SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing BWI76_RS26960 BWI76_RS26960 bifunctional glyoxylate/hydroxypyruvate reductase B 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)
46% identity, 84% coverage: 53:322/323 of query aligns to 54:325/334 of 5aovA

query
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5aovA

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active site: L100 (= L99), R241 (= R237), D265 (= D261), E270 (= E266), H288 (= H285)
binding glyoxylic acid: Y74 (≠ I73), A75 (≠ S74), V76 (= V75), G77 (= G76), R241 (= R237), H288 (= H285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (= V75), T104 (≠ V103), F158 (≠ M153), G159 (= G154), R160 (= R155), I161 (= I156), S180 (≠ A176), R181 (= R177), A211 (≠ I207), V212 (≠ L208), P213 (= P209), T218 (= T214), I239 (≠ A235), A240 (≠ G236), R241 (= R237), H288 (= H285), G290 (= G287)

Sites not aligning to the query:

binding glyoxylic acid: 52, 53, 53

6biiA Crystal structure of pyrococcus yayanosii glyoxylate hydroxypyruvate reductase in complex with NADP and malonate (re-refinement of 5aow) (see paper)
43% identity, 99% coverage: 2:322/323 of query aligns to 1:324/332 of 6biiA

query
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6biiA

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active site: L99 (= L99), R240 (= R237), D264 (= D261), E269 (= E266), H287 (= H285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V75 (= V75), T103 (≠ V103), G156 (= G152), F157 (≠ M153), G158 (= G154), R159 (= R155), I160 (= I156), A179 (= A176), R180 (= R177), S181 (≠ R178), K183 (≠ H180), V211 (≠ L208), P212 (= P209), E216 (= E213), T217 (= T214), V238 (≠ A235), A239 (≠ G236), 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)
42% identity, 100% coverage: 1:322/323 of query aligns to 1:325/333 of 2dbqA

query
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2dbqA

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active site: L100 (= L99), R241 (= R237), D265 (= D261), E270 (= E266), H288 (= H285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V76 (= V75), T104 (≠ V103), L158 (≠ M153), G159 (= G154), R160 (= R155), I161 (= I156), S180 (≠ A176), R181 (= R177), T182 (≠ R178), A211 (≠ I207), V212 (≠ L208), P213 (= P209), T218 (= T214), I239 (≠ A235), A240 (≠ G236), 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)
42% identity, 100% coverage: 1:322/323 of query aligns to 1:325/334 of O58320

query
sites
O58320

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K

K

L

M

M

K

K

S

K

S

T

A

A

I

I

F

L

I

I

N

N

A
x
I

G
x
A

R
|
R

G

G

P

K

V

V

D

D

E

T

K

N

A

A

L

L

I

V

A

K

A

A

L

L

Q

K

E

E

G

G

E

W

I

I

Y

A

A

G

A

A

G

G

L

L

D

D

V

V

F

F

E

E

Q

E

E

E

P

P

L

Y

A

Y

K

N

D

E

S

E

P

-

L

L

L

F

S

K

M

L

P

D

N

N

V

V

A

L

L

T

P

P

H
|
H

I
|
I

G
|
G

S

S

A

A

T

S

H

F

E

G

T

A

R

R

Y

E

N

G

M

M

A

A

A

E

C

L

A

V

V

A

D

K

N

N

L

L

I

I

D

A

A

F

L

K

N

R

G

G

S

E

V

I

E

P

K

P

N

T

C

L

V

V

N

N

P

R

Q

E

V

V

LGRI 158:161 (≠ MGRI 153:156) binding
SRT 180:182 (≠ ARR 176:178) binding
IAR 239:241 (≠ AGR 235:237) binding
HIG 288:290 (= HIG 285:287) binding

2gcgA Ternary crystal structure of human glyoxylate reductase/hydroxypyruvate reductase (see paper)
42% identity, 80% coverage: 53:311/323 of query aligns to 56:315/324 of 2gcgA

query
sites
2gcgA

S

S

E

D

K

H

V

V

D

D

T

K

A

R

L

I

L

L

E

D

K

A

M

A

-

G

P

A

K

N

L

L

R

K

A

V

T

I

S

S

T

T

I

M

S
|
S

V
|
V

G
|
G

Y

I

D

D

N

H

F

L

D

A

V

L

D

D

A

E

L

I

N

K

A

K

R

R

K

G

V

I

L

R

L

V

M

G

H

Y

T

T

P

P

T

D

V

V

L
|
L

T

T

E

D

T

T

V
x
T

A

A

D

E

T

L

V

A

M

V

A

S

L

L

V

L

L

L

S

T

T

T

A

C

R

R

V

L

V

P

E

E

V

A

A

I

N

E

R

E

V

V

K

K

A

N

G

G

E

G

W

W

T

T

K

-

S

S

I

W

G

K

P

P

D

L

W

W

F

L

-

C

G

G

N

Y

D

G

V

L

H

T

H

Q

K

S

T

T

L

V

G

G

I

I

V

I

G
|
G

M

L

G
|
G

R

R

I
|
I

G

G

M

Q

A

A

L

I

A

A

Q

R

R

R

A

L

H

K

A

P

G

-

F

F

G

G

M

V

P

Q

-

R

I

F

L

L

Y

Y

N

T

A
x
G

R
|
R

R

Q

Q

P

H
x
R

P

P

Q

E

A

E

E

A

R

E

F

F

N

Q

A

A

R

E

Y

F

C

V

D

S

L

T

D

P

T

E

L

L

L

A

Q

A

E

Q

A

S

D

D

F

F

V

I

C

V

L

V

I

A

L
x
C

P
x
S

L

L

T

T

E

P

E

A

T
|
T

H

E

H

G

L

L

F

C

G

N

K

K

A

D

Q

F

F

F

A

Q

K

K

M

M

K

K

S

E

S

T

A

A

I

V

F

F

I

I

N

N

A
x
I

G

S

R
|
R

G

G

P

D

V

V

D

N

E

Q

K

D

A

D

L

L

I

Y

A

Q

A

A

L

L

Q

A

E

S

G

G

E

K

I

I

Y

A

A

A

G

G

L

L

D
|
D

V

V

F

T

E

S

Q

P

E
|
E

P

P

L

L

A

P

K

T

D

N

S

H

P

P

L

L

S

T

M

L

P

K

N

N

V

C

V

V

A

I

L

L

P

P

H
|
H

I

I

G
|
G

S

S

A

A

T

T

H

H

E

R

T

T

R

R

Y

N

N

T

M

M

A

S

A

L

C

L

A

A

V

A

D

N

N

N

L

L

I

L

D

A

A

G

L

L

N

R

G

G

active site: L103 (= L99), R241 (= R237), D265 (= D261), E270 (= E266), H289 (= H285)
binding (2r)-2,3-dihydroxypropanoic acid: S78 (= S74), V79 (= V75), G80 (= G76), R241 (= R237), H289 (= H285)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V79 (= V75), T107 (≠ V103), G156 (= G152), G158 (= G154), I160 (= I156), G180 (≠ A176), R181 (= R177), R184 (≠ H180), C212 (≠ L208), S213 (≠ P209), T218 (= T214), I239 (≠ A235), R241 (= R237), D265 (= D261), H289 (= H285), G291 (= G287)

