SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing H281DRAFT_01746 FitnessBrowser__Burk376:H281DRAFT_01746 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)

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)
33% identity, 88% coverage: 23:318/335 of query aligns to 67:378/466 of P87228

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P87228

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S87 (≠ T43) modified: Phosphoserine
S258 (≠ T210) modified: Phosphoserine

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)
32% identity, 85% coverage: 36:319/335 of query aligns to 32:318/533 of O43175

query
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O43175

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T78 (≠ V82) binding
R135 (≠ A139) 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 (≠ QI 158:159) binding
D175 (= D178) binding
T207 (≠ A207) binding
CAR 234:236 (≠ AAR 234:236) binding
D260 (= D260) binding
V261 (= V261) 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 284:287) 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

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
34% identity, 83% coverage: 33:310/335 of query aligns to 29:304/304 of 1wwkA

query
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1wwkA

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active site: S96 (≠ F106), R230 (= R236), D254 (= D260), E259 (≠ M268), H278 (= H284)
binding nicotinamide-adenine-dinucleotide: V100 (= V110), G146 (= G155), F147 (≠ Y156), G148 (= G157), R149 (≠ Q158), I150 (= I159), Y168 (≠ S177), D169 (= D178), P170 (= P179), V201 (≠ A207), P202 (= P208), T207 (= T213), T228 (≠ A234), S229 (≠ A235), D254 (= D260), H278 (= H284), G280 (= G286)

6plfA Crystal structure of human phgdh complexed with compound 1 (see paper)
31% identity, 82% coverage: 36:310/335 of query aligns to 28:305/305 of 6plfA

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6plfA

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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 (≠ S177), D171 (= D178), P172 (= P179), L189 (= L193), H202 (≠ L206), T203 (≠ A207), P204 (= P208), L212 (= L216)

6rj5A Crystal structure of phgdh in complex with compound 39 (see paper)
32% identity, 80% coverage: 36:303/335 of query aligns to 27:297/301 of 6rj5A

query
sites
6rj5A

E

E

D

K

R

Q

E

N

L

L

T

S

L

K

T

E

E

E

L

L

A

I

D

A

A

E

A

L

R

Q

E

D

A

C

D

E

V

G

I

L

I

I

A

V

Y

R

R

S

Q

A

T

T

P

K

A

V

P

T

R

A

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

Q

A

V

F

V

V

G

R

R

C

A

A

G

V

T

D

G

I

V

R

D

T

N

V

V

D

D

V

L

D

E

A

A

S

T

E

R

L

K

G

G

V

I

L

L

V

V

T

M

Q

N

A

T

S

P

A

N

G

G

F

N

I

S

P

L

A

S

V

A

S

A

E

E

W

L

V

T

I

C

G

G

A

M

M

I

L

M

D

C

L

L

A

A

R

R

G

Q

T

I

T

P

A

Q

Y

A

A

T

E

A

A

S

Y

M

H

K

R

D

H

G

E

K

A

W

P

E

A

R

P

K

K

K

-

F

M

M

G

G

R

T

E

E

L

L

R

N

G

G

S

K

T

T

F

L

G

G

V

I

I
x
L

G

G

Y

L

G

G

Q

R

I

I

S

G

R

R

Y

E

L

V

C

A

P

T

L

R

A

M

S

Q

A

S

F

F

G

G

M

M

R

K

V

T

I

I

V

G

S
x
Y

D
|
D

P
|
P

Y

I

A
x
I

T

S

I

P

D

E

D

V

T

S

-

A

-

S

-

F

H

G

V

V

Q

Q

V

L

G

P

L

L

D

E

L

I

L

W

A

P

E

L

S

C

D

D

F

F

V

I

V

T

C

V

L
x
H

A
x
T

P
|
P

A

L

T

L

P

P

Q

S

T

T

A

T

N

G

L
|
L

M

L

N

N

A

D

Q

N

T

T

F

F

A

A

S

Q

M

C

K

K

A

K

G

G

A

V

Y

R

F

V

I

V

N

N

A

C

A

A

R

R

G

G

E

G

L

I

V

V

D

D

D

E

A

G

A

A

L

L

A

R

A

A

L

L

E

Q

R

S

G

G

H

Q

L

C

A

A

G

G

C

A

A

A

L

L

D

D

V

V

G

-

R

-

A

F

A

T

D

E

Q

E

M

P

P

P

S

R

P

D

E

R

-

A

L

L

A

V

A

D

H

H

P

E

R

N

V

V

I

I

A

S

T

C

P

P

H

H

I

L

G

G

G

A

L

S

T

T

P

K

G

E

A

A

I

Q

E

S

H

R

Q

C

S

G

M

E

E

E

T

I

V

A

A

V

Q

Q

binding 2-methyl-~{N}-[(1~{R})-1-[4-(methylsulfonylcarbamoyl)phenyl]ethyl]-5-phenyl-pyrazole-3-carboxamide: L146 (≠ I154), Y169 (≠ S177), D170 (= D178), P171 (= P179), I173 (≠ A181), H201 (≠ L206), T202 (≠ A207), P203 (= P208), L211 (= L216)

6cwaA Crystal structure phgdh in complex with nadh and 3-phosphoglycerate at 1.77 a resolution (see paper)
32% identity, 80% coverage: 36:303/335 of query aligns to 26:296/299 of 6cwaA

