SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_076476549.1 NCBI__GCF_900156495.1:WP_076476549.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

Q9RW55 Proline dehydrogenase; PRODH; DrPRODH; Proline oxidase; EC 1.5.5.2 from Deinococcus radiodurans (strain ATCC 13939 / DSM 20539 / JCM 16871 / CCUG 27074 / LMG 4051 / NBRC 15346 / NCIMB 9279 / VKM B-1422 / R1) (see paper)
34% identity, 98% coverage: 4:313/315 of query aligns to 2:308/310 of Q9RW55

query
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Q9RW55

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G63 (= G67) mutation to A: 140-fold decrease in catalytic efficiency for proline.
E64 (= E68) mutation to A: 27-fold decrease in catalytic efficiency for proline.
K98 (= K105) binding substrate
M136 (≠ A143) binding FAD
Q166 (= Q171) binding FAD
RMVKGA 187:192 (≠ RLCKGA 192:197) binding FAD
TH 229:230 (≠ SH 234:235) binding FAD
RR 291:292 (= RR 296:297) binding substrate
RIAE 292:295 (≠ RLAE 297:300) binding FAD

4h6rA Structure of reduced deinococcus radiodurans proline dehydrogenase (see paper)
37% identity, 86% coverage: 33:302/315 of query aligns to 4:272/272 of 4h6rA

query
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4h6rA

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binding dihydroflavine-adenine dinucleotide: D110 (= D142), M111 (≠ A143), V139 (= V169), Q141 (= Q171), R162 (= R192), V164 (≠ C194), K165 (= K195), G166 (= G196), A167 (= A197), A203 (= A233), T204 (≠ S234), H205 (= H235), Q230 (= Q260), L232 (= L262), I235 (= I265), Y253 (= Y283), R267 (= R297), E270 (= E300), P272 (= P302)

4h6qA Structure of oxidized deinococcus radiodurans proline dehydrogenase complexed with l-tetrahydrofuroic acid (see paper)
37% identity, 86% coverage: 33:302/315 of query aligns to 13:281/281 of 4h6qA

query
sites
4h6qA

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binding flavin-adenine dinucleotide: D119 (= D142), M120 (≠ A143), Q150 (= Q171), R171 (= R192), V173 (≠ C194), K174 (= K195), G175 (= G196), A176 (= A197), A212 (= A233), T213 (≠ S234), H214 (= H235), M240 (= M261), L241 (= L262), I244 (= I265), R276 (= R297), E279 (= E300), P281 (= P302)
binding tetrahydrofuran-2-carboxylic acid: K82 (= K105), Y262 (= Y283), R275 (= R296), R276 (= R297)

Q72IB8 Proline dehydrogenase; PRODH; Proline oxidase; TtPRODH; EC 1.5.5.2 from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see 2 papers)
37% identity, 87% coverage: 32:304/315 of query aligns to 29:296/307 of Q72IB8

query
sites
Q72IB8

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M134 (≠ A143) binding FAD
Q163 (= Q171) binding FAD
KGA 187:189 (= KGA 195:197) binding FAD
K201 (≠ R209) binding FAD
TH 226:227 (≠ SH 234:235) binding FAD

2g37B Structure of thermus thermophilus l-proline dehydrogenase (see paper)
37% identity, 86% coverage: 32:302/315 of query aligns to 35:300/300 of 2g37B

query
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2g37B

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L

V

M

H

V

A

S

I

I

L

D

D

H

L

L

L

G

G

E

E

D

M

T

V

T

R

D

T

E

E

R

E

Q

E

A

A

T

R

A

A

T

F

T

Q

E

R

A

G

Y

L

H

L

H

E

L

L

I

V

G

W

A

A

L

L

G

A

T

-

L

-

G

-

A

G

A

K

P

P

N

W

S

P

L

K

E

Y

V

I

S

S

L

L

K

K

L

L

S

T

A

Q

L

L

G

G

Q

L

A

D

L

L

P

-

R

-

H

-

G

S

T

E

K

D

I

L

A

A

T

L

E

A

N

L

A

L

M

R

A

E

I

V

C

L

D

R

D

E

A

A

Q

E

R

P

H

R

G

G

V

V

L

F

V

V

T

R

V

L

D
|
D

A
x
M

E

E

D

D

H

S

A

P

S

R

T

V

A

E

E

A

R

T

L

L

D

R

I

L

V

Y

R

R

T

A

V

L

R

R

T

E

D

E

-

G

F

F

P

S

T

Q

L

V

G

G

T

I

V
|
V

L

L

Q

Q

A

S

Y

Y

L

L

R

Y

R

R

T

T

E

E

D

K

D

D

C

L

T

L

E

D

F

L

S

L

G

P

P

Y

G

R

S

P

R

N

I

L

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y

Y

A

R

E

E

S

P

P

K

A

E

V

V

A

A

F

F

T

P

D

D

R

K

A

R

A

L

V

I

D

D

E

A

A

E

Y

Y

Q

L

R

H

C

L

L

G

R

K

I

L

L

A

M

L

C

K

G

E

S

G

G

L

Y

Y

P

V

M

A

I

F

A
|
A

S
x
T

H
|
H

D
|
D

P

P

V

R

M

I

I

I

E

A

S

E

A

L

R

K

V

R

L

Y

A

-

T

T

E

E

T

A

R

M

R

G

L

I

P

P

D

R

S

S

-

R

W

F

E

E

H

F

Q

Q

M

F

L
|
L

Y

Y

G

G

I
x
V

R

R

T

P

D

E

E

E

Q

Q

R

R

L

L

A

A

E

R

A

E

G

G

G

Y

A

T

V

V

R

R

V

A

Y
|
Y

L

V

P

P

F

Y

G

G

A

R

E

D

W

W

Y

Y

G

P

Y

Y

F

L

V

T

R

R

L

I

A

A

E

E

R

R

P

P

binding flavin-adenine dinucleotide: D139 (= D142), M140 (≠ A143), V167 (= V169), R190 (= R192), V192 (≠ C194), K193 (= K195), G194 (= G196), A195 (= A197), A231 (= A233), T232 (≠ S234), H233 (= H235), D234 (= D236), L260 (= L262), V263 (≠ I265), Y281 (= Y283)