Sites not aligning to the query:

binding (2r)-2,3-dihydroxypropanoic acid: 55

Q9UBQ7 Glyoxylate reductase/hydroxypyruvate reductase; EC 1.1.1.79; EC 1.1.1.81 from Homo sapiens (Human) (see paper)
42% identity, 80% coverage: 53:311/323 of query aligns to 60:319/328 of Q9UBQ7

query
sites
Q9UBQ7

S

S

E

D

K

H

V

V

D

D

T

K

A

R

L

I

L

L

E

D

K

A

M

A

-

G

P

A

K

N

L

L

R

K

A

V

T

I

S

S

T

T

I

M

S

S

V
|
V

G
|
G

Y

I

D

D

N

H

F

L

D

A

V

L

D

D

A

E

L

I

N

K

A

K

R

R

K

G

V

I

L

R

L

V

M

G

H

Y

T

T

P

P

T

D

V

V

L

L

T

T

E

D

T

T

V

T

A

A

D

E

T

L

V

A

M

V

A

S

L

L

V

L

L

L

S

T

T

T

A

C

R

R

V

L

V

P

E

E

V

A

A

I

N

E

R

E

V

V

K

K

A

N

G

G

E

G

W

W

T

T

K

-

S

S

I

W

G

K

P

P

D

L

W

W

F

L

-

C

G

G

N

Y

D

G

V

L

H

T

H

Q

K

S

T

T

L

V

G

G

I

I

V

I

G

G

M

L

G
|
G

R
|
R

I
|
I

G

G

M

Q

A

A

L

I

A

A

Q

R

R

R

A

L

H

K

A

P

G

-

F

F

G

G

M

V

P

Q

-

R

I

F

L

L

Y

Y

N

T

A

G

R
|
R

R
x
Q

Q
x
P

H
x
R

P

P

Q

E

A

E

E

A

R

E

F

F

N

Q

A

A

R

E

Y

F

C

V

D

S

L

T

D

P

T

E

L

L

L

A

Q

A

E

Q

A

S

D

D

F

F

V

I

C

V

L

V

I

A

L

C

P
x
S

L

L

T

T

E

P

E

A

T

T

H

E

H

G

L

L

F

C

G

N

K

K

A

D

Q

F

F

F

A

Q

K

K

M

M

K

K

S

E

S

T

A

A

I

V

F

F

I

I

N

N

A
x
I

G

S

R
|
R

G

G

P

D

V

V

D

N

E

Q

K

D

A

D

L

L

I

Y

A

Q

A

A

L

L

Q

A

E

S

G

G

E

K

I

I

Y

A

A

A

G

G

L

L

D
|
D

V

V

F

T

E

S

Q

P

E

E

P

P

L

L

A

P

K

T

D

N

S

H

P

P

L

L

S

T

M

L

P

K

N

N

V

C

V

V

A

I

L

L

P

P

H
|
H

I
|
I

G
|
G

S
|
S

A

A

T

T

H

H

E

R

T

T

R

R

Y

N

N

T

M

M

A

S

A

L

C

L

A

A

V

A

D

N

N

N

L

L

I

L

D

A

A

G

L

L

N

R

G

G

VG 83:84 (= VG 75:76) binding
GRI 162:164 (= GRI 154:156) binding
RQPR 185:188 (≠ RRQH 177:180) binding
S217 (≠ P209) binding
I243 (≠ A235) binding
R245 (= R237) binding
D269 (= D261) binding
HIGS 293:296 (= HIGS 285:288) binding
G295 (= G287) binding

3bazA Structure of hydroxyphenylpyruvate reductase from coleus blumei in complex with NADP+ (see paper)
36% identity, 90% coverage: 15:305/323 of query aligns to 14:297/311 of 3bazA

query
sites
3bazA

L

L

Q

E

Q

Q

R

E

L

L

E

D

Q

K

H

R

F

F

T

K

V

L

T

F

Q

R

-

Y

-

W

V

T

K

Q

N

P

L

A

R

Q

P

R

E

D

T

F

V

L

S

A

Q

L

H

Q

A

A

A

E

A

S

F

I

A

R

E

A

A

V

V

V

G

G

L

-

G

N

S

S

S

N

E

A

K

G

V

A

D

D

T

A

A

E

L

L

L

I

E

D

K

A

M

L

P

P

K

K

L

L

R

E

A

I

T

V

S

S

T

S

I

F

S

S

V
|
V

G

G

Y

L

D

D

N

K

F

V

D

D

V

L

D

I

A

K

L

C

N

E

A

E

R

K

K

G

V

V

L

R

L

V

M

T

H

N

T

T

P

P

T

D

V

V

L
|
L

T

T

E

D

T

D

V

V

A

A

D

D

T

L

V

A

M

I

A

G

L

L

V

I

L

L

S

A

T

V

A

L

R

R

V

I

V

C

E

E

V

C

A

D

N

K

R

Y

V

V

K

R

A

R

G

G

E

A

W

W

T

-

K

-

S

K

I

F

G

G

P

D

D

F

W

K

F

L

G

T

N

T

D

K

V

F

H

S

H

G

K

K

T

R

L

V

G

G

I

I

V

I

G
|
G

M
x
L

G
|
G

R
|
R

I
|
I

G

G

M

L

A

A

L

V

A

A

Q

E

R

R

A

A

H

E

A

A

G

-

F

F

G

D

M

C

P

P

I

I

L

S

Y

Y

N

F

A
x
S

R
|
R

R
x
S

Q

K

H

K

P

P

Q

N

A

T

E

N

E

Y

R

T

F

Y

N

-

A

-

R

-

Y

Y

C

G

D

S

L

V

D

V

T

E

L

L

L

A

Q

S

E

N

A

S

D

D

F

I

V

L

C

V

L

V

I

A

L
x
C

P
|
P

L

L

T

T

E

P

E

E

T
|
T

H

T

H

H

L

I

F

I

G

N

K

R

A

E

Q

V

F

I

A

D

K

A

M

L

K

G

S

P

S

K

A

G

I

V

F

L

I

I

N

N

A
x
I

G
|
G

R
|
R

G

G

P

P

V

H

V

V

D

D

E

E

K

P

A

E

L

L

I

V

A

S

A

A

L

L

Q

V

E

E

G

G

E

R

I

L

Y

G

A

G

A
|
A

G

G

L

L

D
|
D

V

V

F

F

E

E

Q

R

E
|
E

P

P

L

E

A

V

K

P

D

E

S

K

P

-

L

L

L

F

S

G

M

L

P

E

N

N

V

V

A

L

L

L

P

P

H
|
H

I

V

G
|
G

S

S

A

G

T

T

H

V

E

E

T

T

R

R

Y

K

N

V

M

M

A

A

A

D

C

L

A

V

V

V

D

G

N

N

L

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 (≠ M153), G151 (= G154), R152 (= R155), I153 (= I156), S172 (≠ A176), R173 (= R177), S174 (≠ R178), C201 (≠ L208), P202 (= P209), T207 (= T214), I228 (≠ A235), G229 (= G236), R230 (= R237), D254 (= D261), H277 (= H285), G279 (= G287)

Q65CJ7 Hydroxyphenylpyruvate reductase; HPPR; EC 1.1.1.237 from Plectranthus scutellarioides (Coleus) (Solenostemon scutellarioides) (see paper)
36% identity, 90% coverage: 15:305/323 of query aligns to 16:299/313 of Q65CJ7