query
sites
6cwaA

E

E

D

K

R

Q

E

N

L

L

T

S

L

K

T

E

E

E

L

L

A

I

D

A

A

E

A

L

R

Q

E

D

A

C

D

E

V

G

I

L

I

I

A

V

Y

R

R

S

Q

A

T

T

P

K

A

V

P

T

R

A

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

Q

A

V

F

V

V

G

R

R

C

A

A

G

V

T

D

G

I

V

R

D

T

N

V

V

D

D

V

L

D

E

A

A

S

T

E

R

L

K

G

G

V

I

L

L

V

V

T

M

Q

N

A

T

S

P

A

N

G

G

F
x
N

I

S

P

L

A

S

V
x
A

S

A

E

E

W

L

V

T

I

C

G

G

A

M

M

I

L

M

D

C

L

L

A

A

R

R

G

Q

T

I

T

P

A

Q

Y

A

A

T

E

A

A

S

Y

M

H

K

R

D

H

G

E

K

A

W

P

E

A

R

P

K

K

K

-

F

M

M

G

G

R

T

E

E

L

L

R

N

G

G

S

K

T

T

F

L

G

G

V

I

I

L

G

G

Y

L

G

G

Q
x
R

I
|
I

S

G

R

R

Y

E

L

V

C

A

P

T

L

R

A

M

S

Q

A

S

F

F

G

G

M

M

R

K

V

T

I

I

V

G

S
x
Y

D
|
D

P
|
P

Y
x
I

A

I

T

S

I

P

D

E

D

V

T

S

-

A

-

S

-

F

H

G

V

V

Q

Q

V

L

G

P

L

L

D

E

L

I

L

W

A

P

E

L

S

C

D

D

F

F

V

I

V

T

C

V

L
x
H

A
x
T

P
|
P

A

L

T

L

P

P

Q

S

T
|
T

A

T

N

G

L

L

M

L

N

N

A

D

Q

N

T

T

F

F

A

A

S

Q

M

C

K

K

A

K

G

G

A

V

Y

R

F

V

I

V

N

N

A
x
C

A
|
A

R
|
R

G

G

E

G

L

I

V

V

D

D

D

E

A

G

A

A

L

L

A

R

A

A

L

L

E

Q

R

S

G

G

H

Q

L

C

A

A

G

G

C

A

A

A

L

L

D

D

V

V

G

-

R

-

A

F

A

T

D

E

Q

E

M

P

P

P

S

R

P

D

E

R

-

A

L

L

A

V

A

D

H

H

P

E

R

N

V

V

I

I

A

S

T

C

P

P

H
|
H

I

L

G
|
G

G

A

L

S

T

T

P

K

G

E

A

A

I

Q

E

S

H

R

Q

C

S

G

M

E

E

E

T

I

V

A

A

V

Q

Q

binding 1,4-dihydronicotinamide adenine dinucleotide: N96 (≠ F106), A100 (≠ V110), R149 (≠ Q158), I150 (= I159), Y168 (≠ S177), D169 (= D178), P170 (= P179), I171 (≠ Y180), H200 (≠ L206), T201 (≠ A207), P202 (= P208), T207 (= T213), C228 (≠ A234), A229 (= A235), R230 (= R236), H277 (= H284), G279 (= G286)

7ewhA Crystal structure of human phgdh in complex with homoharringtonine (see paper)
32% identity, 80% coverage: 36:303/335 of query aligns to 27:297/302 of 7ewhA

query
sites
7ewhA

E

E

D

K

R

Q

E

N

L

L

T

S

L

K

T

E

E

E

L

L

A

I

D

A

A

E

A

L

R

Q

E

D

A

C

D

E

V

G

I

L

I

I

A

V

Y

R

R

S

Q

A

T

T

P

K

A

V

P

T

R

A

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

Q

A

V

F

V

V

G

R

R

C

A

A

G

V

T

D

G

I

V

R

D

T

N

V

V

D

D

V

L

D

E

A

A

S

T

E

R

L

K

G

G

V

I

L

L

V

V

T

M

Q

N

A

T

S

P

A

N

G

G

F

N

I

S

P

L

A

S

V

A

S

A

E

E

W

L

V

T

I

C

G

G

A

M

M

I

L

M

D

C

L

L

A

A

R

R

G

Q

T

I

T

P

A

Q

Y

A

A

T

E

A

A

S

Y

M

H

K

R

D

H

G

E

K

A

W

P

E

A

R

P

K

K

K

-

F

M

M

G

G

R

T

E

E

L

L

R

N

G

G

S

K

T

T

F

L

G

G

V

I

I
x
L

G
|
G

Y
x
L

G
|
G

Q
x
R

I
|
I

S
x
G

R

R

Y

E

L

V

C

A

P

T

L

R

A

M

S

Q

A

S

F

F

G

G

M

M

R

K

V

T

I

I

V

G

S

Y

D
|
D

P

P

Y

I

A

I

T

S

I

P

D

E

D

V

T

S

-

A

-

S

-

F

H

G

V

V

Q

Q

V

L

G

P

L

L

D

E

L

I

L

W

A

P

E

L

S

C

D

D

F

F

V

I

V

T

C

V

L
x
H

A
x
T

P
|
P

A

L

T

L

P

P

Q

S

T

T

A

T

N

G

L

L

M

L

N

N

A

D

Q

N

T

T

F

F

A

A

S

Q

M

C

K

K

A

K

G

G

A

V

Y

R

F

V

I

V

N

N

A

C

A

A

R

R

G

G

E

G

L

I

V

V

D

D

D

E

A

G

A

A

L

L

A

R

A

A

L

L

E

Q

R

S

G

G

H

Q

L

C

A

A

G

G

C

A

A

A

L

L

D

D

V

V

G

-

R

-

A

F

A

T

D

E

Q

E

M

P

P

P

S

R

P

D

E

R

-

A

L

L

A

V

A

D

H

H

P

E

R

N

V

V

I

I

A

S

T

C

P

P

H

H

I

L

G

G

G

A

L

S

T

T

P

K

G

E

A

A

I

Q

E

S

H

R

Q

C

S

G

M

E

E

E

T

I

V

A

A

V

Q

Q

binding (3beta)-O~3~-[(2R)-2,6-dihydroxy-2-(2-methoxy-2-oxoethyl)-6-methylheptanoyl]cephalotaxine: L146 (≠ I154), G147 (= G155), L148 (≠ Y156), G149 (= G157), R150 (≠ Q158), I151 (= I159), G152 (≠ S160), D170 (= D178), H201 (≠ L206), T202 (≠ A207), P203 (= P208)

6rj3A Crystal structure of phgdh in complex with compound 15 (see paper)
32% identity, 80% coverage: 36:303/335 of query aligns to 26:296/297 of 6rj3A

query
sites
6rj3A

E

E

D

K

R

Q

E

N

L

L

T

S

L

K

T

E

E

E

L

L

A

I

D

A

A

E

A

L

R

Q

E

D

A

C

D

E

V

G

I

L

I

I

A

V

Y

R

R

S

Q

A

T

T

P

K

A

V

P

T

R

A

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

Q

A

V

F

V

V

G

R

R

C

A

A

G

V

T

D

G

I

V

R

D

T

N

V

V

D

D

V

L

D

E

A

A

S

T

E

R

L

K

G

G

V

I

L

L

V

V

T

M

Q

N

A

T

S

P

A

N

G

G

F

N

I

S

P

L

A

S

V

A

S

A

E

E

W

L

V

T

I

C

G

G

A

M

M

I

L

M

D

C

L

L

A

A

R

R

G

Q

T

I

T

P

A

Q

Y

A

A

T

E

A

A

S

Y

M

H

K

R

D

H

G

E

K

A

W

P

E

A

R

P

K

K

K

-

F

M

M

G

G

R

T

E

E

L

L

R

N

G

G

S

K

T

T

F

L

G

G

V

I

I
x
L

G

G

Y

L

G

G

Q

R

I

I

S

G

R

R

Y

E

L

V

C

A

P

T

L

R

A

M

S

Q

A

S

F

F

G

G

M

M

R

K

V

T

I

I

V

G

S
x
Y

D
|
D

P
|
P

Y
x
I

A
x
I

T

S

I

P

D

E

D

V

T

S

-

A

-

S

-

F

H

G

V

V

Q

Q

V

L

G

P

L

L

D

E

L

I

L

W

A

P

E

L

S

C

D

D

F

F

V

I

V

T

C

V

L
x
H

A
x
T

P
|
P

A

L

T

L

P

P

Q

S

T

T

A

T

N

G

L
|
L

M

L

N

N

A

D

Q

N

T

T

F

F

A

A

S

Q

M

C

K

K

A

K

G

G

A

V

Y

R

F

V

I

V

N

N

A

C

A

A

R

R

G

G

E

G

L

I

V

V

D

D

D

E

A

G

A

A

L

L

A

R

A

A

L

L

E

Q

R

S

G

G

H

Q

L

C

A

A

G

G

C

A

A

A

L

L

D

D

V

V

G

-

R

-

A

F

A

T

D

E

Q

E

M

P

P

P

S

R

P

D

E

R

-

A

L

L

A

V

A

D

H

H

P

E

R

N

V

V

I

I

A

S

T

C

P

P

H

H

I

L

G

G

G

A

L

S

T

T

P

K

G

E

A

A

I

Q

E

S

H

R

Q

C

S

G

M

E

E

E

T

I

V

A

A

V

Q

Q

binding 4-[(1~{R})-1-[(2-methyl-5-phenyl-pyrazol-3-yl)carbonylamino]ethyl]benzoic acid: L145 (≠ I154), Y168 (≠ S177), D169 (= D178), P170 (= P179), I171 (≠ Y180), I172 (≠ A181), H200 (≠ L206), T201 (≠ A207), P202 (= P208), L210 (= L216)