5m42A Structure of thermus thermophilus l-proline dehydrogenase lacking alpha helices a, b and c (see paper)
35% identity, 78% coverage: 42:287/315 of query aligns to 2:242/242 of 5m42A

query
sites
5m42A

E

E

T

T

E

L

A

E

D

E

V

A

L

L

A

K

A

A

T

A

E

E

K

A

L

L

L

E

G

R

Q

E

G

G

L

V

M

H

V

A

S

I

I

L

D

D

H

L

L

L

G

G

E

E

D

M

T

V

T

R

D

T

E

E

R

E

Q

E

A

A

T

R

A

A

T

F

T

Q

E

R

A

G

Y

L

H

L

H

E

L

L

I

V

G

W

A

A

L

L

G

A

T

-

L

-

G

-

A

G

A

K

P

P

N

W

S

P

L

K

E

Y

V

I

S

S

L

L

K

K

L

L

S

T

A

Q

L

L

G

G

Q

L

A

D

L

L

P

-

R

-

H

-

G

S

T

E

K

D

I

L

A

A

T

L

E

A

N

L

A

L

M

R

A

E

I

V

C

L

D

R

D

E

A

A

Q

E

R

P

H

R

G

G

V

V

L

F

V

V

T

R

V

L

D
|
D

A
x
M

E

E

D

D

H

S

A

P

S

R

T

V

A

E

E

A

R

T

L

L

D

R

I

L

V

Y

R

R

T

A

V

L

R

R

T

E

D

E

-

G

F

F

P

S

T

Q

L

V

G

G

T

I

V
|
V

L

L

Q
|
Q

A

S

Y

Y

L

L

R

Y

R

R

T

T

E

E

D

K

D

D

C

L

T

L

E

D

F

L

S

L

G

P

P

Y

G

R

S

P

R

N

I

L

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y

Y

A

R

E

E

S

P

P

K

A

E

V

V

A

A

F

F

T

P

D

D

R

K

A

R

A

L

V

I

D

D

E

A

A

E

Y

Y

Q

L

R

H

C

L

L

G

R

K

I

L

L

A

M

L

C

K

G

E

S

G

G

L

Y

Y

P

V

M

A

I

F

A
|
A

S
x
T

H
|
H

D

D

P

P

V

R

M

I

I

I

E

A

S

E

A

L

R

K

V

R

L

Y

A

-

T

T

E

E

T

A

R

M

R

G

L

I

P

P

D

R

S

S

-

R

W

F

E

E

H

F

Q

Q

M

F

L
|
L

Y

Y

G

G

I

V

R

R

T

P

D

E

E

E

Q

Q

R

R

L

L

A

A

E

R

A

E

G

G

G

Y

A

T

V

V

R

R

V

A

Y

Y

L

V

P

P

F

Y

G

G

binding flavin mononucleotide: D96 (= D142), M97 (≠ A143), V124 (= V169), Q126 (= Q171), R147 (= R192), V149 (≠ C194), K150 (= K195), G151 (= G196), A152 (= A197), A188 (= A233), T189 (≠ S234), H190 (= H235), L217 (= L262)

5ur2B Crystal structure of proline utilization a (puta) from bdellovibrio bacteriovorus inactivated by n-propargylglycine (see paper)
27% identity, 88% coverage: 29:304/315 of query aligns to 81:402/959 of 5ur2B