query
sites
Q65CJ7

L

L

Q

E

Q

Q

R

E

L

L

E

D

Q

K

H

R

F

F

T

K

V

L

T

F

Q

R

-

Y

-

W

V

T

K

Q

N

P

L

A

R

Q

P

R

E

D

T

F

V

L

S

A

Q

L

H

Q

A

A

A

E

A

S

F

I

A

R

E

A

A

V

V

V

G

G

L

-

G

N

S

S

S

N

E

A

K

G

V

A

D

D

T

A

A

E

L

L

L

I

E

D

K

A

M

L

P

P

K

K

L

L

R

E

A

I

T

V

S

S

T

S

I

F

S

S

V

V

G

G

Y

L

D

D

N

K

F

V

D

D

V

L

D

I

A

K

L

C

N

E

A

E

R

K

K

G

V

V

L

R

L

V

M

T

H

N

T

T

P

P

T

D

V

V

L

L

T

T

E

D

T

D

V

V

A

A

D

D

T

L

V

A

M

I

A

G

L

L

V

I

L

L

S

A

T

V

A

L

R

R

V

I

V

C

E

E

V

C

A

D

N

K

R

Y

V

V

K

R

A

R

G

G

E

A

W

W

T

-

K

-

S

K

I

F

G

G

P

D

D

F

W

K

F

L

G

T

N

T

D

K

V

F

H

S

H

G

K

K

T

R

L

V

G

G

I

I

V

I

G

G

M
x
L

G
|
G

R
|
R

I
|
I

G

G

M

L

A

A

L

V

A

A

Q

E

R

R

A

A

H

E

A

A

G

-

F

F

G

D

M

C

P

P

I

I

L

S

Y

Y

N

F

A
x
S

R
|
R

R
x
S

Q

K

H

K

P

P

Q

N

A

T

E

N

E

Y

R

T

F

Y

N

-

A

-

R

-

Y

Y

C

G

D

S

L

V

D

V

T

E

L

L

L

A

Q

S

E

N

A

S

D

D

F

I

V

L

C

V

L

V

I

A

L

C

P

P

L

L

T

T

E

P

E

E

T

T

H

T

H

H

L

I

F

I

G

N

K

R

A

E

Q

V

F

I

A

D

K

A

M

L

K

G

S

P

S

K

A

G

I

V

F

L

I

I

N

N

A
x
I

G

G

R

R

G

G

P

P

V

H

V

V

D

D

E

E

K

P

A

E

L

L

I

V

A

S

A

A

L

L

Q

V

E

E

G

G

E

R

I

L

Y

G

A

G

A

A

G

G

L

L

D
|
D

V

V

F

F

E

E

Q

R

E

E

P

P

L

E

A

V

K

P

D

E

S

K

P

-

L

L

L

F

S

G

M

L

P

E

N

N

V

V

A

L

L

L

P

P

H

H

I

V

G

G

S

S

A

G

T

T

H

V

E

E

T

T

R

R

Y

K

N

V

M

M

A

A

A

D

C

L

A

V

V

V

D

G

N

N

L

L

LGRI 152:155 (≠ MGRI 153:156) binding
SRS 174:176 (≠ ARR 176:178) binding
I230 (≠ A235) binding
D256 (= D261) binding

4e5pA Thermostable phosphite dehydrogenase a176r variant in complex with nad (see paper)
33% identity, 99% coverage: 1:319/323 of query aligns to 1:326/332 of 4e5pA

query
sites
4e5pA

M

M

K

L

P

P

S

K

V

L

I

V

L

I

Y

T

K

H

T

R

L

V

P

H

D

E

L

I

Q

L

Q

Q

R

L

L

L

E

A

Q

P

H

H

F

C

-

E

-

L

-

I

-

T

-

N

-

Q

-

T

-

D

-

S

T

T

V

L

T

T

Q

R

V

E

K

E

N

I

L

L

R

R

P

R

E

C

T

R

V

D

S

A

Q

Q

H

A

A

M

A

A

F

F

A

-

E

-

A

-

V

-

G

-

L

-

G

-

S

M

S

P

E

D

K

R

V

V

D

D

T

A

A

D

L

F

L

L

E

Q

K

A

M

C

P

P

K

E

L

L

R

R

A

V

T

I

S

G

T

C

I

A

S

L

V
x
K

G

G

Y

F

D

D

N

N

F

F

D

D

V

V

D

D

A

A

L

C

N

T

A

A

R

R

K

G

V

V

L

W

L

L

M

T

H

F

T

V

P

P

T

D

V

L

L
|
L

T

T

E

V

T

P

V
x
T

A

A

D

E

T

L

V

A

M

I

A

G

L

L

V

A

L

V

S

G

T

L

A

G

R

R

R

H

V

L

V

R

E

A

V

A

A

D

N

A

R

F

V

V

K

R

A

S

G

G

E

Q

W

F

T

-

K

R

S

G

I

W

G

Q

P

P

D

R

W

F

F

Y

G

G

N

T

D

G

V

L

H

D

H

N

K

A

T

T

L

V

G

G

I

F

V

L

G

G

M

M

G
|
G

R
x
A

I
|
I

G

G

M

L

A

A

L

M

A

A

Q

D

R

R

A

L

H

Q

A

-

G

G

F

W

G

G

M

A

P

T

I

L

L

Q

Y

Y

N

H

A
|
A

R
|
R

R

K

Q

A

-

L

H

D

P

T

Q

Q

A

T

E

E

E

Q

R

R

F

L

N

G

A

L

R

R

Y

Q

C

V

D

A

L

C

D

S

T

E

L

L

L

F

Q

A

E

S

A

S

D

D

F

F

V

I

C

L

L

L

I

A

L
|
L

P
|
P

L

L

T

N

E

A

E

D

T
|
T

H

L

H

H

L

L

F

V

G

N

K

A

A

E

Q

L

F

L

A

A

K

L

M

V

K

R

S

P

S

G

A

A

I

L

F

L

I

V

N

N

A
x
P

G
x
C

R
|
R

G

G

P

S

V

V

D

D

E

E

K

A

A

A

L

V

I

L

A

A

L

L

Q

E

E

R

G

G

E

Q

I

L

Y

G

A

G

A

Y

G

A

L

A

D
|
D

V

V

F

F

E

E

Q

M

E
|
E

P

D

L

W

A

A

K

R

-

A

-

D

-

R

-

P

-

Q

-

I

D

D

S

P

P

A

L

L

S

A

M

H

P

P

N

N

V

T

V

L

A

F

L

T

P

P

H
|
H

I

I

G

G

S

S

A

A

T

V

H

R

E

A

T

V

R

R

Y

L

N

E

M

I

A

E

A

R

C

C

A

A

V

A

D

Q

N

N

L

I

I

L

D

Q

A

A

L

L

N

A

G

G

S

E

V

R

E

P

K

I

N

N

C

A

V

V

N

N

active site: L100 (= L99), R237 (= R237), D261 (= D261), E266 (= E266), H292 (= H285)
binding nicotinamide-adenine-dinucleotide: K76 (≠ V75), L100 (= L99), T104 (≠ V103), G154 (= G154), A155 (≠ R155), I156 (= I156), A175 (= A176), R176 (= R177), L208 (= L208), P209 (= P209), T214 (= T214), P235 (≠ A235), C236 (≠ G236), R237 (= R237), H292 (= H285)

4e5mA Thermostable phosphite dehydrogenase e175a/a176r in complex with NADP (see paper)
33% identity, 99% coverage: 1:319/323 of query aligns to 1:326/329 of 4e5mA