6rihA Crystal structure of phgdh in complex with compound 9 (see paper)
32% identity, 80% coverage: 36:303/335 of query aligns to 27:297/302 of 6rihA

query
sites
6rihA

E

E

D

K

R

Q

E

N

L

L

T

S

L

K

T

E

E

E

L

L

A

I

D

A

A

E

A

L

R

Q

E

D

A

C

D

E

V

G

I

L

I

I

A

V

Y

R

R

S

Q

A

T

T

P

K

A

V

P

T

R

A

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

Q

A

V

F

V

V

G

R

R

C

A

A

G

V

T

D

G

I

V

R

D

T

N

V

V

D

D

V

L

D

E

A

A

S

T

E

R

L

K

G

G

V

I

L

L

V

V

T

M

Q

N

A

T

S

P

A

N

G

G

F

N

I

S

P

L

A

S

V

A

S

A

E

E

W

L

V

T

I

C

G

G

A

M

M

I

L

M

D

C

L

L

A

A

R

R

G

Q

T

I

T

P

A

Q

Y

A

A

T

E

A

A

S

Y

M

H

K

R

D

H

G

E

K

A

W

P

E

A

R

P

K

K

K

-

F

M

M

G

G

R

T

E

E

L

L

R

N

G

G

S

K

T

T

F

L

G

G

V

I

I

L

G

G

Y

L

G
|
G

Q

R

I

I

S

G

R

R

Y

E

L

V

C

A

P

T

L

R

A

M

S

Q

A

S

F

F

G

G

M

M

R

K

V

T

I

I

V

G

S
x
Y

D
|
D

P
|
P

Y
x
I

A
x
I

T

S

I

P

D

E

D

V

T

S

-

A

-

S

-

F

H

G

V

V

Q

Q

V

L

G

P

L

L

D

E

L

I

L

W

A

P

E

L

S

C

D

D

F

F

V

I

V

T

C

V

L

H

A
x
T

P
|
P

A

L

T

L

P

P

Q

S

T

T

A

T

N

G

L
|
L

M

L

N

N

A

D

Q

N

T

T

F

F

A

A

S

Q

M

C

K

K

A

K

G

G

A

V

Y

R

F

V

I

V

N

N

A

C

A

A

R

R

G

G

E

G

L

I

V

V

D

D

D

E

A

G

A

A

L

L

A

R

A

A

L

L

E

Q

R

S

G

G

H

Q

L

C

A

A

G

G

C

A

A

A

L

L

D

D

V

V

G

-

R

-

A

F

A

T

D

E

Q

E

M

P

P

P

S

R

P

D

E

R

-

A

L

L

A

V

A

D

H

H

P

E

R

N

V

V

I

I

A

S

T

C

P

P

H

H

I

L

G

G

G

A

L

S

T

T

P

K

G

E

A

A

I

Q

E

S

H

R

Q

C

S

G

M

E

E

E

T

I

V

A

A

V

Q

Q

binding ~{N}-cyclopropyl-2-methyl-5-phenyl-pyrazole-3-carboxamide: G149 (= G157), Y169 (≠ S177), D170 (= D178), P171 (= P179), I172 (≠ Y180), I173 (≠ A181), T202 (≠ A207), P203 (= P208), L211 (= L216)

7dkmA Phgdh covalently linked to oridonin (see paper)
32% identity, 80% coverage: 36:303/335 of query aligns to 28:298/306 of 7dkmA

query
sites
7dkmA

E

E

D

K

R

Q

E

N

L

L

T

S

L

K

T

E

E

E

L

L

A

I

D

A

A

E

A

L

R

Q

E

D

A

C

D

E

V

G

I

L

I

I

A

V

Y

R

R

S

Q

A

T

T

P

K

A

V

P

T

R

A

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

Q

A

V

F

V

V

G

R

R

C

A

A

G

V
x
T

D

G

I

V

R

D

T

N

V

V

D

D

V

L

D

E

A

A

S

T

E

R

L

K

G

G

V

I

L

L

V

V

T

M

Q

N

A

T

S

P

A

N

G

G

F

N

I

S

P

L

A

S

V
x
A

S

A

E

E

W

L

V

T

I

C

G

G

A

M

M

I

L

M

D

C

L

L

A

A

R

R

G

Q

T

I

T

P

A

Q

Y

A

A

T

E

A

A

S

Y

M

H

K

R

D

H

G

E

K

A

W

P

E

A

R

P

K

K

K

-

F

M

M

G

G

R

T

E

E

L

L

R

N

G

G

S

K

T

T

F

L

G

G

V

I

I

L

G
|
G

Y

L

G

G

Q
x
R

I
|
I

S

G

R

R

Y

E

L

V

C

A

P

T

L

R

A

M

S

Q

A

S

F

F

G

G

M

M

R

K

V

T

I

I

V

G

S
x
Y

D
|
D

P
|
P

Y
x
I

A

I

T

S

I

P

D

E

D

V

T

S

-

A

-

S

-

F

H

G

V

V

Q

Q

V

L

G

P

L

L

D

E

L

I

L

W

A

P

E

L

S

C

D

D

F

F

V

I

V

T

C

V

L
x
H

A
x
T

P
|
P

A

L

T

L

P

P

Q

S

T
|
T

A

T

N

G

L

L

M

L

N

N

A

D

Q

N

T

T

F

F

A

A

S

Q

M

C

K

K

A

K

G

G

A

V

Y

R

F

V

I

V

N

N

A
x
C

A
|
A

R
|
R

G

G

E

G

L

I

V

V

D

D

D

E

A

G

A

A

L

L

A

R

A

A

L

L

E

Q

R

S

G

G

H

Q

L

C

A

A

G

G

C

A

A

A

L

L

D

D

V

V

G

-

R

-

A

F

A

T

D

E

Q

E

M

P

P

P

S

R

P

D

E

R

-

A

L

L

A

V

A

D

H

H

P

E

R

N

V

V

I

I

A

S

T

C

P

P

H
|
H

I

L

G
|
G

G

A

L

S

T

T

P

K

G

E

A

A

I

Q

E

S

H

R

Q

C

S

G

M
x
E

E

E

T

I

V

A

A

V

Q

Q

binding nicotinamide-adenine-dinucleotide: T74 (≠ V82), A102 (≠ V110), G148 (= G155), R151 (≠ Q158), I152 (= I159), Y170 (≠ S177), D171 (= D178), P172 (= P179), I173 (≠ Y180), H202 (≠ L206), T203 (≠ A207), P204 (= P208), T209 (= T213), C230 (≠ A234), A231 (= A235), R232 (= R236), H279 (= H284), G281 (= G286)
binding (1beta,6beta,7beta,8alpha,9beta,10alpha,13alpha,14R,16beta)-1,6,7,14-tetrahydroxy-7,20-epoxykauran-15-one: E293 (≠ M298)