query
sites
5ur2B

S

A

M

I

T

K

R

K

N

N

V

V

V

M

-

G

-

M

-

A

E

K

R

M

F

F

V

I

P

T

G

G

E

E

T

S

E

P

A

D

D

E

V

A

L

L

A

P

A

V

T

L

E

K

K

K

L

A

L

R

G

K

Q

N

G

K

L

M

M

T

V

F

S

T

I

V

D

D

H

I

L

L

G

G

E

E

D

A

T

T

T

L

D

S

E

E

R

K

Q

E

A

A

T

Q

A

D

T

Y

T

S

E

N

A

K

Y

Y

H

M

H

E

L

L

I

V

G

T

A

W

L

L

G

A

T

K

-

D

-

A

-

E

-

K

-

W

-

D

-

E

-

V

-

P

-

Q

-

I

-

D

-

R

-

D

-

H

L

E

G

G

A

A

A

L

P

P

N

K

S

-

L

V

E

N

V

V

S

S

L

V

K
|
K

L

M

S

T

A

A

L

L

-

Y

-

S

-

Q

-

I

G

K

Q

D

A

A

L

A

P

W

R

D

H

E

G

S

T

K

K

K

I

I

A

L

T

K

E

D

N

R

A

L

M

R

A

P

I

V

C

F

D

R

D

L

A

G

Q

M

R

E

H

K

G

G

V

V

L

F

V

V

T

N

V

L

D
|
D

A
x
M

E

E

D

Q

H

Y

A

S

S

V

T

K

A

H

E

L

R

T

L

L

D

E

I

V

V

F

R

T

T

E

V

L

R

I

T

N

D

E

-

P

-

E

-

F

-

K

-

N

F

Y

P

K

T

F

L

F

G

G

T

I

V

V

L

I

Q
|
Q

A

A

Y

Y

L

L

R

R

R

D

T

S

E

F

D

E

D

D

C

V

-

K

-

S

-

L

T

T

E

E

F

F

S

A

-

Q

-

K

-

R

G

G

P

T

G

P

S

F

R

W

I

V

R

R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y

Y

-
x
W

-

D

-

Y

-

E

-

T

-

I

-

E

A

A

E

E

S

Q

-

R

-

G

-

W

P

P

A

V

V

P

A

V

F
x
Y

T
|
T

D
x
N

R
x
K

A

A

A

E

V
x
S

D

D

E

A

A

N

Y

Y

Q

E

R

L

C

C

L

A

R

K

I

Y

L

L

M

L

C

E

G

N

S

I

G

K

Y

F

-

I

-

R

P

P

M

A

I

F

A
|
A

S
|
S

H
|
H

D
x
N

P

-

V

V

M

R

I

T

E

L

S

A

A

A

R

C

V

M

L

L

A

Y

T

A

E

E

T

K

R

L

R

N

L

I

P

P

-

K

D

E

S

A

W

L

E

E

H

F

Q
|
Q

M
|
M

L
|
L

Y

Y

G

G

I

M

R

A

T

E

D

P

E

I

Q

K

R

K

R

T

L

I

A

V

E

D

A

M

G

G

G

Y

A

R

V

M

R

R

V

E

Y
|
Y

L

A

P

P

F

V

G

G

A

E

E

L

W

I

Y

P

G

G

-

M

-

A

Y

Y

F

L

V

V

R

R

L

L

A

L

E
|
E

R

N

P

T

A

S

N

N

binding N-propargylglycine-modified flavin adenine dinucleotide: K174 (= K105), D215 (= D142), M216 (≠ A143), Q249 (= Q171), V278 (≠ C194), K279 (= K195), G280 (= G196), A281 (= A197), W283 (vs. gap), Y300 (≠ F206), T301 (= T207), N302 (≠ D208), K303 (≠ R209), S306 (≠ V212), A329 (= A233), S330 (= S234), H331 (= H235), N332 (≠ D236), Q356 (= Q260), M357 (= M261), L358 (= L262), Y379 (= Y283), E398 (= E300)

Sites not aligning to the query:

active site: 618, 641, 722, 756, 851, 931
binding N-propargylglycine-modified flavin adenine dinucleotide: 403, 405

7sqnA Structure of the e. Coli puta proline dehydrogenase domain (residues 86-630) complexed with (2s)-oxetane-2-carboxylic acid (see paper)
28% identity, 87% coverage: 36:310/315 of query aligns to 150:462/503 of 7sqnA

query
sites
7sqnA

E

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

A

D

E

V

A

L

L

A

A

A

N

T

A

E

R

K

K

L

L

L

E

G

E

Q

K

G

G

L

F

M

R

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

L

D

T

E

A

R

A

Q

D

A

A

T

Q

A

A

T

Y

T

M

E

V

A

S

Y

Y

H

Q

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

N

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K
|
K

L

L

S

S

A

A

L

L

G

H

Q

P

A

R

L

Y

P

S

R

R

H

A

G

Q

T

Y

K

D

I

R

A

V

T

M

E

E

N

E

A

L

M

Y

-

P

-

R

-

L

-

K

A

S

I

L

C

T

D

L

A

A

Q

R

R

Q

H

Y

G

D

V

I

L

G

V

I

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

S

A

D

S

R

T

L

A

E

E

I

R

S

L

L

D

D

I

L

V

L

R

E

T

K

V

L

R

C

T

F

D

E

-

P

-

E

-

L

-

A

-

G

F

W

P

N

T

G

L

I

G

G

T

F

V
|
V

L

I

Q
|
Q

A

A

Y

Y

L

Q

R

K

R

R

T

C

E

P

-

L

-

V

-

I

D

D

D

Y

C

L

T

I

E

D

F

L

S

A

G

T

P

R

G

S

S

R

R

R

-

R

-

L

-

M

I

I

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

A
x
W

E

D

S

S

P

E

A

I

V

K

-

R

-

A

-

Q

-

M

-

D

-

G

-

L

-

E

-

G

-

Y

-

P

A

V

F
x
Y

T
|
T

D
x
R

R
x
K

A

V

A

Y

V
x
T

D

D

E

V

A

S

Y

Y

Q

L

R

A

C

C

L

A

R

K

I

K

L

L

M

L

C

A

G

V

S

P

G

N

-

L

-

I

Y

Y

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

H

M

T

I

L

E

A

S

A

A

I

R

Y

V

Q

L

L

A

A

T

G

E

Q

T

N

R

-

R

Y

L

Y

P

P

D

G

S

Q

W

Y

E

E

H

F

Q

Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

-

L

-

Y

E

E

Q

Q

R

V

R

T

L

G

A

K

E

V

A

A

G

D

G

G

A

K

V

L

-

N

-

R

-

P

-

C

R

R

V

I

Y
|
Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y

Y

F

L

V

V

R
|
R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

T

T
x
S

F

F

F

V

A

N

R

R

binding (2S)-oxetane-2-carboxylic acid: K222 (= K105), Y433 (= Y283), R448 (= R296), R449 (= R297)
binding flavin-adenine dinucleotide: D263 (= D142), A264 (= A143), V295 (= V169), Q297 (= Q171), R324 (= R192), V326 (≠ C194), K327 (= K195), G328 (= G196), A329 (= A197), Y330 (= Y198), W331 (≠ A199), Y349 (≠ F206), T350 (= T207), R351 (≠ D208), K352 (≠ R209), T355 (≠ V212), A378 (= A233), T379 (≠ S234), H380 (= H235), N381 (≠ D236), C405 (≠ M261), L406 (= L262), E452 (= E300), S458 (≠ T306)