query
sites
4e5mA

M

M

K

L

P

P

S

K

V

L

I

V

L

I

Y

T

K

H

T

R

L

V

P

H

D

E

L

I

Q

L

Q

Q

R

L

L

L

E

A

Q

P

H

H

F

C

-

E

-

L

-

I

-

T

-

N

-

Q

-

T

-

D

-

S

T

T

V

L

T

T

Q

R

V

E

K

E

N

I

L

L

R

R

P

R

E

C

T

R

V

D

S

A

Q

Q

H

A

A

M

A

A

F

F

A

-

E

-

A

-

V

-

G

-

L

-

G

-

S

M

S

P

E

D

K

R

V

V

D

D

T

A

A

D

L

F

L

L

E

Q

K

A

M

C

P

P

K

E

L

L

R

R

A

V

T

I

S

G

T

C

I

A

S

L

V
x
K

G

G

Y

F

D

D

N

N

F

F

D

D

V

V

D

D

A

A

L

C

N

T

A

A

R

R

K

G

V

V

L

W

L

L

M

T

H

F

T

V

P

P

T

D

V

L

L
|
L

T

T

E

V

T

P

V
x
T

A

A

D

E

T

L

V

A

M

I

A

G

L

L

V

A

L

V

S

G

T

L

A

G

R

R

R

H

V

L

V

R

E

A

V

A

A

D

N

A

R

F

V

V

K

R

A

S

G

G

E

Q

W

F

T

-

K

R

S

G

I

W

G

Q

P

P

D

R

W

F

F

Y

G

G

N

T

D

G

V

L

H

D

H

N

K

A

T

T

L

V

G

G

I

F

V

L

G

G

M

M

G
|
G

R
x
A

I
|
I

G

G

M

L

A

A

L

M

A

A

Q

D

R

R

A

L

H

Q

A

-

G

G

F

W

G

G

M

A

P

T

I

L

L

Q

Y

Y

N

H

A

A

R
|
R

R

K

Q

A

-

L

H

D

P

T

Q

Q

A

T

E

E

E

Q

R

R

F

L

N

G

A

L

R

R

Y

Q

C

V

D

A

L

C

D

S

T

E

L

L

L

F

Q

A

E

S

A

S

D

D

F

F

V

I

C

L

L

L

I

A

L
|
L

P
|
P

L

L

T

N

E

A

E

D

T
|
T

H

L

H

H

L

L

F

V

G

N

K

A

A

E

Q

L

F

L

A

A

K

L

M

V

K

R

S

P

S

G

A

A

I

L

F

L

I

V

N

N

A
x
P

G
x
C

R
|
R

G

G

P

S

V

V

D

D

E

E

K

A

A

A

L

V

I

L

A

A

L

L

Q

E

E

R

G

G

E

Q

I

L

Y

G

A

G

A

Y

G

A

L

A

D
|
D

V

V

F

F

E

E

Q

M

E
|
E

P

D

L

W

A

A

K

R

-

A

-

D

-

R

-

P

-

Q

-

I

D

D

S

P

P

A

L

L

S

A

M

H

P

P

N

N

V

T

V

L

A

F

L

T

P

P

H
|
H

I

I

G
|
G

S

S

A

A

T

V

H

R

E

A

T

V

R

R

Y

L

N

E

M

I

A

E

A

R

C

C

A

A

V

A

D

Q

N

N

L

I

I

L

D

Q

A

A

L

L

N

A

G

G

S

E

V

R

E

P

K

I

N

N

C

A

V

V

N

N

active site: L100 (= L99), R237 (= R237), D261 (= D261), E266 (= E266), H292 (= H285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: K76 (≠ V75), L100 (= L99), T104 (≠ V103), G154 (= G154), A155 (≠ R155), I156 (= I156), R176 (= R177), L208 (= L208), P209 (= P209), T214 (= T214), P235 (≠ A235), C236 (≠ G236), R237 (= R237), H292 (= H285), G294 (= G287)

1wwkA Crystal structure of phosphoglycerate dehydrogenase from pyrococcus horikoshii ot3
39% identity, 81% coverage: 49:311/323 of query aligns to 46:304/304 of 1wwkA

query
sites
1wwkA

L

I

L

V

G

R

S

S

S

K

E

P

K

K

V

V

D

T

T

R

A

R

L

V

L

I

E

E

K

S

M

A

P

P

K

K

L

L

R

K

A

V

T

I

S

A

T

R

I

A

S

G

V

V

G

G

Y

L

D

D

N

N

F

I

D

D

V

V

D

E

A

A

L

A

N

K

A

E

R

K

K

G

V

I

L

E

L

V

M

V

H

N

T

A

P

P

T

A

V

A

L
x
S

T

S

E

R

T

S

V
|
V

A

A

D

E

T

L

V

A

M

V

A

G

L

L

V

M

L

F

S

S

T

V

A

A

R

R

R

K

V

I

V

A

E

F

V

A

A

D

N

R

R

K

V

M

K

R

A

E

G

G

E

V

W

W

T

A

K

K

S

K

I

-

G

-

P

-

D

E

W

A

F

M

G

G

N

I

D

E

V

L

H

E

H

G

K

K

T

T

L

I

G

G

I

I

V

I

G
|
G

M
x
F

G
|
G

R
|
R

I
|
I

G

G

M

Y

A

Q

L

V

A

A

Q

K

R

I

A

A

H

N

A

A

G

-

F

L

G

G

M

M

P

N

I

I

L

L

-

L

Y
|
Y

N
x
D

A
x
P

R

Y

R

P

Q

N

H

E

P

E

Q

R

A

A

E

K

E

E

R

-

F

V

N

N

A

G

R

K

Y

F

C

V

D

D

L

L

D

E

T

T

L

L

Q

K

E

E

A

S

D

D

F

V

V

V

C

T

L

I

I

H

L
x
V

P
|
P

L

L

T

V

E

E

E

S

T
|
T

H

Y

H

H

L

L

F

I

G

N

K

E

A

E

Q

R

F

L

A

K

K

L

M

M

K

K

S

K

S

T

A

A

I

I

F

L

I

I

N

N

A
x
T

G
x
S

R
|
R

G

G

P

P

V

V

D

D

E

T

K

N

A

A

L

L

I

V

A

K

A

A

L

L

Q

K

E

E

G

G

E

W

I

I

Y

A

A

G

A

A

G

G

L

L

D
|
D

V

V

F

F

E

E

Q

E

E
|
E

P

P

L

L

A

P

K

K

D

D

S

H

P

P

L

L

L

T

S

K

M

F

P

D

N

N

V

V

A

L

L

T

P

P

H
|
H

I

I

G
|
G

S

A

A

S

T

T

H

V

E

E

T

A

R

Q

Y

E

N

R

M

A

A

G

A

V

C

E

A

V

V

A

D

E

N

K

L

V

I

V

D

K

A

I

L

L

N

K

G

G

active site: S96 (≠ L99), R230 (= R237), D254 (= D261), E259 (= E266), H278 (= H285)
binding nicotinamide-adenine-dinucleotide: V100 (= V103), G146 (= G152), F147 (≠ M153), G148 (= G154), R149 (= R155), I150 (= I156), Y168 (= Y174), D169 (≠ N175), P170 (≠ A176), V201 (≠ L208), P202 (= P209), T207 (= T214), T228 (≠ A235), S229 (≠ G236), D254 (= D261), H278 (= H285), G280 (= G287)

4e5kA Thermostable phosphite dehydrogenase in complex with NAD and sulfite (see paper)
32% identity, 99% coverage: 1:319/323 of query aligns to 1:326/329 of 4e5kA