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

6plgA Crystal structure of human phgdh complexed with compound 15 (see paper)
32% identity, 80% coverage: 36:303/335 of query aligns to 27:297/303 of 6plgA

query
sites
6plgA

E

E

D

K

R

Q

E

N

L

L

T

S

L

K

T

E

E

E

L

L

A

I

D

A

A

E

A

L

R

Q

E

D

A

C

D

E

V

G

I

L

I

I

A

V

Y

R

R

S

Q

A

T

T

P

K

A

V

P

T

R

A

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

Q

A

V

F

V

V

G

R

R

C

A

A

G

V

T

D

G

I

V

R

D

T

N

V

V

D

D

V

L

D

E

A

A

S

T

E

R

L

K

G

G

V

I

L

L

V

V

T

M

Q

N

A

T

S

P

A

N

G

G

F

N

I

S

P

L

A

S

V

A

S

A

E

E

W

L

V

T

I

C

G

G

A

M

M

I

L

M

D

C

L

L

A

A

R

R

G

Q

T

I

T

P

A

Q

Y

A

A

T

E

A

A

S

Y

M

H

K

R

D

H

G

E

K

A

W

P

E

A

R

P

K

K

K

-

F

M

M

G

G

R

T

E

E

L

L

R

N

G

G

S

K

T

T

F

L

G

G

V

I

I

L

G

G

Y

L

G
|
G

Q
x
R

I

I

S

G

R

R

Y

E

L

V

C

A

P

T

L

R

A

M

S

Q

A

S

F

F

G

G

M

M

R

K

V

T

I

I

V

G

S

Y

D
|
D

P
|
P

Y
x
I

A
x
I

T

S

I

P

D

E

D

V

T

S

-

A

-

S

-

F

H

G

V

V

Q

Q

V

L

G

P

L

L

D

E

L

I

L

W

A

P

E

L

S

C

D

D

F

F

V

I

V

T

C

V

L
x
H

A
x
T

P

P

A

L

T
x
L

P

P

Q

S

T

T

A

T

N

G

L

L

M

L

N

N

A

D

Q

N

T

T

F

F

A

A

S

Q

M

C

K

K

A

K

G

G

A

V

Y

R

F

V

I

V

N

N

A

C

A

A

R

R

G

G

E

G

L

I

V

V

D

D

D

E

A

G

A

A

L

L

A

R

A

A

L

L

E

Q

R

S

G

G

H

Q

L

C

A

A

G

G

C

A

A

A

L

L

D

D

V

V

G

-

R

-

A

F

A

T

D

E

Q

E

M

P

P

P

S

R

P

D

E

R

-

A

L

L

A

V

A

D

H

H

P

E

R

N

V

V

I

I

A

S

T

C

P

P

H

H

I

L

G

G

G

A

L

S

T

T

P

K

G

E

A

A

I

Q

E

S

H

R

Q

C

S

G

M

E

E

E

T

I

V

A

A

V

Q

Q

binding (2S)-(4-{3-[(4,5-dichloro-1-methyl-1H-indole-2-carbonyl)amino]oxetan-3-yl}phenyl)(pyridin-3-yl)acetic acid: G149 (= G157), R150 (≠ Q158), D170 (= D178), P171 (= P179), I172 (≠ Y180), I173 (≠ A181), H201 (≠ L206), T202 (≠ A207), L205 (≠ T210)

6rj2A Crystal structure of phgdh in complex with compound 40 (see paper)
32% identity, 80% coverage: 36:303/335 of query aligns to 24:294/299 of 6rj2A

query
sites
6rj2A

E

E

D

K

R

Q

E

N

L

L

T

S

L

K

T

E

E

E

L

L

A

I

D

A

A

E

A

L

R

Q

E

D

A

C

D

E

V

G

I

L

I

I

A

V

Y

R

R

S

Q

A

T

T

P

K

A

V

P

T

R

A

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

Q

A

V

F

V

V

G

R

R

C

A

A

G

V

T

D

G

I

V

R

D

T

N

V

V

D

D

V

L

D

E

A

A

S

T

E

R

L

K

G

G

V

I

L

L

V

V

T

M

Q

N

A

T

S

P

A

N

G

G

F

N

I

S

P

L

A

S

V

A

S

A

E

E

W

L

V

T

I

C

G

G

A

M

M

I

L

M

D

C

L

L

A

A

R

R

G

Q

T

I

T

P

A

Q

Y

A

A

T

E

A

A

S

Y

M

H

K

R

D

H

G

E

K

A

W

P

E

A

R

P

K

K

K

-

F

M

M

G

G

R

T

E

E

L

L

R

N

G

G

S

K

T

T

F

L

G

G

V

I

I

L

G

G

Y

L

G
|
G

Q

R

I
|
I

S

G

R

R

Y

E

L

V

C

A

P

T

L

R

A

M

S

Q

A

S

F

F

G

G

M

M

R

K

V

T

I

I

V

G

S
x
Y

D
|
D

P
|
P

Y
x
I

A
x
I

T

S

I

P

D

E

D

V

T

S

-

A

-

S

-

F

H

G

V

V

Q

Q

V

L

G

P

L

L

D

E

L

I

L

W

A

P

E

L

S

C

D

D

F

F

V

I

V

T

C

V

L
x
H

A
x
T

P

P

A

L

T

L

P

P

Q

S

T

T

A

T

N

G

L
|
L

M

L

N

N

A

D

Q

N

T

T

F

F

A

A

S

Q

M

C

K

K

A

K

G

G

A

V

Y

R

F

V

I

V

N

N

A

C

A

A

R
|
R

G

G

E

G

L

I

V

V

D

D

D

E

A

G

A

A

L

L

A

R

A

A

L

L

E

Q

R

S

G

G

H

Q

L

C

A

A

G

G

C

A

A

A

L

L

D

D

V

V

G

-

R

-

A

F

A

T

D

E

Q

E

M

P

P

P

S

R

P

D

E

R

-

A

L

L

A

V

A

D

H

H

P

E

R

N

V

V

I

I

A

S

T

C

P

P

H

H

I

L

G

G

G

A

L

S

T

T

P

K

G

E

A

A

I

Q

E

S

H

R

Q

C

S

G

M

E

E

E

T

I

V

A

A

V

Q

Q

binding ~{N}-[(1~{R})-1-[4-(ethanoylsulfamoyl)phenyl]ethyl]-2-methyl-5-phenyl-pyrazole-3-carboxamide: G146 (= G157), I148 (= I159), Y166 (≠ S177), D167 (= D178), P168 (= P179), I169 (≠ Y180), I170 (≠ A181), H198 (≠ L206), T199 (≠ A207), L208 (= L216), R228 (= R236)

