192/195 of 5ofwA

query
sites
5ofwA

N
|
N

A

S

A

L

A

S

V

A

A

A

E

E

Q

L

A

T

M

C

A

G

L

M

L

I

L

M

G

C

C

L

A

A

K

R

S

Q

L

I

V

P

Q

Q

L

A

N

T

E

A

R

S

M

M

H

K

A

D

G

G

H

K

W

W

D

E

K

R

A

K

T

K

H

F

K

M

S

G

V

T

E

E

L

L

A

N

G

G

R

K

T

T

I

L

G

G

L

I

I

L

G
|
G

L

L

G

G

A

R

I

I

G

G

R

R

R

E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F
x
Y

D

D

P
|
P

F

I

A

I

A

S

-

P

-

E

-

V

D

S

L

A

P

S

G

F

Y

G

I

V

E

Q

P

Q

V

L

D

P

L

L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H

H

C
x
T

P

P

L

L

T

L

P

P

G
x
S

N
x
T

R

T

A

G

M
x
L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T

C

A

A

R
|
R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D
|
D

S

V

F

F

A

T

V

E

E
|
E

P

P

M

P

T

R

V

D

P

R

H

A

I

L

F

V

H

D

G

H

Q

E

P

-

G

N

F

V

L

I

L

S

S

C

P

P

H
|
H

I

L

G

G

G

A

V

S

T

T

S

K

A

E

A

A

active site: N3 (= N101), R137 (= R232), D161 (= D256), E166 (= E261), H184 (= H280)
binding 3-chloranyl-4-fluoranyl-benzamide: G53 (= G151), Y75 (≠ F173), P77 (= P175), T108 (≠ C203), S113 (≠ G208), T114 (≠ N209), L117 (≠ M212)

5ofvA Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-fluoro-2-methylbenzoic acid (see paper)
37% identity, 60% coverage: 101:288/311 of query aligns to 3:192/195 of 5ofvA

query
sites
5ofvA

N
|
N

A

S

A

L

A

S

V

A

A

A

E

E

Q

L

A

T

M

C

A

G

L

M

L

I

L

M

G

C

C

L

A

A

K

R

S

Q

L

I

V

P

Q

Q

L

A

N

T

E

A

R

S

M

M

H

K

A

D

G

G

H

K

W

W

D

E

K

R

A

K

T

K

H

F

K

M

S

G

V

T

E

E

L

L

A

N

G

G

R

K

T

T

I

L

G

G

L

I

I

L

G

G

L

L

G

G

A

R

I

I

G

G

R

R

R

E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F
x
Y

D

D

P
|
P

F

I

A

I

A

S

-

P

-

E

-

V

D

S

L

A

P

S

G

F

Y

G

I

V

E

Q

P

Q

V

L

D

P

L

L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H

H

C
x
T

P

P

L

L

T

L

P

P

G

S

N
x
T

R

T

A

G

M

L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T

C

A

A

R
|
R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D
|
D

S

V

F

F

A

T

V

E

E
|
E

P

P

M

P

T

R

V

D

P

R

H

A

I

L

F

V

H

D

G

H

Q

E

P

-

G

N

F

V

L

I

L

S

S

C

P

P

H
|
H

I

L

G

G

G

A

V

S

T

T

S

K

A

E

A

A

active site: N3 (= N101), R137 (= R232), D161 (= D256), E166 (= E261), H184 (= H280)
binding 5-fluoranyl-2-methyl-benzoic acid: Y75 (≠ F173), P77 (= P175), T108 (≠ C203), T114 (≠ N209)

5ofmA Crystal structure of human 3-phosphoglycerate dehydrogenase in complex with 5-amino-1-methyl-1h-indole
37% identity, 60% coverage: 101:288/311 of query aligns to 3:192/195 of 5ofmA

query
sites
5ofmA

N
|
N

A

S

A

L

A

S

V

A

A

A

E

E

Q

L

A

T

M

C

A

G

L

M

L

I

L

M

G

C

C

L

A

A

K

R

S

Q

L

I

V

P

Q

Q

L

A

N

T

E

A

R

S

M

M

H

K

A

D

G

G

H

K

W

W

D

E

K

R

A

K

T

K

H

F

K

M

S

G

V

T

E

E

L

L

A

N

G

G

R

K

T

T

I

L

G

G

L

I

I

L

G

G

L

L

G

G

A

R

I

I

G

G

R

R

R

E

F

V

A

A

R

T

M

R

C

M

D

Q

A

S

M

F

G

G

M

M

R

K

V

T

I

I

G

G

F
x
Y

D

D

P
|
P

F

I

A

I

A

S

-

P

-

E

-

V

D

S

L

A

P

S

G

F

Y

G

I

V

E

Q

P

Q

V

L

D

P

L

L

D

E

A

E

I

I

W

W

R

P

E

L

A

C

D

D

A

F

I

I

S

T

L

V

H

H

C
x
T

P
|
P

L

L

T

L

P

P

G
x
S

N
x
T

R

T

A

G

M

L

I

L

N

N

A

D

Q

N

T

T

L

F

A

A

Q

Q

C

C

K

K

Q

K

G

G

V

V

I

R

L

V

V

V

N

N

T

C

A

A

R
|
R

G

G

L

I

I

V

D

D

E

E

P

G

A

A

L

L

A

R

A

A

V

L

Q

Q

S

S

G

G

Q

Q

V

C

A

A

V

G

A

A

G

A

L

L

D
|
D

S

V

F

F

A

T

V

E

E
|
E

P

P

M

P

T

R

V

D

P

R

H

A

I

L

F

V

H

D

G

H

Q

E

P

-

G

N

F

V

L

I

L

S

S

C

P

P

H
|
H

I

L

G

G

G

A

V

S

T

T

S

K

A

E

A

A

active site: N3 (= N101), R137 (= R232), D161 (= D256), E166 (= E261), H184 (= H280)
binding 1-methylindol-5-amine: Y75 (≠ F173), P77 (= P175), T108 (≠ C203), P109 (= P204), S113 (≠ G208), T114 (≠ N209)

Query Sequence

>RR42_RS26540 FitnessBrowser__Cup4G11:RR42_RS26540
MSTKPAILVTAADLAPQAEALLGDFEIVYAGKTPQAADLVALAQRHNPVGIIVRYGAVTP
EIMDAAPALKVISKHGSGTDTIDKPAAAARGIAVTAAVGANAAAVAEQAMALLLGCAKSL
VQLNERMHAGHWDKATHKSVELAGRTIGLIGLGAIGRRFARMCDAMGMRVIGFDPFAADL
PGYIEPVDLDAIWREADAISLHCPLTPGNRAMINAQTLAQCKQGVILVNTARGGLIDEPA
LLAAVQSGQVAVAGLDSFAVEPMTVPHIFHGQPGFLLSPHIGGVTSAAYVNMGVAAAQNT
LGVLAALSVAG

Or try a new SitesBLAST search

SitesBLAST's Database

SitesBLAST's database includes (1) SwissProt entries with experimentally-supported functional features; and (2) protein structures with bound ligands, from the BioLip database.

by Morgan Price, Arkin group
Lawrence Berkeley National Laboratory