query
sites
4e5kA

M

M

K

L

P

P

S

K

V

L

I

V

L

I

Y

T

K

H

T

R

L

V

P

H

D

E

L

I

Q

L

Q

Q

R

L

L

L

E

A

Q

P

H

H

F

C

-

E

-

L

-

I

-

T

-

N

-

Q

-

T

-

D

-

S

T

T

V

L

T

T

Q

R

V

E

K

E

N

I

L

L

R

R

P

R

E

C

T

R

V

D

S

A

Q

Q

H

A

A

M

A

A

F

F

A

-

E

-

A

-

V

-

G

-

L

-

G

-

S
x
M

S

P

E

D

K

R

V

V

D

D

T

A

A

D

L

F

L

L

E

Q

K

A

M

C

P

P

K

E

L

L

R

R

A

V

T

I

S

G

T

C

I

A

S
x
L

V
x
K

G
|
G

Y

F

D

D

N

N

F

F

D

D

V

V

D

D

A

A

L

C

N

T

A

A

R

R

K

G

V

V

L

W

L

L

M

T

H

F

T

V

P

P

T

D

V

L

L
|
L

T

T

E

V

T

P

V
x
T

A

A

D

E

T

L

V

A

M

I

A

G

L

L

V

A

L

V

S

G

T

L

A

G

R

R

R

H

V

L

V

R

E

A

V

A

A

D

N

A

R

F

V

V

K

R

A

S

G

G

E

K

W

F

T

-

K

R

S

G

I

W

G

Q

P

P

D

R

W

F

F

Y

G

G

N

T

D

G

V

L

H

D

H

N

K

A

T

T

L

V

G

G

I

F

V

L

G
|
G

M

M

G
|
G

R
x
A

I
|
I

G

G

M

L

A

A

L

M

A

A

Q

D

R

R

A

L

H

Q

A

-

G

G

F

W

G

G

M

A

P

T

I

L

L

Q

Y

Y

N
x
H

-
x
E

A
|
A

R

K

R

A

Q

L

H

D

P

T

Q

Q

A

T

E

E

E

Q

R

R

F

L

N

G

A

L

R

R

Y

Q

C

V

D

A

L

C

D

S

T

E

L

L

L

F

Q

A

E

S

A

S

D

D

F

F

V

I

C

L

L

L

I
x
A

L
|
L

P
|
P

L

L

T

N

E

A

E

D

T

T

H

L

H

H

L

L

F

V

G

N

K

A

A

E

Q

L

F

L

A

A

K

L

M

V

K

R

S

P

S

G

A

A

I

L

F

L

I

V

N

N

A
x
P

G
x
C

R
|
R

G

G

P

S

V

V

D

D

E

E

K

A

A

A

L

V

I

L

A

A

L

L

Q

E

E

R

G

G

E

Q

I

L

Y

G

A

G

A

Y

G

A

L

A

D
|
D

V

V

F

F

E

E

Q

M

E
|
E

P

D

L

W

A

A

K

R

-

A

-

D

-

R

-

P

-

Q

-

I

D

D

S

P

P

A

L

L

S

A

M

H

P

P

N

N

V

T

V

L

A

F

L

T

P

P

H
|
H

I

I

G
|
G

S

S

A

A

T

V

H

R

E

A

T

V

R

R

Y

L

N

E

M

I

A

E

A

R

C

C

A

A

V

A

D

Q

N

N

L

I

I

L

D

Q

A

A

L

L

N

A

G

G

S

E

V

R

E

P

K

I

N

N

C

A

V

V

N

N

active site: L100 (= L99), R237 (= R237), D261 (= D261), E266 (= E266), H292 (= H285)
binding nicotinamide-adenine-dinucleotide: K76 (≠ V75), G77 (= G76), L100 (= L99), T104 (≠ V103), G152 (= G152), G154 (= G154), A155 (≠ R155), I156 (= I156), H174 (≠ N175), E175 (vs. gap), A176 (= A176), A207 (≠ I207), L208 (= L208), P209 (= P209), P235 (≠ A235), C236 (≠ G236), R237 (= R237), D261 (= D261), H292 (= H285), G294 (= G287)
binding sulfite ion: M53 (≠ S52), L75 (≠ S74), K76 (≠ V75), G77 (= G76), L100 (= L99), R237 (= R237), H292 (= H285)

6ih6A Phosphite dehydrogenase mutant i151r/p176r/m207a from ralstonia sp. 4506 in complex with non-natural cofactor nicotinamide cytosine dinucleotide
34% identity, 99% coverage: 1:319/323 of query aligns to 1:327/330 of 6ih6A

query
sites
6ih6A

M

M

K

K

P

P

S

K

V

V

I

V

L

L

Y

T

K

H

T

W

L

V

P

H

D

P

D

E

L

I

Q

I

Q

E

R

L

L

L

E

S

Q

A

H

S

F

A

T

D

V

V

T

-

Q

-

V

I

K

P

N

N

L

T

R

T

P

R

E

E

T

T

V

L

-

P

-

R

S

S

Q

E

H

V

A

I

A

A

A

R

F

A

A

K

E

D

A

A

V

D

G

A

L

L

L

M

G

A

-

F

S

M

S

P

E

D

K

S

V

I

D

D

T

S

A

A

L

F

L

L

E

E

K

E

M

C

P

P

K

K

L

L

R

R

A

V

T

I

S

G

T

A

I

A

S

L

V

K

G

G

Y

Y

D

D

N

N

F

F

D

D

V

V

D

N

A

A

L

C

N

T

A

R

R

H

K

G

V

V

L

W

L

L

M

T

H

I

T

V

P

P

T

D

V

L

L

L

T

T

E

I

T

P

V
x
T

A

A

D

E

T

L

V

T

M

I

A

G

L

L

V

L

L

L

S

G

T

L

A

T

R

R

R

H

V

M

V

L

E

E

V

G

A

D

N

R

R

Q

V

I

K

R

A

S

G

G

E

H

W

F

T

-

K

Q

S

G

I

W

G

R

P

P

D

T

W

L

F

Y

G

G

N

S

D

G

V

L

H

T

H

G

K

K

T

T

L

L

G

G

I

I

V
x
R

G

G

M

M

G
|
G

R
x
A

I
x
V

G

G

M

R

A

A

L

I

A

A

Q

Q

R

R

A

L

H

-

A

A

G

G

F

F

G

E

M

M

P

N

I

L

L

L

Y

Y

N

C

A
x
D

R

R

R

I

Q

P

-

L

H

N

P

A

Q

E

A

Q

E

E

E

K

R

A

F

W

N

H

A

V

R

Q

Y

R

C

V

D

T

L

L

D

D

T

E

L

L

Q

E

E

K

A

C

D

D

F

Y

V

V

C

V

L

P

I
x
A

L
x
V

P
|
P

L

M

T

A

E

A

E

E

T
|
T

H

L

H

H

L

L

F

I

G

D

K

A

A

T

Q

A

F

L

A

A

K

K

M

M

K

K

S

T

S

G

A

S

I

Y

F

L

I

I

N

N

A
|
A

G
x
C

R
|
R

G

G

P

S

V

V

D

D

E

E

K

N

A

A

L

V

I

I

A

A

L

L

Q

A

E

S

G

G

E

K

I

L

Y

A

A

G

A

Y

G

A

L

A

D

D

V

V

F

F

E

E

Q

M

E

E

P

E

L

W

A

I

K

R

D

A

S

D

P

R

L

P

L

Q

S

A

M

I

P

P

N

K

V

A

V

L

A

L

-

D

-

N

-

T

-

A

-

Q

-

T

-

F

L

T

P

P

H

H

I

L

G

G

S

S

A

A

T

V

H

K

E

E

T

V

R

R

Y

L

N

E

M

I

A

E

A

R

C

Q

A

A

V

A

D

M

N

N

L

I

I

I

D

Q

A

A

L

L

N

A

G

G

S

E

V

K

E

P

K

M

N

G

C

A

V

I

N

N

binding [[(2S,3S,4R,5S)-5-(3-aminocarbonylpyridin-1-ium-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl] [(2S,3S,4R,5S)-5-(4-azanyl-2-oxidanylidene-pyrimidin-1-yl)-3,4-bis(oxidanyl)oxolan-2-yl]methyl hydrogen phosphate: T104 (≠ V103), R151 (≠ V151), G154 (= G154), A155 (≠ R155), V156 (≠ I156), D175 (≠ A176), A207 (≠ I207), V208 (≠ L208), P209 (= P209), T214 (= T214), A235 (= A235), C236 (≠ G236), R237 (= R237)

3ddnB Crystal structure of hydroxypyruvic acid phosphate bound d-3- phosphoglycerate dehydrogenase in mycobacterium tuberculosis (see paper)
38% identity, 86% coverage: 41:319/323 of query aligns to 38:312/525 of 3ddnB

query
sites
3ddnB

A

A

F

V

A

P

E

E

A

A

V

D

G

A

L

L

-

V

G

R

S

S

S

A

E

T

K

T

V

V

D

D

T

A

A

E

L

V

L

L

E

A

K

A

M

A

P

P

K

K

L

L

R

K

A

I

T

V

S

A

T
x
R

I

A

S

G

V
|
V

G

G

Y

L

D

D

N

N

F

V

D

D

V

V

D

D

A

A

L

A

N

T

A

A

R

R

K

G

V

V

L

L

L

V

M

V

H

N

T

A

P

P

T

T

V

S

L
x
N

T

I

E

H

T

S

V

A

A

A

D

E

T

H

V

A

M

L

A

A

L

L

V

L

L

L

S

A

T

A

A

S

R

R

R

Q

V

I

V

P

E

A

V

A

A

D

N

A

R

S

V

L

K

R

A

E

G

H

E

T

W

W

T

K

K

R

S

S

I

-

G

-

P

-

D

S

W

F

F

S

G

G

N

T

D

E

V

I

H

F

H

G

K

K

T

T

L

V

G

G

I

V

V

V

G

G

M

L

G

G

R

R

I

I

G

G

M

Q

A

L

L

V

A

A

Q

Q

R

R

A

I

H

-

A

A

G

A

F

F

G

G

M

A

P

Y

I

V

L

V

Y

A

N

Y

A

D

R

P

R

Y

Q

V

H

S

P

P

Q

A

A

R

E

A

R

Q

F

L

N

G

A

I

R

E

Y

L

C

L

D

S

L

L

D

D

T

D

L

L

Q

A

E

R

A

A

D

D

F

F

V

I

C

S

L

V

I

H

L

L

P

P

L

K

T

T

E

P

E

E

T

T

H

A

H

G

L

L

F

I

G

D

K

K

A

E

Q

A

F

L

A

A

K

K

M

T

K

K

S

P

S

G

A

V

I

I

F

I

I

V

N

N

A

A

G

A

R
|
R

G

G

P

G

V

L

V

V

D

D

E

E

K

A

A

A

L

L

I

A

A

D

A

A

L

I

Q

T

E

G

G

G

E

H

I

V

Y

R

A

A

G

G

L

L

D
|
D

V

V

F

F

E

A

Q

T

E
|
E

P

P

L

-

A

C

K

T

D

D

S

S

P

P

L

L

L

F

S

E

M

L

P

A

N

Q

V

V

A

V

L

T

P

P

H
|
H

I

L

G

G

S
x
A

A

S

T

T

H

A

E

E

T

A

R
x
Q

Y

D

N

R

M

A

A

G

A

T

C

D

A

V

V

A

D

E

N

S

L

V

I

R

D

L

A

A

L

L

N

A

G

G

S

E

V

F

E

V

K

P

N

D

C

A

V

V

N

N

active site: N97 (≠ L99), R231 (= R237), D255 (= D261), E260 (= E266), H278 (= H285)
binding 2-oxo-3-(phosphonooxy)propanoic acid: R70 (≠ T72), V73 (= V75), N97 (≠ L99), A281 (≠ S288), Q287 (≠ R294)