3ddnB Crystal structure of hydroxypyruvic acid phosphate bound d-3- phosphoglycerate dehydrogenase in mycobacterium tuberculosis (see paper)
33% identity, 93% coverage: 7:318/335 of query aligns to 1:312/525 of 3ddnB

query
sites
3ddnB

S

S

H

L

P

P

R

V

H

V

M

L

L

I

D

A

H

D

Y

K

F

L

G

A

T

P

R

S

A

T

A

V

A

A

L

L

A

G

K

D

F

Q

A

V

D

E

V

V

T

R

Y

W

-

V

N

D

S

G

E

P

D

D

R

R

E

D

L

-

T

-

L

-

T

-

E

K

L

L

A

L

D

A

A

A

A

V

R

P

E

E

A

A

D

D

V

A

I

L

A

V

Y

R

R

S

Q

A

T

T

P

T

A

V

P

D

R

A

A

E

L

V

F

L

E

A

A

A

L

A

P

P

K

K

L

L

A

K

A

I

F

V

V

A

R
|
R

C

A

A

G

V
|
V

D

G

I

L

R

D

T

N

V

V

D

D

V

V

D

D

A

A

S

T

E

A

L

R

G

G

V

V

L

L

V

V

T

V

Q

N

A

A

S

P

A

T

G

S

F
x
N

I

I

P

H

A

S

V

A

S

A

E

E

W

H

V

A

I

L

G

A

A

L

M

L

L

L

D

A

L

A

A

S

R

R

G

Q

T

I

T

P

A

A

Y

A

A

D

E

A

A

S

Y

L

H

R

R

E

H

H

E

T

A

W

P

K

A

R

P

S

K

S

M

F

-

S

G

G

R

T

E

E

L

I

R

F

G

G

S

K

T

T

F

V

G

G

V

V

I

V

G

G

Y

L

G

G

Q

R

I

I

S

G

R

Q

Y

L

L

V

C

A

P

Q

L

R

A

I

S

A

A

A

F

F

G

G

M

A

R

Y

V

V

I

V

V

A

S

Y

D

D

P

P

Y

Y

-

V

-

S

-

P

A

A

T

R

I

A

D

A

D

Q

T

L

H

G

V

I

Q

E

Q

L

V

L

G

S

L

L

D

D

L

L

A

A

E

R

S

A

D

D

F

F

V

I

V

S

C

V

L

H

A

L

P

P

A

K

T

T

P

P

Q

E

T

T

A

A

N

G

L

L

M

I

N

D

A

K

Q

E

T

A

F

L

A

A

S

K

M

T

K

K

A

P

G

G

A

V

Y

I

F

I

I

V

N

N

A

A

R
|
R

G

G

E

G

L

L

V

V

D

D

D

E

A

A

L

L

L

A

A

D

A

A

L

I

E

T

R

G

G

G

H

H

L

V

A

R

G

A

C

A

A

G

L

L

D
|
D

V

V

G

F

R

A

A

T

A
x
E

D

P

Q

C

M

T

P

D

S

S

P

P

-

L

-

F

E

E

L

L

A

A

A

-

H

-

P

-

R

Q

V

V

I

V

A

V

T

T

P

P

H
|
H

I

L

G

G

G
x
A

L

S

T

T

P

A

G

E

A

A

I
x
Q

E

D

H

R

Q

A

S

G

M

T

E

D

T

V

V

A

A

E

Q

S

T

V

Q

R

A

L

L

A

F

L

Q

A

G

G

R

E

M

F

P

V

A

P

G

D

A

A

V

V

N

N

active site: N97 (≠ F106), R231 (= R236), D255 (= D260), E260 (≠ A265), H278 (= H284)
binding 2-oxo-3-(phosphonooxy)propanoic acid: R70 (= R79), V73 (= V82), N97 (≠ F106), A281 (≠ G287), Q287 (≠ I293)

3dc2A Crystal structure of serine bound d-3-phosphoglycerate dehydrogenase from mycobacterium tuberculosis (see paper)
32% identity, 93% coverage: 9:318/335 of query aligns to 2:311/526 of 3dc2A

query
sites
3dc2A

P

P

R

V

H

V

M

L

L

I

D

A

H

D

Y

K

F

L

G

A

T

P

R

S

A

T

A

V

A

A

L

L

A

G

K

D

F

Q

A

V

D

E

V

V

T

R

Y

W

-

V

N

D

S

G

E

P

D

D

R

R

E

D

L

-

T

-

L

-

T

-

E

K

L

L

A

L

D

A

A

A

A

V

R

P

E

E

A

A

D

D

V

A

I

L

A

V

Y

R

R

S

Q

A

T

T

P

T

A

V

P

D

R

A

A

E

L

V

F

L

E

A

A

A

L

A

P

P

K

K

L

L

A

K

A

I

F

V

V

A

R

R

C

A

A

G

V

V

D

G

I

L

R

D

T

N

V

V

D

D

V

V

D

D

A

A

S

T

E

A

L

R

G

G

V

V

L

L

V

V

T

V

Q

N

A

A

S

P

A

T

G

S

F
x
N

I

I

P

H

A

S

V

A

S

A

E

E

W

H

V

A

I

L

G

A

A

L

M

L

L

L

D

A

L

A

A

S

R

R

G

Q

T

I

T

P

A

A

Y

A

A

D

E

A

A

S

Y

L

H

R

R

E

H

H

E

T

A

W

P

K

A

R

P

S

K

S

M

F

-

S

G

G

R

T

E

E

L

I

R

F

G

G

S

K

T

T

F

V

G

G

V

V

I

V

G

G

Y

L

G

G

Q

R

I

I

S

G

R

Q

Y

L

L

V

C

A

P

Q

L

R

A

I

S

A

A

A

F

F

G

G

M

A

R

Y

V

V

I

V

V

A

S

Y

D

D

P

P

Y

Y

-

V

-

S

-

P

A

A

T

R

I

A

D

A

D

Q

T

L

H

G

V

I

Q

E

Q

L

V

L

G

S

L

L

D

D

L

L

A

A

E

R

S

A

D

D

F

F

V

I

V

S

C

V

L

H

A

L

P

P

A

K

T

T

P

P

Q

E

T

T

A

A

N

G

L

L

M

I

N

D

A

K

Q

E

T

A

F

L

A

A

S

K

M

T

K

K

A

P

G

G

A

V

Y

I

F

I

I

V

N

N

A

A

R
|
R

G

G

E

G

L

L

V

V

D

D

D

E

A

A

L

L

L

A

A

D

A

A

L

I

E

T

R

G

G

G

H

H

L

V

A

R

G

A

C

A

A

G

L

L

D
|
D

V

V

G

F

R

A

A

T

A
x
E

D

P

Q

C

M

T

P

D

S

S

P

P

-

L

-

F

E

E

L

L

A

A

A

-

H

-

P

-

R

Q

V

V

I

V

A

V

T

T

P

P

H
|
H

I

L

G

G

G

A

L

S

T

T

P

A

G

E

A

A

I

Q

E

D

H

R

Q

A

S

G

M

T

E

D

T

V

V

A

A

E

Q

S

T

V

Q

R

A

L

L

A

F

L

Q

A

G

G

R

E

M

F

P

V

A

P

G

D

A

A

V

V

N

N

active site: N96 (≠ F106), R230 (= R236), D254 (= D260), E259 (≠ A265), H277 (= H284)

Sites not aligning to the query:

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

2p9eA Crystal structure of g336v mutant of e.Coli phosphoglycerate dehydrogenase (see paper)
37% identity, 78% coverage: 44:303/335 of query aligns to 42:307/406 of 2p9eA

query
sites
2p9eA

E

Q

L

L

A

K

D

E

A

S

A

I

R

R

E

D

A

A

D

H

V

F

I

I

I

G

A

L

Y

R

R

S

Q

R

T

T

P

H

A

L

P

T

R

E

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

V

A

A

F

I

V

G

R

A

C

F

A

A

V

I

D

G

I

T

R

N

T

Q

V

V

D

D

V

L

D

D

A

A

S

A

E

K

L

R

G

G

V

I

L

P

V

V

T

F

Q

N

A

A

S

P

A

F

G

S

F
x
N

I

T

P

R

A

S

V

V

S

A

E

E

W

L

V

V

I

I

G

G

A

E

M

L

L

L

D

L

L

L

A

L

R

R

G

G

T

V

T

P

A

E

Y

A

A

N

E

A

A

K

Y

A

H

H

R

R

H

G

E

V

A

W

P

N

A

K

P

L

K

A

M

A

G

G

R

S

-

F

E

E

L

A

R

R

G

G

S

K

T

K

F

L

G

G

V

I

I

I

G

G

Y

Y

G
|
G

Q
x
H

I
|
I

S

G

R

T

Y

Q

L

L

C

G

P

I

L

L

A

A

S

E

A

S

F

L

G

G

M

M

R

Y

V

V

I

Y

V

F

S
x
Y

D
|
D

P
x
I

Y

E

A

N

T

K

I

L

-

P

-

L

-

G

D

N

D

A

T

T

H

Q

V

V

Q

Q

Q

H

V

-

G

-

L

L

D

S

D

D

L

L

A

N

E

M

S

S

D

D

F

V

V

V

V

S

C

L

L
x
H

A
x
V

P
|
P

A

E

T

N

P

P

Q
x
S

T

T

A

K

N

N

L

M

M

M

N

G

A

A

Q

K

T

E

F

I

A

S

S

L

M

M

K

K

A

P

G

G

A

S

Y

L

F

L

I

I

N

N

A
|
A

A
x
S

R
|
R

G

G

E

T

L

V

V

V

D

D

D

I

A

P

A

A

L

L

L

A

A

D

A

A

L

L

E

A

R

S

G

K

H

H

L

L

A

A

G

G

C

A

A

A

L

I

D
|
D

V

V

-

F

-

P

-

T

-
x
E

-

P

G

A

R

T

A

N

A

S

D

D

Q

P

M

F

P

T

S

S

P

P

E

-

L

L

A

A

A

E

H

F

P

D

R

N

V

V

I

L

A

L

T

T

P

P

H
|
H

I

I

G
|
G

G

G

L

S

T

T

P

Q

G

E

A

A

I

Q

E

E

H

N

Q

I

S

G

M

L

E

E

T

V

V

A

A

G

Q

K

active site: N104 (≠ F106), R236 (= R236), D260 (= D260), E265 (vs. gap), H288 (= H284)
binding 1,4-dihydronicotinamide adenine dinucleotide: G156 (= G157), H157 (≠ Q158), I158 (= I159), Y176 (≠ S177), D177 (= D178), I178 (≠ P179), H206 (≠ L206), V207 (≠ A207), P208 (= P208), S212 (≠ Q212), A234 (= A234), S235 (≠ A235), R236 (= R236), H288 (= H284), G290 (= G286)

3kb6B Crystal structure of d-lactate dehydrogenase from aquifex aeolicus complexed with NAD and lactic acid (see paper)
28% identity, 93% coverage: 1:312/335 of query aligns to 1:322/334 of 3kb6B

query
sites
3kb6B

M

M

N

N

K

V

V

L

F

F

V

T

S

S

H

V

P

P

R

Q

H

E

M

D

L

V

D

P

H

F

Y

Y

F

-

G

-

T

-

R

-

A

-

A

Q

A

E

A

A

L

L

A

K

K

D

F

L

A

S

D

L

V

K

T

I

Y

Y

N

T

S

T

E

D

D

V

R

S

E

K

L

V

T

P

L

E

T

N

E

E

L

L

A

-

D

-

A

-

R

K

E

K

A

A

D

E

V

L

I

I

I

S

A

V

Y
x
F

R

V

Q

Y

T

D

P

K

A

L

P

T

R

E

A

E

L

L

F

L

E

S

A

K

L

M

P

P

K

R

L

L

A

K

A

L

F

I

V

H

R

T

C

R

A
x
S

V
|
V

D
x
G

I

F

R

D

T

H

V

I

D

D

V

L

D

D

A

Y

A

C

S

K

E

K

L

K

G

G

V

I

L

L

V

V

T

T

Q

H

A

I

S

P

A

A

G
x
Y

F
x
S

I

P

P

E

A

S

V
|
V

S

A

E

E

W

H

V

T

I

F

G

A

A

M

M

I

L

L

D

T

L

L

A

V

R

K

G

R

T

L

T

K

A

R

Y

I

A

E

E

D

A

R

Y

V

H

K

R

K

-

L

-

N

H

F

E

S

A

Q

P

D

A

S

P

E

K

I

M

L

G

A

R

R

E

E

L

L

R

N

G

R

S

L

T

T

F

L

G

G

V

V

I

I

G

G

Y

T

G
|
G

Q
x
R

I
|
I

S

G

R

S

Y

R

L

V

C

A

P

M

L

Y

A

G

S

L

A

A

F

F

G

G

M

M

R

K

V

V

I

L

V

C

S

-

D

-

P

-

Y

Y

A
x
D

T
x
V

I

V

D

K

D

R

T

E

H

D

V

L

Q

K

Q

E

V

K

G

G

-

C

-

V

-

Y

-

T

-

S

L

L

D

D

D

E

L

L

A

K

E

E

S

S

D

D

F

V

V

I

V

S

C

L

L

H

A

V

P
|
P

A

Y

T

T

P

K

Q

E

T

T

A

H

N

H

L

M

M

I

N

N

A

E

Q

E

T

R

F

I

A

S

S

L

M

M

K

K

A

D

G

G

A

V

Y

Y

F

L

I

I

N

N

A
x
T

A
|
A

R
|
R

G

G

E

K

L

V

V

V

D

D

D

T

A

D

A

A

L

L

L

Y

A

R

A

A

L

Y

E

Q

R

R

G

G

H

K

L

F

A

S

G

G

C

L

A

G

L

L

D
|
D

V

V

-

F

-

E

-

D

-
x
E

-

E

-

I

-

L

-

I

-

L

-

K

-

Y

-

T

-

E

G

G

R

K

A

A

A

T

D

D

Q

K

-

N

M

L

P

K

S

I

P

L

E

E

L

L

A

A

A

C

H

K

P

D

R

N

V

V

I

I

A

I

T

T

P

P

H
|
H

I

I

G
x
A

G
x
Y

L

Y

T

T

P

D

G

K

A

S

I

L

E

E

H

R

Q

I

S

R

M

E

E

E

T

T

V

V

A

K

Q

V

T

V

Q

K

A

A

L

F

F

V

Q

K

G

G

R

D

M

L

active site: S97 (≠ F106), R231 (= R236), D255 (= D260), E260 (vs. gap), H294 (= H284)
binding lactic acid: F49 (≠ Y58), S72 (≠ A81), V73 (= V82), G74 (≠ D83), Y96 (≠ G105), R231 (= R236), H294 (= H284)
binding nicotinamide-adenine-dinucleotide: V73 (= V82), Y96 (≠ G105), V101 (= V110), G150 (= G157), R151 (≠ Q158), I152 (= I159), D171 (≠ A181), V172 (≠ T182), P203 (= P208), T229 (≠ A234), A230 (= A235), R231 (= R236), H294 (= H284), A296 (≠ G286), Y297 (≠ G287)