7mwvA Structure of the e. Coli puta proline dehydrogenase domain (residues 86-630) complexed with cyclopropanecarboxylic acid (see paper)
28% identity, 87% coverage: 36:310/315 of query aligns to 146:458/499 of 7mwvA

query
sites
7mwvA

E

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

A

D

E

V

A

L

L

A

A

A

N

T

A

E

R

K

K

L

L

L

E

G

E

Q

K

G

G

L

F

M

R

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

L

D

T

E

A

R

A

Q

D

A

A

T

Q

A

A

T

Y

T

M

E

V

A

S

Y

Y

H

Q

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

N

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K
|
K

L

L

S

S

A

A

L

L

G

H

Q

P

A

R

L

Y

P

S

R

R

H

A

G

Q

T

Y

K

D

I

R

A

V

T

M

E

E

N

E

A

L

M

Y

-

P

-

R

-

L

-

K

A

S

I

L

C

T

D

L

A

A

Q

R

R

Q

H

Y

G

D

V

I

L

G

V

I

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

S

A

D

S

R

T

L

A

E

E

I

R

S

L

L

D

D

I

L

V

L

R

E

T

K

V

L

R

C

T

F

D

E

-

P

-

E

-

L

-

A

-

G

F

W

P

N

T

G

L

I

G

G

T

F

V
|
V

L

I

Q
|
Q

A

A

Y

Y

L

Q

R

K

R

R

T

C

E

P

-

L

-

V

-

I

D

D

D

Y

C

L

T

I

E

D

F

L

S

A

G

T

P

R

G

S

S

R

R

R

-

R

-

L

-

M

I

I

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

A
x
W

E

D

S

S

P

E

A

I

V

K

-

R

-

A

-

Q

-

M

-

D

-

G

-

L

-

E

-

G

-

Y

-

P

A

V

F
x
Y

T
|
T

D
x
R

R
x
K

A

V

A

Y

V
x
T

D

D

E

V

A

S

Y

Y

Q

L

R

A

C

C

L

A

R

K

I

K

L

L

M

L

C

A

G

V

S

P

G

N

-

L

-

I

Y

Y

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

H

M

T

I

L

E

A

S

A

A

I

R

Y

V

Q

L

L

A

A

T

G

E

Q

T

N

R

-

R

Y

L

Y

P

P

D

G

S

Q

W

Y

E

E

H

F

Q

Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

-

L

-

Y

E

E

Q

Q

R

V

R

T

L

G

A

K

E

V

A

A

G

D

G

G

A

K

V

L

-

N

-

R

-

P

-

C

R

R

V

I

Y
|
Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y
|
Y

F

L

V

V

R
|
R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

T

T
x
S

F

F

F

V

A

N

R

R

binding flavin-adenine dinucleotide: D259 (= D142), A260 (= A143), V291 (= V169), Q293 (= Q171), R320 (= R192), V322 (≠ C194), K323 (= K195), G324 (= G196), A325 (= A197), Y326 (= Y198), W327 (≠ A199), Y345 (≠ F206), T346 (= T207), R347 (≠ D208), K348 (≠ R209), T351 (≠ V212), A374 (= A233), T375 (≠ S234), H376 (= H235), N377 (≠ D236), C401 (≠ M261), L402 (= L262), E448 (= E300), S454 (≠ T306)
binding cyclopropanecarboxylic acid: K218 (= K105), Y429 (= Y283), Y441 (= Y293), R444 (= R296), R445 (= R297)

7mwuA Structure of the e. Coli puta proline dehydrogenase domain (residues 86-630) complexed with cyclobutanecarboxylic acid (see paper)
28% identity, 87% coverage: 36:310/315 of query aligns to 146:458/499 of 7mwuA

query
sites
7mwuA

E

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

A

D

E

V

A

L

L

A

A

A

N

T

A

E

R

K

K

L

L

L

E

G

E

Q

K

G

G

L

F

M

R

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

L

D

T

E

A

R

A

Q

D

A

A

T

Q

A

A

T

Y

T

M

E

V

A

S

Y

Y

H

Q

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

N

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K
|
K

L

L

S

S

A

A

L

L

G

H

Q

P

A

R

L

Y

P

S

R

R

H

A

G

Q

T

Y

K

D

I

R

A

V

T

M

E

E

N

E

A

L

M

Y

-

P

-

R

-

L

-

K

A

S

I

L

C

T

D

L

A

A

Q

R

R

Q

H

Y

G

D

V

I

L

G

V

I

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

S

A

D

S

R

T

L

A

E

E

I

R

S

L

L

D

D

I

L

V

L

R

E

T

K

V

L

R

C

T

F

D

E

-

P

-

E

-

L

-

A

-

G

F

W

P

N

T

G

L

I

G

G

T

F

V
|
V

L

I

Q
|
Q

A

A

Y

Y

L

Q

R

K

R

R

T

C

E

P

-

L

-

V

-

I

D

D

D

Y

C

L

T

I

E

D

F

L

S

A

G

T

P

R

G

S

S

R

R

R

-

R

-

L

-

M

I

I

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

A
x
W

E

D

S

S

P

E

A

I

V

K

-

R

-

A

-

Q

-

M

-

D

-

G

-

L

-

E

-

G

-

Y

-

P

A

V

F
x
Y

T
|
T

D
x
R

R
x
K

A

V

A

Y

V
x
T

D

D

E

V

A

S

Y

Y

Q

L

R

A

C

C

L

A

R

K

I

K

L

L

M

L

C

A

G

V

S

P

G

N

-

L

-

I

Y

Y

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

H

M

T

I

L

E

A

S

A

A

I

R

Y

V

Q

L

L

A

A

T

G

E

Q

T

N

R

-

R

Y

L

Y

P

P

D

G

S

Q

W

Y

E

E

H

F

Q

Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

-

L

-

Y

E

E

Q

Q

R

V

R

T

L

G

A

K

E

V

A

A

G

D

G

G

A

K

V

L

-

N

-

R

-

P

-

C

R

R

V

I

Y
|
Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y
|
Y

F

L

V

V

R
|
R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

T

T
x
S

F

F

F

V

A

N

R

R

binding flavin-adenine dinucleotide: D259 (= D142), A260 (= A143), V291 (= V169), Q293 (= Q171), R320 (= R192), V322 (≠ C194), K323 (= K195), G324 (= G196), A325 (= A197), Y326 (= Y198), W327 (≠ A199), Y345 (≠ F206), T346 (= T207), R347 (≠ D208), K348 (≠ R209), T351 (≠ V212), A374 (= A233), T375 (≠ S234), H376 (= H235), N377 (≠ D236), C401 (≠ M261), L402 (= L262), E448 (= E300), S454 (≠ T306)
binding cyclobutanecarboxylic acid: K218 (= K105), L402 (= L262), Y429 (= Y283), Y441 (= Y293), R444 (= R296), R445 (= R297)