3dc2A Crystal structure of serine bound d-3-phosphoglycerate dehydrogenase from mycobacterium tuberculosis (see paper)
38% identity, 86% coverage: 41:319/323 of query aligns to 37:311/526 of 3dc2A

query
sites
3dc2A

A

A

F

V

A

P

E

E

A

A

V

D

G

A

L

L

-

V

G

R

S

S

S

A

E

T

K

T

V

V

D

D

T

A

A

E

L

V

L

L

E

A

K

A

M

A

P

P

K

K

L

L

R

K

A

I

T

V

S

A

T

R

I

A

S

G

V

V

G

G

Y

L

D

D

N

N

F

V

D

D

V

V

D

D

A

A

L

A

N

T

A

A

R

R

K

G

V

V

L

L

L

V

M

V

H

N

T

A

P

P

T

T

V

S

L
x
N

T

I

E

H

T

S

V

A

A

A

D

E

T

H

V

A

M

L

A

A

L

L

V

L

L

L

S

A

T

A

A

S

R

R

R

Q

V

I

V

P

E

A

V

A

A

D

N

A

R

S

V

L

K

R

A

E

G

H

E

T

W

W

T

K

K

R

S

S

I

-

G

-

P

-

D

S

W

F

F

S

G

G

N

T

D

E

V

I

H

F

H

G

K

K

T

T

L

V

G

G

I

V

V

V

G

G

M

L

G

G

R

R

I

I

G

G

M

Q

A

L

L

V

A

A

Q

Q

R

R

A

I

H

-

A

A

G

A

F

F

G

G

M

A

P

Y

I

V

L

V

Y

A

N

Y

A

D

R

P

R

Y

Q

V

H

S

P

P

Q

A

A

R

E

A

R

Q

F

L

N

G

A

I

R

E

Y

L

C

L

D

S

L

L

D

D

T

D

L

L

Q

A

E

R

A

A

D

D

F

F

V

I

C

S

L

V

I

H

L

L

P

P

L

K

T

T

E

P

E

E

T

T

H

A

H

G

L

L

F

I

G

D

K

K

A

E

Q

A

F

L

A

A

K

K

M

T

K

K

S

P

S

G

A

V

I

I

F

I

I

V

N

N

A

A

G

A

R
|
R

G

G

P

G

V

L

V

V

D

D

E

E

K

A

A

A

L

L

I

A

A

D

A

A

L

I

Q

T

E

G

G

G

E

H

I

V

Y

R

A

A

G

G

L

L

D
|
D

V

V

F

F

E

A

Q

T

E
|
E

P

P

L

-

A

C

K

T

D

D

S

S

P

P

L

L

L

F

S

E

M

L

P

A

N

Q

V

V

A

V

L

T

P

P

H
|
H

I

L

G

G

S

A

A

S

T

T

H

A

E

E

T

A

R

Q

Y

D

N

R

M

A

A

G

A

T

C

D

A

V

V

A

D

E

N

S

L

V

I

R

D

L

A

A

L

L

N

A

G

G

S

E

V

F

E

V

K

P

N

D

C

A

V

V

N

N

active site: N96 (≠ L99), R230 (= R237), D254 (= D261), E259 (= E266), H277 (= H285)

Sites not aligning to the query:

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

5v6qB Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADP and malonate (see paper)
34% identity, 94% coverage: 2:305/323 of query aligns to 3:297/319 of 5v6qB

query
sites
5v6qB

K

R

P

P

S

R

V

I

I

L

L

V

Y

P

K

G

T

K

L

I

P

N

D

P

D

R

L

V

Q

L

Q

E

R

R

L

L

E

P

Q

E

H

M

F

F

T

E

V

T

T

V

Q

R

V

I

K

E

N

R

L

A

R

D

P

A

E

A

T

L

V

V

S

T

Q

-

H

-

A

-

A

A

F

D

A

M

E

R

A

D

V

V

G

S

L

G

L

I

G

A

S

V

S

S

E

G

K

K

V

L

D

P

T

V

A

P

L

L

L

M

E

D

K

A

M

F

P

P

K

S

L

L

R

E

A

I

T

V

S

A

T

N

I

F

S

G

V
|
V

G

G

Y

Y

D

D

N

G

F

V

D

D

V

V

D

S

A

R

L

A

N

A

A

A

R

R

K

G

V

I

L

V

M

T

H

N

T

T

P

P

T

D

V

V

L
|
L

T

T

E

E

T

E

V
|
V

A

A

D

D

T

T

V

A

M

I

A

G

L

L

V

L

L

L

S

N

T

T

A

L

R

R

R

L

V

L

V

P

E

Q

V

A

A

E

N

Q

R

W

V

L

K

R

A

Q

G

G

E

R

W

W

T

V

K

R

S

E

I

G

G

A

P

F

D

P

W

L

F

S

G

P

N

L

D

S

V

L

H

R

H

G

K

R

T

T

L

V

G

G

I

L

V
x
F

G

G

M
x
L

G
|
G

R
|
R

I
|
I

G

G

M

L

A

A

L

I

A

A

Q

R

R

R

A

L

H

E

A

A

G

-

F

F

G

G

M

V

P

S

I

I

L

A

Y

Y

N

H

A
x
T

R
|
R

R

-

Q

-

H

T

P

P

Q

R

A

E

E

G

E

L

R

G

F

F

N

T

A

-

R

Y

Y

H

C

P

D

T

L

L

D

V

T

G

L

M

L

A

Q

E

E

A

A

V

D

D

F

T

V

L

C

I

L

V

I

I

L
x
V

P
|
P

L

G

T

T

E

A

E
x
S

T
|
T

H

L

H

K

L

A

F

V

G

N

K

A

A

D

Q

V

F

L

A

S

K

A

M

L

K

G

S

P

S

K

A

G

I

V

F

L

I

I

N

N

A
x
V

G
|
G

R
|
R

G

G

P

S

V

T

V

V

D

D

E

E

K

A

A

A

L

L

I

V

A

T

A

A

L

L

Q

Q

E

N

G

G

E

T

I

I

Y

A

A

G

A

A

G

G

L

L

D
|
D

V

V

F

F

E

E

Q

N

E
|
E

P

P

L

N

A

V

K

P

D

E

S

A

P

-

L

L

S

S

M

F

P

P

N

N

V

V

V

S

A

L

L

L

P

P

H
|
H

I

V

G
x
A

S

S

A

A

T

S

H

V

E

V

T

T

R

R

Y

N

N

A

M

M

A

S

A

D

C

L

A

V

V

V

D

D

N

N

L

L

active site: L96 (= L99), R230 (= R237), D254 (= D261), E259 (= E266), H277 (= H285)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V72 (= V75), V100 (= V103), F148 (≠ V151), L150 (≠ M153), G151 (= G154), R152 (= R155), I153 (= I156), T172 (≠ A176), R173 (= R177), V201 (≠ L208), P202 (= P209), S206 (≠ E213), T207 (= T214), V228 (≠ A235), G229 (= G236), R230 (= R237), H277 (= H285), A279 (≠ G287)