P0A9T0 D-3-phosphoglycerate dehydrogenase; PGDH; 2-oxoglutarate reductase; EC 1.1.1.95; EC 1.1.1.399 from Escherichia coli (strain K12) (see 2 papers)
36% identity, 78% coverage: 44:303/335 of query aligns to 46:311/410 of P0A9T0

query
sites
P0A9T0

E

Q

L

L

A

K

D

E

A

S

A

I

R

R

E

D

A

A

D

H

V

F

I

I

I

G

A

L

Y

R

R

S

Q

R

T

T

P

H

A

L

P

T

R

E

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

V

A

A

F

I

V

G

R

C

C

F

A

C

V

I

D

G

I

T

R

N

T

Q

V

V

D

D

V

L

D

D

A

A

S

A

E

K

L

R

G

G

V

I

L

P

V

V

T

F

Q

N

A

A

S

P

A

F

G

S

F

N

I

T

P

R

A

S

V

V

S

A

E

E

W

L

V

V

I

I

G

G

A

E

M

L

L

L

D

L

L

L

A

L

R

R

G

G

T

V

T

P

A

E

Y

A

A

N

E

A

A

K

Y

A

H

H

R

R

H

G

E

V

A

W

P

N

A

K

P

L

K

A

M

A

G

G

R

S

-

F

E

E

L

A

R

R

G

G

S

K

T

K

F

L

G

G

V

I

I

I

G

G

Y

Y

G

G

Q
x
H

I
|
I

S

G

R

T

Y

Q

L

L

C

G

P

I

L

L

A

A

S

E

A

S

F

L

G

G

M

M

R

Y

V

V

I

Y

V

F

S

Y

D
|
D

P

I

Y

E

A

N

T

K

I

L

-

P

-

L

-

G

D

N

D

A

T

T

H

Q

V

V

Q

Q

Q

H

V

-

G

-

L

L

D

S

D

D

L

L

A

N

E

M

S

S

D

D

F

V

V

V

V

S

C

L

L

H

A

V

P

P

A

E

T

N

P

P

Q

S

T

T

A

K

N

N

L

M

M

M

N

G

A

A

Q

K

T

E

F

I

A

S

S

L

M

M

K

K

A

P

G

G

A

S

Y

L

F

L

I

I

N

N

A
|
A

A
x
S

R
|
R

G

G

E

T

L

V

V

V

D

D

D

I

A

P

A

A

L

L

L

C

A

D

A

A

L

L

E

A

R

S

G

K

H

H

L

L

A

A

G

G

C

A

A

A

L

I

D
|
D

V

V

-

F

-

P

-

T

-

E

-

P

G

A

R

T

A

N

A

S

D

D

Q

P

M

F

P

T

S

S

P

P

E

-

L

L

A

C

A

E

H

F

P

D

R

N

V

V

I

L

A

L

T

T

P

P

H
|
H

I
|
I

G
|
G

L

S

T

T

P

Q

G

E

A

A

I

Q

E

E

H

N

Q

I

S

G

M

L

E

E

T

V

V

A

A

G

Q

K

HI 161:162 (≠ QI 158:159) binding
D181 (= D178) binding
ASR 238:240 (≠ AAR 234:236) binding
D264 (= D260) binding
HIGG 292:295 (= HIGG 284:287) binding

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1ybaA The active form of phosphoglycerate dehydrogenase (see paper)
36% identity, 78% coverage: 44:303/335 of query aligns to 42:307/406 of 1ybaA

query
sites
1ybaA

E

Q

L

L

A

K

D

E

A

S

A

I

R

R

E

D

A

A

D

H

V

F

I

I

I

G

A

L

Y
x
R

R
x
S

Q

R

T

T

P

H

A

L

P

T

R

E

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

V

A

A

F

I

V

G

R

C

C

F

A
x
C

V
x
I

D
x
G

I

T

R
x
N

T

Q

V

V

D

D

V

L

D

D

A

A

S

A

E

K

L

R

G

G

V

I

L

P

V

V

T

F

Q

N

A

A

S

P

A
x
F

G

S

F
x
N

I

T

P

R

A

S

V
|
V

S

A

E

E

W

L

V

V

I

I

G

G

A

E

M

L

L

L

D

L

L

L

A

L

R

R

G

G

T

V

T

P

A

E

Y

A

A

N

E

A

A

K

Y

A

H

H

R

R

H

G

E

V

A

W

P

N

A

K

P

L

K

A

M

A

G

G

R

S

-

F

E

E

L

A

R

R

G

G

S

K

T

K

F

L

G

G

V

I

I

I

G
|
G

Y

Y

G
|
G

Q
x
H

I
|
I

S

G

R

T

Y

Q

L

L

C

G

P

I

L

L

A

A

S

E

A

S

F

L

G

G

M

M

R

Y

V

V

I

Y

V

F

S
x
Y

D
|
D

P
x
I

Y

E

A

N

T
x
K

I

L

-

P

-

L

-

G

D

N

D

A

T

T

H

Q

V

V

Q

Q

Q

H

V

-

G

-

L

L

D

S

D

D

L

L

A

N

E

M

S

S

D

D

F

V

V

V

V

S

C

L

L
x
H

A
x
V

P
|
P

A

E

T

N

P

P

Q

S

T

T

A

K

N

N

L

M

M

M

N

G

A

A

Q

K

T

E

F

I

A

S

S

L

M

M

K

K

A

P

G

G

A

S

Y

L

F

L

I

I

N

N

A
|
A

A
x
S

R
|
R

G

G

E

T

L

V

V

V

D

D

D

I

A

P

A

A

L

L

L

C

A

D

A

A

L

L

E

A

R

S

G

K

H

H

L

L

A

A

G

G

C

A

A

A

L

I

D
|
D

V

V

-

F

-

P

-

T

-
x
E

-

P

G

A

R

T

A

N

A

S

D

D

Q

P

M

F

P

T

S

S

P

P

E

-

L

L

A

C

A

E

H

F

P

D

R

N

V

V

I

L

A

L

T

T

P

P

H
|
H

I

I

G
|
G

G

G

L

S

T

T

P

Q

G

E

A

A

I

Q

E

E

H

N

Q

I

S

G

M

L

E

E

T

V

V

A

A

G

Q

K

active site: N104 (≠ F106), R236 (= R236), D260 (= D260), E265 (vs. gap), H288 (= H284)
binding 2-oxoglutaric acid: R56 (≠ Y58), S57 (≠ R59), C79 (≠ A81), I80 (≠ V82)
binding nicotinamide-adenine-dinucleotide: I80 (≠ V82), F102 (≠ A104), V108 (= V110), G154 (= G155), G156 (= G157), H157 (≠ Q158), I158 (= I159), Y176 (≠ S177), D177 (= D178), I178 (≠ P179), K181 (≠ T182), H206 (≠ L206), V207 (≠ A207), P208 (= P208), A234 (= A234), S235 (≠ A235), R236 (= R236), H288 (= H284), G290 (= G286)
binding phosphate ion: G81 (≠ D83), N83 (≠ R85)