7mwtA Structure of the e. Coli puta proline dehydrogenase domain (residues 86-630) complexed with 1,1-cyclobutanedicarboxylate (see paper)
28% identity, 87% coverage: 36:310/315 of query aligns to 146:458/499 of 7mwtA

query
sites
7mwtA

E

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

A

D

E

V

A

L

L

A

A

A

N

T

A

E

R

K

K

L

L

L

E

G

E

Q

K

G

G

L

F

M

R

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

L

D

T

E

A

R

A

Q

D

A

A

T

Q

A

A

T

Y

T

M

E

V

A

S

Y

Y

H

Q

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

N

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K
|
K

L

L

S

S

A

A

L

L

G

H

Q

P

A

R

L

Y

P

S

R

R

H

A

G

Q

T

Y

K

D

I

R

A

V

T

M

E

E

N

E

A

L

M

Y

-

P

-

R

-

L

-

K

A

S

I

L

C

T

D

L

A

A

Q

R

R

Q

H

Y

G

D

V

I

L

G

V

I

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

S

A

D

S

R

T

L

A

E

E

I

R

S

L

L

D

D

I

L

V

L

R

E

T

K

V

L

R

C

T

F

D

E

-

P

-

E

-

L

-

A

-

G

F

W

P

N

T

G

L

I

G

G

T

F

V
|
V

L

I

Q
|
Q

A

A

Y

Y

L

Q

R

K

R

R

T

C

E

P

-

L

-

V

-

I

D

D

D

Y

C

L

T

I

E

D

F

L

S

A

G

T

P

R

G

S

S

R

R

R

-

R

-

L

-

M

I

I

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

A
x
W

E

D

S

S

P

E

A

I

V

K

-

R

-

A

-

Q

-

M

-

D

-

G

-

L

-

E

-

G

-

Y

-

P

A

V

F
x
Y

T
|
T

D
x
R

R
x
K

A

V

A

Y

V
x
T

D

D

E

V

A

S

Y

Y

Q

L

R

A

C

C

L

A

R

K

I

K

L

L

M

L

C

A

G

V

S

P

G

N

-

L

-

I

Y

Y

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

H

M

T

I

L

E

A

S

A

A

I

R

Y

V

Q

L

L

A

A

T

G

E

Q

T

N

R

-

R

Y

L

Y

P

P

D

G

S

Q

W

Y

E

E

H

F

Q

Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

-

L

-

Y

E

E

Q

Q

R

V

R

T

L

G

A

K

E

V

A

A

G

D

G

G

A

K

V

L

-

N

-

R

-

P

-

C

R

R

V

I

Y
|
Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y
|
Y

F

L

V

V

R
|
R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

T

T
x
S

F

F

F

V

A

N

R

R

binding flavin-adenine dinucleotide: D259 (= D142), A260 (= A143), V291 (= V169), Q293 (= Q171), R320 (= R192), V322 (≠ C194), K323 (= K195), G324 (= G196), A325 (= A197), Y326 (= Y198), W327 (≠ A199), Y345 (≠ F206), T346 (= T207), R347 (≠ D208), K348 (≠ R209), T351 (≠ V212), A374 (= A233), T375 (≠ S234), H376 (= H235), N377 (≠ D236), C401 (≠ M261), L402 (= L262), E448 (= E300), S454 (≠ T306)
binding cyclobutane-1,1-dicarboxylic acid: K218 (= K105), Y326 (= Y198), Y429 (= Y283), Y441 (= Y293), R444 (= R296), R445 (= R297)

1tj2A Crystal structure of e. Coli puta proline dehydrogenase domain (residues 86-669) complexed with acetate (see paper)
28% identity, 87% coverage: 36:310/315 of query aligns to 97:409/450 of 1tj2A