5v7nA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADP and 2-keto-d-gluconic acid (see paper)
34% identity, 94% coverage: 2:305/323 of query aligns to 2:296/319 of 5v7nA

query
sites
5v7nA

K

R

P

P

S

R

V

I

I

L

L

V

Y

P

K

G

T

K

L

I

P

N

D

P

D

R

L

V

Q

L

Q

E

R

R

L

L

E

P

Q

E

H

M

F

F

T

E

V

T

T

V

Q

R

V

I

K

E

N

R

L

A

R

D

P

A

E

A

T

L

V

V

S

T

Q

-

H

-

A

-

A

A

F

D

A

M

E

R

A

D

V

V

G

S

L

G

L

I

G

A

S

V

S

S

E

G

K

K

V

L

D

P

T

V

A

P

L

L

L

M

E

D

K

A

M

F

P

P

K

S

L

L

R

E

A

I

T

V

S

A

T

N

I

F

S
x
G

V
|
V

G
|
G

Y

Y

D

D

N

G

F

V

D

D

V

V

D

S

A

R

L

A

N

A

A

A

R

R

K

G

V

I

L

V

M

T

H

N

T

T

P

P

T

D

V

V

L
|
L

T

T

E

E

T

E

V
|
V

A

A

D

D

T

T

V

A

M

I

A

G

L

L

V

L

L

L

S

N

T

T

A

L

R

R

R

L

V

L

V

P

E

Q

V

A

A

E

N

Q

R

W

V

L

K

R

A

Q

G

G

E

R

W

W

T

V

K

R

S

E

I

G

G

A

P

F

D

P

W

L

F

S

G

P

N

L

D

S

V

L

H

R

H

G

K

R

T

T

L

V

G

G

I

L

V

F

G

G

M
x
L

G
|
G

R
|
R

I
|
I

G

G

M

L

A

A

L

I

A

A

Q

R

R

R

A

L

H

E

A

A

G

-

F

F

G

G

M

V

P

S

I

I

L

A

Y

Y

N

H

A
x
T

R
|
R

R

-

Q

-

H

T

P

P

Q

R

A

E

E

G

E

L

R

G

F

F

N

T

A

-

R

Y

Y

H

C

P

D

T

L

L

D

V

T

G

L

M

L

A

Q

E

E

A

A

V

D

D

F

T

V

L

C

I

L

V

I

I

L
x
V

P
|
P

L

G

T

T

E

A

E
x
S

T
|
T

H

L

H

K

L

A

F

V

G

N

K

A

A

D

Q

V

F

L

A

S

K

A

M

L

K

G

S

P

S

K

A

G

I

V

F

L

I

I

N

N

A
x
V

G
|
G

R
|
R

G

G

P

S

V

T

V

V

D

D

E

E

K

A

A

A

L

L

I

V

A

T

A

A

L

L

Q

Q

E

N

G

G

E

T

I

I

Y

A

A

G

A

A

G

G

L

L

D
|
D

V

V

F

F

E

E

Q

N

E
|
E

P

P

L

N

A

V

K

P

D

E

S

A

P

-

L

L

S

S

M

F

P

P

N

N

V

V

V

S

A

L

L

L

P

P

H
|
H

I

V

G
x
A

S
|
S

A

A

T

S

H

V

E

V

T

T

R
|
R

Y

N

N

A

M

M

A

S

A

D

C

L

A

V

V

V

D

D

N

N

L

L

active site: L95 (= L99), R229 (= R237), D253 (= D261), E258 (= E266), H276 (= H285)
binding 2-keto-D-gluconic acid: G70 (≠ S74), V71 (= V75), G72 (= G76), R229 (= R237), H276 (= H285), S279 (= S288), R285 (= R294)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V71 (= V75), V99 (= V103), L149 (≠ M153), G150 (= G154), R151 (= R155), I152 (= I156), T171 (≠ A176), R172 (= R177), V200 (≠ L208), P201 (= P209), S205 (≠ E213), T206 (= T214), V227 (≠ A235), G228 (= G236), R229 (= R237), H276 (= H285), A278 (≠ G287)

5j23A Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with 2'-phospho-adp-ribose (see paper)
34% identity, 94% coverage: 2:305/323 of query aligns to 1:295/318 of 5j23A

query
sites
5j23A

K

R

P

P

S

R

V

I

I

L

L

V

Y

P

K

G

T

K

L

I

P

N

D

P

D

R

L

V

Q

L

Q

E

R

R

L

L

E

P

Q

E

H

M

F

F

T

E

V

T

T

V

Q

R

V

I

K

E

N

R

L

A

R

D

P

A

E

A

T

L

V

V

S

T

Q

-

H

-

A

-

A

A

F

D

A

M

E

R

A

D

V

V

G

S

L

G

L

I

G

A

S

V

S

S

E

G

K

K

V

L

D

P

T

V

A

P

L

L

L

M

E

D

K

A

M

F

P

P

K

S

L

L

R

E

A

I

T

V

S

A

T

N

I

F

S

G

V
|
V

G

G

Y

Y

D

D

N

G

F

V

D

D

V

V

D

S

A

R

L

A

N

A

A

A

R

R

K

G

V

I

L

V

M

T

H

N

T

T

P

P

T

D

V

V

L
|
L

T

T

E

E

T

E

V

V

A

A

D

D

T

T

V

A

M

I

A

G

L

L

V

L

L

L

S

N

T

T

A

L

R

R

R

L

V

L

V

P

E

Q

V

A

A

E

N

Q

R

W

V

L

K

R

A

Q

G

G

E

R

W

W

T

V

K

R

S

E

I

G

G

A

P

F

D

P

W

L

F

S

G

P

N

L

D

S

V

L

H

R

H

G

K

R

T

T

L

V

G

G

I

L

V

F

G

G

M
x
L

G
|
G

R
|
R

I
|
I

G

G

M

L

A

A

L

I

A

A

Q

R

R

R

A

L

H

E

A

A

G

-

F

F

G

G

M

V

P

S

I

I

L

A

Y

Y

N

H

A
x
T

R
|
R

R

-

Q

-

H

T

P

P

Q

R

A

E

E

G

E

L

R

G

F

F

N

T

A

-

R

Y

Y

H

C

P

D

T

L

L

D

V

T

G

L

M

L

A

Q

E

E

A

A

V

D

D

F

T

V

L

C

I

L

V

I

I

L

V

P
|
P

L

G

T

T

E

A

E
x
S

T
|
T

H

L

H

K

L

A

F

V

G

N

K

A

A

D

Q

V

F

L

A

S

K

A

M

L

K

G

S

P

S

K

A

G

I

V

F

L

I

I

N

N

A

V

G

G

R
|
R

G

G

P

S

V

T

V

V

D

D

E

E

K

A

A

A

L

L

I

V

A

T

A

A

L

L

Q

Q

E

N

G

G

E

T

I

I

Y

A

A

G

A

A

G

G

L

L

D
|
D

V

V

F

F

E

E

Q

N

E
|
E

P

P

L

N

A

V

K

P

D

E

S

A

P

-

L

L

S

S

M

F

P

P

N

N

V

V

V

S

A

L

L

L

P

P

H
|
H

I

V

G

A

S

S

A

A

T

S

H

V

E

V

T

T

R

R

Y

N

N

A

M

M

A

S

A

D

C

L

A

V

V

V

D

D

N

N

L

L

active site: L94 (= L99), R228 (= R237), D252 (= D261), E257 (= E266), H275 (= H285)
binding [(2r,3r,4r,5r)-5-(6-amino-9h-purin-9-yl)-3-hydroxy-4-(phosphonooxy)tetrahydrofuran-2-yl]methyl [(2r,3s,4r,5r)-3,4,5-trihydroxytetrahydrofuran-2-yl]methyl dihydrogen diphosphate: V70 (= V75), L148 (≠ M153), G149 (= G154), R150 (= R155), I151 (= I156), T170 (≠ A176), R171 (= R177), P200 (= P209), S204 (≠ E213), T205 (= T214), R228 (= R237)