1psdA The allosteric ligand site in the vmax-type cooperative enzyme phosphoglycerate dehydrogenase (see paper)
36% identity, 78% coverage: 44:303/335 of query aligns to 40:305/404 of 1psdA

query
sites
1psdA

E

Q

L

L

A

K

D

E

A

S

A

I

R

R

E

D

A

A

D

H

V

F

I

I

I

G

A

L

Y

R

R

S

Q

R

T

T

P

H

A

L

P

T

R

E

A

D

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

V

A

A

F

I

V

G

R

C

C

F

A

C

V

I

D

G

I

T

R

N

T

Q

V

V

D

D

V

L

D

D

A

A

S

A

E

K

L

R

G

G

V

I

L

P

V

V

T

F

Q

N

A

A

S

P

A

F

G

S

F
x
N

I

T

P

R

A

S

V

V

S

A

E

E

W

L

V

V

I

I

G

G

A

E

M

L

L

L

D

L

L

L

A

L

R

R

G

G

T

V

T

P

A

E

Y

A

A

N

E

A

A

K

Y

A

H

H

R

R

H

G

E

V

A

W

P

N

A

K

P

L

K

A

M

A

G

G

R

S

-

F

E

E

L

A

R

R

G

G

S

K

T

K

F

L

G

G

V

I

I

I

G

G

Y

Y

G

G

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x
H

I
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I

S

G

R

T

Y

Q

L

L

C

G

P

I

L

L

A

A

S

E

A

S

F

L

G

G

M

M

R

Y

V

V

I

Y

V

F

S

Y

D
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D

P
x
I

Y

E

A

N

T
x
K

I

L

-

P

-

L

-

G

D

N

D

A

T

T

H

Q

V

V

Q

Q

Q

H

V

-

G

-

L

L

D

S

D

D

L

L

A

N

E

M

S

S

D

D

F

V

V

V

V

S

C

L

L
x
H

A
x
V

P
|
P

A

E

T

N

P

P

Q

S

T

T

A

K

N

N

L

M

M

M

N

G

A

A

Q

K

T

E

F

I

A

S

S

L

M

M

K

K

A

P

G

G

A

S

Y

L

F

L

I

I

N

N

A
|
A

A
x
S

R
|
R

G

G

E

T

L

V

V

V

D

D

D

I

A

P

A

A

L

L

L

C

A

D

A

A

L

L

E

A

R

S

G

K

H

H

L

L

A

A

G

G

C

A

A

A

L

I

D
|
D

V

V

-

F

-

P

-

T

-
x
E

-

P

G

A

R

T

A

N

A

S

D

D

Q

P

M

F

P

T

S

S

P

P

E

-

L

L

A

C

A

E

H

F

P

D

R

N

V

V

I

L

A

L

T

T

P

P

H
|
H

I

I

G

G

L

S

T

T

P

Q

G

E

A

A

I

Q

E

E

H

N

Q

I

S

G

M

L

E

E

T

V

V

A

A

G

Q

K

active site: N102 (≠ F106), R234 (= R236), D258 (= D260), E263 (vs. gap), H286 (= H284)
binding nicotinamide-adenine-dinucleotide: N102 (≠ F106), H155 (≠ Q158), I156 (= I159), D175 (= D178), I176 (≠ P179), K179 (≠ T182), H204 (≠ L206), V205 (≠ A207), P206 (= P208), A232 (= A234), S233 (≠ A235), R234 (= R236), H286 (= H284)

Sites not aligning to the query:

binding serine: 338, 340, 341, 344

6plfB Crystal structure of human phgdh complexed with compound 1 (see paper)
33% identity, 71% coverage: 67:303/335 of query aligns to 49:288/292 of 6plfB

query
sites
6plfB

L

V

F

I

E

N

A

A

L

A

P

E

K

K

L

L

A

Q

A

V

F

V

V

G

R

R

C

A

A

G

V

T

D

G

I

V

R

D

T

N

V

V

D

D

V

L

D

E

A

A

S

T

E

R

L

K

G

G

V

I

L

L

V

V

T

M

Q

N

A

T

S

P

A

N

G

G

F

N

I

S

P

L

A

S

V

A

S

A

E

E

W

L

V

T

I

C

G

G

A

M

M

I

L

M

D

C

L

L

A

A

R

R

G

Q

T

I

T

P

A

Q

Y

A

A

T

E

A

A

S

Y

M

H

K

R

D

H

G

E

K

A

W

P

E

A

R

P

K

K

K

-

F

M

M

G

G

R

T

E

E

L

L

R

N

G

G

S

K

T

T

F

L

G

G

V

I

I

L

G

G

Y

L

G

G

Q
x
R

I

I

S

G

R

R

Y

E

L

V

C

A

P

T

L

R

A

M

S

Q

A

S

F

F

G

G

M

M

R

K

V

T

I

I

V

G

S
x
Y

D
|
D

P
|
P

Y

I

A
x
I

T

S

I

P

D

E

D

V

T

S

-

A

-

S

-

F

H

G

V

V

Q

Q

V

L

G

P

L
|
L

D

E

L

I

L

W

A

P

E

L

S

C

D

D

F

F

V

I

V

T

C

V

L

H

A
x
T

P
|
P

A

L

T

L

P

P

Q
x
S

T

T

A

T

N

G

L
|
L

M

L

N

N

A

D

Q

N

T

T

F

F

A

A

S

Q

M

C

K

K

A

K

G

G

A

V

Y

R

F

V

I

V

N

N

A

C

A

A

R

R

G

G

E

G

L

I

V

V

D

D

D

E

A

G

A

A

L

L

A

R

A

A

L

L

E

Q

R

S

G

G

H

Q

L

C

A

A

G

G

C

A

A

A

L

L

D

D

V

V

G

-

R

-

A

F

A

T

D

E

Q

E

M

P

P

P

S

R

P

D

E

R

-

A

L

L

A

V

A

D

H

H

P

E

R

N

V

V

I

I

A

S

T

C

P

P

H

H

I

L

G

G

G

A

L

S

T

T

P

K

G

E

A

A

I

Q

E

S

H

R

Q

C

S

G

M

E

E

E

T

I

V

A

A

V

Q

Q

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 (≠ Q158), Y160 (≠ S177), D161 (= D178), P162 (= P179), I164 (≠ A181), L179 (= L193), T193 (≠ A207), P194 (= P208), S198 (≠ Q212), L202 (= L216)

Query Sequence

>H281DRAFT_01746 FitnessBrowser__Burk376:H281DRAFT_01746
MNKVFVSHPRHMLDHYFGTRAAAALAKFADVTYNSEDRELTLTELADAAREADVIIAYRQ
TPAPRALFEALPKLAAFVRCAVDIRTVDVDAASELGVLVTQASAGFIPAVSEWVIGAMLD
LARGTTAYAEAYHRHEAPAPKMGRELRGSTFGVIGYGQISRYLCPLASAFGMRVIVSDPY
ATIDDTHVQQVGLDDLLAESDFVVCLAPATPQTANLMNAQTFASMKAGAYFINAARGELV
DDAALLAALERGHLAGCALDVGRAADQMPSPELAAHPRVIATPHIGGLTPGAIEHQSMET
VAQTQALFQGRMPAGAVNAAHAYRLSGFAMPTDAR

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