query
sites
1tj2A

E

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

A

D

E

V

A

L

L

A

A

A

N

T

A

E

R

K

K

L

L

L

E

G

E

Q

K

G

G

L

F

M

R

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

L

D

T

E

A

R

A

Q

D

A

A

T

Q

A

A

T

Y

T

M

E

V

A

S

Y

Y

H

Q

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

N

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K
|
K

L

L

S

S

A

A

L

L

G

H

Q

P

A

R

L

Y

P

S

R

R

H

A

G

Q

T

Y

K

D

I

R

A

V

T

M

E

E

N

E

A

L

M

Y

-

P

-

R

-

L

-

K

A

S

I

L

C

T

D

L

A

A

Q

R

R

Q

H

Y

G

D

V

I

L

G

V

I

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

S

A

D

S

R

T

L

A

E

E

I

R

S

L

L

D

D

I

L

V

L

R

E

T

K

V

L

R

C

T

F

D

E

-

P

-

E

-

L

-

A

-

G

F

W

P

N

T

G

L

I

G

G

T

F

V
|
V

L

I

Q
|
Q

A

A

Y

Y

L

Q

R

K

R

R

T

C

E

P

-

L

-

V

-

I

D

D

D

Y

C

L

T

I

E

D

F

L

S

A

G

T

P

R

G

S

S

R

R

R

-

R

-

L

-

M

I

I

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

A
x
W

E

D

S

S

P

E

A

I

V

K

-

R

-

A

-

Q

-

M

-

D

-

G

-

L

-

E

-

G

-

Y

-

P

A

V

F
x
Y

T
|
T

D
x
R

R
x
K

A

V

A

Y

V
x
T

D

D

E

V

A

S

Y

Y

Q

L

R

A

C

C

L

A

R

K

I

K

L

L

M

L

C

A

G

V

S

P

G

N

-

L

-

I

Y

Y

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

H

M

T

I

L

E

A

S

A

A

I

R

Y

V

Q

L

L

A

A

T

G

E

Q

T

N

R

-

R

Y

L

Y

P

P

D

G

S

Q

W

Y

E

E

H

F

Q
|
Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

-

L

-

Y

E

E

Q

Q

R

V

R

T

L

G

A

K

E

V

A

A

G

D

G

G

A

K

V

L

-

N

-

R

-

P

-

C

R

R

V

I

Y

Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y
|
Y

F

L

V

V

R
|
R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

T

T
x
S

F

F

F

V

A

N

R

R

binding acetate ion: K169 (= K105), Y392 (= Y293), R395 (= R296), R396 (= R297)
binding flavin-adenine dinucleotide: D210 (= D142), A211 (= A143), V242 (= V169), Q244 (= Q171), R271 (= R192), V273 (≠ C194), K274 (= K195), G275 (= G196), A276 (= A197), Y277 (= Y198), W278 (≠ A199), Y296 (≠ F206), T297 (= T207), R298 (≠ D208), K299 (≠ R209), T302 (≠ V212), A325 (= A233), T326 (≠ S234), H327 (= H235), N328 (≠ D236), Q351 (= Q260), C352 (≠ M261), L353 (= L262), E399 (= E300), S405 (≠ T306)

2fznA Structure of the e. Coli puta proline dehydrogenase domain reduced by dithionite and complexed with proline
28% identity, 87% coverage: 36:310/315 of query aligns to 96:408/449 of 2fznA

query
sites
2fznA

E

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

A

D

E

V

A

L

L

A

A

A

N

T

A

E

R

K

K

L

L

L

E

G

E

Q

K

G

G

L

F

M

R

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

L

D

T

E

A

R

A

Q

D

A

A

T

Q

A

A

T

Y

T

M

E

V

A

S

Y

Y

H

Q

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

N

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K
|
K

L

L

S

S

A

A

L

L

G

H

Q

P

A

R

L

Y

P

S

R

R

H

A

G

Q

T

Y

K

D

I

R

A

V

T

M

E

E

N

E

A

L

M

Y

-

P

-

R

-

L

-

K

A

S

I

L

C

T

D

L

A

A

Q

R

R

Q

H

Y

G

D

V

I

L

G

V

I

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

S

A

D

S

R

T

L

A

E

E

I

R

S

L

L

D

D

I

L

V

L

R

E

T

K

V

L

R

C

T

F

D

E

-

P

-

E

-

L

-

A

-

G

F

W

P

N

T

G

L

I

G

G

T

F

V
|
V

L

I

Q
|
Q

A

A

Y

Y

L

Q

R

K

R

R

T

C

E

P

-

L

-

V

-

I

D

D

D

Y

C

L

T

I

E

D

F

L

S

A

G

T

P

R

G

S

S

R

R

R

-

R

-

L

-

M

I

I

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

A
x
W

E

D

S

S

P

E

A

I

V

K

-

R

-

A

-

Q

-

M

-

D

-

G

-

L

-

E

-

G

-

Y

-

P

A

V

F
x
Y

T
|
T

D
x
R

R
x
K

A

V

A

Y

V
x
T

D

D

E

V

A

S

Y

Y

Q

L

R

A

C

C

L

A

R

K

I

K

L

L

M

L

C

A

G

V

S

P

G

N

-

L

-

I

Y

Y

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

H

M

T

I

L

E

A

S

A

A

I

R

Y

V

Q

L

L

A

A

T

G

E

Q

T

N

R

-

R

Y

L

Y

P

P

D

G

S

Q

W

Y

E

E

H

F

Q
|
Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

-

L

-

Y

E

E

Q

Q

R

V

R

T

L

G

A

K

E

V

A

A

G

D

G

G

A

K

V

L

-

N

-

R

-

P

-

C

R

R

V

I

Y
|
Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y

Y

F

L

V

V

R
|
R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

T

T
x
S

F

F

F

V

A

N

R

R

binding flavin-adenine dinucleotide: D209 (= D142), A210 (= A143), V241 (= V169), Q243 (= Q171), R270 (= R192), V272 (≠ C194), K273 (= K195), G274 (= G196), A275 (= A197), Y276 (= Y198), W277 (≠ A199), Y295 (≠ F206), T296 (= T207), R297 (≠ D208), K298 (≠ R209), T301 (≠ V212), A324 (= A233), T325 (≠ S234), H326 (= H235), N327 (≠ D236), Q350 (= Q260), C351 (≠ M261), L352 (= L262), E398 (= E300), S404 (≠ T306)
binding proline: K168 (= K105), L352 (= L262), Y379 (= Y283), R394 (= R296), R395 (= R297)