5v7gA Crystal structure of NADPH-dependent glyoxylate/hydroxypyruvate reductase smc04462 (smghrb) from sinorhizobium meliloti in complex with NADPH and oxalate (see paper)
34% identity, 94% coverage: 2:305/323 of query aligns to 1:295/317 of 5v7gA

query
sites
5v7gA

K

R

P

P

S

R

V

I

I

L

L

V

Y

P

K

G

T

K

L

I

P

N

D

P

D

R

L

V

Q

L

Q

E

R

R

L

L

E

P

Q

E

H

M

F

F

T

E

V

T

T

V

Q

R

V

I

K

E

N

R

L

A

R

D

P

A

E

A

T

L

V

V

S

T

Q

-

H

-

A

-

A

A

F

D

A

M

E

R

A

D

V

V

G

S

L

G

L

I

G

A

S

V

S

S

E

G

K

K

V

L

D

P

T

V

A

P

L

L

L

M

E

D

K

A

M

F

P

P

K

S

L

L

R

E

A

I

T

V

S

A

T

N

I

F

S
x
G

V
|
V

G
|
G

Y

Y

D

D

N

G

F

V

D

D

V

V

D

S

A

R

L

A

N

A

A

A

R

R

K

G

V

I

L

V

M

T

H

N

T

T

P

P

T

D

V

V

L
|
L

T

T

E

E

T

E

V
|
V

A

A

D

D

T

T

V

A

M

I

A

G

L

L

V

L

L

L

S

N

T

T

A

L

R

R

R

L

V

L

V

P

E

Q

V

A

A

E

N

Q

R

W

V

L

K

R

A

Q

G

G

E

R

W

W

T

V

K

R

S

E

I

G

G

A

P

F

D

P

W

L

F

S

G

P

N

L

D

S

V

L

H

R

H

G

K

R

T

T

L

V

G

G

I

L

V
x
F

G

G

M
x
L

G
|
G

R
|
R

I
|
I

G

G

M

L

A

A

L

I

A

A

Q

R

R

R

A

L

H

E

A

A

G

-

F

F

G

G

M

V

P

S

I

I

L

A

Y

Y

N

H

A
x
T

R
|
R

R

-

Q

-

H

T

P

P

Q

R

A

E

E

G

E

L

R

G

F

F

N

T

A

-

R

Y

Y

H

C

P

D

T

L

L

D

V

T

G

L

M

L

A

Q

E

E

A

A

V

D

D

F

T

V

L

C

I

L

V

I

I

L
x
V

P
|
P

L

G

T

T

E

A

E
x
S

T
|
T

H

L

H

K

L

A

F

V

G

N

K

A

A

D

Q

V

F

L

A

S

K

A

M

L

K

G

S

P

S

K

A

G

I

V

F

L

I

I

N

N

A
x
V

G
|
G

R
|
R

G

G

P

S

V

T

V

V

D

D

E

E

K

A

A

A

L

L

I

V

A

T

A

A

L

L

Q

Q

E

N

G

G

E

T

I

I

Y

A

A

G

A

A

G

G

L

L

D
|
D

V

V

F

F

E

E

Q

N

E
|
E

P

P

L

N

A

V

K

P

D

E

S

A

P

-

L

L

S

S

M

F

P

P

N

N

V

V

V

S

A

L

L

L

P

P

H
|
H

I

V

G
x
A

S

S

A

A

T

S

H

V

E

V

T

T

R

R

Y

N

N

A

M

M

A

S

A

D

C

L

A

V

V

V

D

D

N

N

L

L

active site: L94 (= L99), R228 (= R237), D252 (= D261), E257 (= E266), H275 (= H285)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V70 (= V75), V98 (= V103), F146 (≠ V151), L148 (≠ M153), G149 (= G154), R150 (= R155), I151 (= I156), T170 (≠ A176), R171 (= R177), V199 (≠ L208), P200 (= P209), S204 (≠ E213), T205 (= T214), V226 (≠ A235), G227 (= G236), R228 (= R237), H275 (= H285), A277 (≠ G287)
binding oxalate ion: G69 (≠ S74), V70 (= V75), G71 (= G76), R228 (= R237), H275 (= H285)

3kb6B Crystal structure of d-lactate dehydrogenase from aquifex aeolicus complexed with NAD and lactic acid (see paper)
33% identity, 74% coverage: 54:293/323 of query aligns to 52:302/334 of 3kb6B

query
sites
3kb6B

E

D

K

K

V

L

D

T

T

E

A

E

L

L

E

S

K

K

M

M

P

P

K

R

L

L

R

K

A

L

T

I

S

H

T

T

I

R

S
|
S

V
|
V

G
|
G

Y

F

D

D

N

H

F

I

D

D

V

L

D

D

A

Y

L

C

N

K

A

K

R

K

K

G

V

I

L

L

L

V

M

T

H

H

T

I

P

P

T

A

V
x
Y

L
x
S

T

P

E

E

T

S

V
|
V

A

A

D

E

T

H

V

T

M

F

A

A

L

M

V

I

L

L

S

T

T

L

A

V

R

K

R

R

V

L

V

K

E

R

V

I

A

E

N

D

R

R

V

V

K

K

A

K

G

L

E

N

W

F

T

S

K

Q

S

D

I

-

G

-

P

S

D

E

W

I

F

L

G

A

N

R

D

E

V

L

H

N

H

R

K

L

T

T

L

L

G

G

I

V

V

I

G

G

M

T

G
|
G

R
|
R

I
|
I

G

G

M

S

A

R

L

V

A

A

Q

M

R

Y

A

G

H

L

A

A

G

-

F

F

G

G

M

M

P

K

I

V

L

L

-

C

Y

Y

N
x
D

A
x
V

R

V

R

K

Q

R

H

E

P

D

Q

L

A

K

E

E

E

K

R

-

F

-

N

G

A

C

R

V

Y

Y

C

T

D

S

L

L

D

D

T

E

L

L

Q

K

E

E

A

S

D

D

F

V

V

I

C

S

L

L

I

H

L

V

P
|
P

L

Y

T

T

E

K

E

E

T

T

H

H

L

M

F

I

G

N

K

E

A

E

Q

R

F

I

A

S

K

L

M

M

K

K

S

D

S

G

A

V

I

Y

F

L

I

I

N

N

A
x
T

G
x
A

R
|
R

G

G

P

K

V

V

D

D

E

T

K

D

A

A

L

L

I

Y

A

R

A

A

L

Y

Q

Q

E

R

G

G

E

K

I

F

Y

S

A

G

A

L

G

G

L

L

D
|
D

V

V

F

F

E

E

Q

D

E
|
E

P

E

L

I

A

L

-

I

-

L

-

K

-

Y

-

T

-

E

-

G

-

K

-

A

-

T

-

D

K

K

D

N

S

L

P

K

L

I

L

L

S

E

M

L

P

A

-

C

-

K

-

D

N

N

V

V

V

I

A

I

L

T

P

P

H
|
H

I

I

G
x
A

S
x
Y

A

Y

T

T

H

D

E

K

T

S

active site: S97 (≠ L99), R231 (= R237), D255 (= D261), E260 (= E266), H294 (= H285)
binding lactic acid: S72 (= S74), V73 (= V75), G74 (= G76), Y96 (≠ V98), R231 (= R237), H294 (= H285)
binding nicotinamide-adenine-dinucleotide: V73 (= V75), Y96 (≠ V98), V101 (= V103), G150 (= G154), R151 (= R155), I152 (= I156), D171 (≠ N175), V172 (≠ A176), P203 (= P209), T229 (≠ A235), A230 (≠ G236), R231 (= R237), H294 (= H285), A296 (≠ G287), Y297 (≠ S288)

Sites not aligning to the query:

binding lactic acid: 49

Query Sequence

>BWI76_RS26960 BWI76_RS26960 bifunctional glyoxylate/hydroxypyruvate reductase B
MKPSVILYKTLPDDLQQRLEQHFTVTQVKNLRPETVSQHAAAFAEAVGLLGSSEKVDTAL
LEKMPKLRATSTISVGYDNFDVDALNARKVLLMHTPTVLTETVADTVMALVLSTARRVVE
VANRVKAGEWTKSIGPDWFGNDVHHKTLGIVGMGRIGMALAQRAHAGFGMPILYNARRQH
PQAEERFNARYCDLDTLLQEADFVCLILPLTEETHHLFGKAQFAKMKSSAIFINAGRGPV
VDEKALIAALQEGEIYAAGLDVFEQEPLAKDSPLLSMPNVVALPHIGSATHETRYNMAAC
AVDNLIDALNGSVEKNCVNPQVK

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