8w0kA Minimal puta proline dehydrogenase domain (design #2) complexed with 1-hydroxyethane-1-sulfonate (see paper)
27% identity, 96% coverage: 8:310/315 of query aligns to 19:361/380 of 8w0kA

query
sites
8w0kA

L

L

R

P

P

P

G

L

I

V

L

E

A

A

G

T

R

Q

S

S

D

K

R

E

L

I

K

R

V

D

A

A

S

A

R

S

T

T

S

A

M

R

T

K

-

L

-

I

-

E

-

A

-

L

R

R

N

G

V

K

V

G

E

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

R

D

E

V

A

L

L

A

K

A

R

T

S

E

K

K

E

L

L

L

E

G

E

Q

K

G

G

L

F

M

S

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

T

D

T

E

A

R

A

Q

D

A

A

T

E

A

R

T

Y

E

R

A

D

Y

Y

H

E

H

S

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

A

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K
|
K

L

L

S

S

A

A

L

L

-

H

-

P

-

R

-

Y

-

S

-

R

G

A

Q

Q

A

A

L

A

P

R

R

V

H

M

G

G

T

E

K

L

I

L

A

P

T

R

E

V

N

K

A

A

M

L

A

A

I

L

C

L

D

-

A

A

Q

K

R

N

H

Y

G

D

V

I

L

G

V

L

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

A

A

D

S

R

T

L

A

E

E

L

R

S

L

L

D

D

I

L

V

L

R

E

T

V

V

L

R

C

T

L

D

D

-

G

-

D

-

L

-

S

-

G

F

W

P

N

T

G

L

M

G

G

T

F

V
|
V

L

V

Q
|
Q

A

A

Y

Y

L

G

R

K

R

R

T

C

E

P

-

F

-

V

-

L

-

D

-

F

-

I

D

I

D

D

C

L

T

A

E

R

F

R

S

S

G

G

P

R

G

R

S

I

R

M

I

V

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

-
x
W

-

D

-

A

-

E

-

I

-

K

-

R

-

A

-

Q

-

L

-

D

-

G

-

L

A

A

E

D

S

F

P

P

A

-

V

-

A

V

F
|
F

T
|
T

D
x
R

R
x
K

A

I

A

H

V
x
T

D

D

E

V

A

S

Y

Y

Q

I

R

A

C

C

L

A

R

A

I

K

L

L

M

L

C

A

G

A

S

T

G

D

-

V

Y

F

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

Q

M

T

I

L

E

A

S

A

A

I

R

Y

V

H

L

M

A

A

T

G

E

K

T

D

R

F

R

H

L

V

P

-

D

G

S

K

W

Y

E

E

H

F

Q

Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

E

L

Q

Y

R

E

L

V

A

V

E

G

A

R

G

G

G

K

-

L

-

D

-

R

A

P

V

C

R

R

V

I

Y
|
Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y
|
Y

F

L

V

V

R
|
R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

S

T
x
S

F
|
F

F

V

A

H

R

R

binding flavin-adenine dinucleotide: D165 (= D142), A166 (= A143), V197 (= V169), Q199 (= Q171), R226 (= R192), V228 (≠ C194), K229 (= K195), G230 (= G196), A231 (= A197), Y232 (= Y198), W233 (vs. gap), F251 (= F206), T252 (= T207), R253 (≠ D208), K254 (≠ R209), T257 (≠ V212), A280 (= A233), T281 (≠ S234), H282 (= H235), N283 (≠ D236), C307 (≠ M261), L308 (= L262), E351 (= E300), S357 (≠ T306), F358 (= F307)
binding (1R)-1-hydroxyethane-1-sulfonic acid: K124 (= K105), A231 (= A197), Y332 (= Y283), Y344 (= Y293), R347 (= R296), R348 (= R297)

8dkqA Minimal puta proline dehydrogenase domain (design #2) complexed with 2-(furan-2-yl)acetic acid (see paper)
27% identity, 96% coverage: 8:310/315 of query aligns to 20:362/381 of 8dkqA

query
sites
8dkqA

L

L

R

P

P

P

G

L

I

V

L

E

A

A

G

T

R

Q

S

S

D

K

R

E

L

I

K

R

V

D

A

A

S

A

R

S

T

T

S

A

M

R

T

K

-

L

-

I

-

E

-

A

-

L

R

R

N

G

V

K

V

G

E

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

R

D

E

V

A

L

L

A

K

A

R

T

S

E

K

K

E

L

L

L

E

G

E

Q

K

G

G

L

F

M

S

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

T

D

T

E

A

R

A

Q

D

A

A

T

E

A

R

T

Y

E

R

A

D

Y

Y

H

E

H

S

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

A

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K
|
K

L

L

S

S

A

A

L

L

-

H

-

P

-

R

-

Y

-

S

-

R

G

A

Q

Q

A

A

L

A

P

R

R

V

H

M

G

G

T

E

K

L

I

L

A

P

T

R

E

V

N

K

A

A

M

L

A

A

I

L

C

L

D

-

A

A

Q

K

R

N

H

Y

G

D

V

I

L

G

V

L

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

A

A

D

S

R

T

L

A

E

E

L

R

S

L

L

D

D

I

L

V

L

R

E

T

V

V

L

R

C

T

L

D

D

-

G

-

D

-

L

-

S

-

G

F

W

P

N

T

G

L

M

G

G

T

F

V
|
V

L

V

Q
|
Q

A

A

Y

Y

L

G

R

K

R

R

T

C

E

P

-

F

-

V

-

L

-

D

-

F

-

I

D

I

D

D

C

L

T

A

E

R

F

R

S

S

G

G

P

R

G

R

S

I

R

M

I

V

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

-
x
W

-

D

-

A

-

E

-

I

-

K

-

R

-

A

-

Q

-

L

-

D

-

G

-

L

A

A

E

D

S

F

P

P

A

-

V

-

A

V

F
|
F

T
|
T

D
x
R

R
x
K

A

I

A

H

V
x
T

D

D

E

V

A

S

Y

Y

Q

I

R

A

C

C

L

A

R

A

I

K

L

L

M

L

C

A

G

A

S

T

G

D

-

V

Y

F

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

Q

M

T

I

L

E

A

S

A

A

I

R

Y

V

H

L

M

A

A

T

G

E

K

T

D

R

F

R

H

L

V

P

-

D

G

S

K

W

Y

E

E

H

F

Q

Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

E

L

Q

Y

R

E

L

V

A

V

E

G

A

R

G

G

G

K

-

L

-

D

-

R

A

P

V

C

R

R

V

I

Y
|
Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y

Y

F

L

V

V

R
|
R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

S

T
x
S

F
|
F

F

V

A

H

R

R

binding flavin-adenine dinucleotide: D166 (= D142), A167 (= A143), V198 (= V169), Q200 (= Q171), R227 (= R192), V229 (≠ C194), K230 (= K195), G231 (= G196), A232 (= A197), Y233 (= Y198), W234 (vs. gap), F252 (= F206), T253 (= T207), R254 (≠ D208), K255 (≠ R209), T258 (≠ V212), A281 (= A233), T282 (≠ S234), H283 (= H235), N284 (≠ D236), C308 (≠ M261), L309 (= L262), E352 (= E300), S358 (≠ T306), F359 (= F307)
binding (furan-2-yl)acetic acid: K125 (= K105), D166 (= D142), A232 (= A197), L309 (= L262), Y333 (= Y283), R348 (= R296), R349 (= R297)

8w0kB Minimal puta proline dehydrogenase domain (design #2) complexed with 1-hydroxyethane-1-sulfonate (see paper)
27% identity, 96% coverage: 8:310/315 of query aligns to 22:364/383 of 8w0kB

query
sites
8w0kB

L

L

R

P

P

P

G

L

I

V

L

E

A

A

G

T

R

Q

S

S

D

K

R

E

L

I

K

R

V

D

A

A

S

A

R

S

T

T

S

A

M

R

T

K

-

L

-

I

-

E

-

A

-

L

R

R

N

G

V

K

V

G

E

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

R

D

E

V

A

L

L

A

K

A

R

T

S

E

K

K

E

L

L

L

E

G

E

Q

K

G

G

L

F

M

S

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

T

D

T

E

A

R

A

Q

D

A

A

T

E

A

R

T

Y

E

R

A

D

Y

Y

H

E

H

S

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

A

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K
|
K

L

L

S

S

A

A

L

L

-

H

-

P

-

R

-

Y

-

S

-

R

G

A

Q

Q

A

A

L

A

P

R

R

V

H

M

G

G

T

E

K

L

I

L

A

P

T

R

E

V

N

K

A

A

M

L

A

A

I

L

C

L

D

-

A

A

Q

K

R

N

H

Y

G

D

V

I

L

G

V

L

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

A

A

D

S

R

T

L

A

E

E

L

R

S

L

L

D

D

I

L

V

L

R

E

T

V

V

L

R

C

T

L

D

D

-

G

-

D

-

L

-

S

-

G

F

W

P

N

T

G

L

M

G

G

T

F

V
|
V

L

V

Q
|
Q

A

A

Y

Y

L

G

R

K

R

R

T

C

E

P

-

F

-

V

-

L

-

D

-

F

-

I

D

I

D

D

C

L

T

A

E

R

F

R

S

S

G

G

P

R

G

R

S

I

R

M

I

V

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

-
x
W

-

D

-

A

-

E

-

I

-

K

-

R

-

A

-

Q

-

L

-

D

-

G

-

L

A

A

E

D

S

F

P

P

A

-

V

-

A

V

F
|
F

T
|
T

D
x
R

R
x
K

A

I

A

H

V
x
T

D

D

E

V

A

S

Y

Y

Q

I

R

A

C

C

L

A

R

A

I

K

L

L

M

L

C

A

G

A

S

T

G

D

-

V

Y

F

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

Q

M

T

I

L

E

A

S

A

A

I

R

Y

V

H

L

M

A

A

T

G

E

K

T

D

R

F

R

H

L

V

P

-

D

G

S

K

W

Y

E

E

H

F

Q

Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

E

L

Q

Y

R

E

L

V

A

V

E

G

A

R

G

G

G

K

-

L

-

D

-

R

A

P

V

C

R

R

V

I

Y
|
Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y
|
Y

F

L

V

V

R
|
R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

S

T
x
S

F
|
F

F

V

A

H

R

R

binding flavin-adenine dinucleotide: D168 (= D142), A169 (= A143), V200 (= V169), Q202 (= Q171), R229 (= R192), V231 (≠ C194), K232 (= K195), G233 (= G196), A234 (= A197), Y235 (= Y198), W236 (vs. gap), F254 (= F206), T255 (= T207), R256 (≠ D208), K257 (≠ R209), T260 (≠ V212), A283 (= A233), T284 (≠ S234), H285 (= H235), N286 (≠ D236), C310 (≠ M261), L311 (= L262), E354 (= E300), S360 (≠ T306), F361 (= F307)
binding (1R)-1-hydroxyethane-1-sulfonic acid: K127 (= K105), A234 (= A197), Y335 (= Y283), Y347 (= Y293), R350 (= R296), R351 (= R297)

9c8aB Minimal puta proline dehydrogenase domain (design #2) with the fad n5 modified with propanal resulting from inactivation with n- allylglycine(replicate #1) (see paper)
27% identity, 96% coverage: 8:310/315 of query aligns to 23:364/384 of 9c8aB

query
sites
9c8aB

L

L

R

P

P

P

G

L

I

V

L

E

A

A

G

T

R

Q

S

S

D

K

R

E

L

I

K

R

V

D

A

A

S

A

R

S

T

T

S

A

M

-

T

-

R

R

N

K

V

L

V

I

E

E

-

A

-

L

-

R

-

G

-

K

-

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

R

D

E

V

A

L

L

A

K

A

R

T

S

E

K

K

E

L

L

L

E

G

E

Q

K

G

G

L

F

M

S

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

T

D

T

E

A

R

A

Q

D

A

A

T

E

A

R

T

Y

E

R

A

D

Y

Y

H

E

H

S

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

A

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K

K

L

L

S

S

A

A

L

L

-

H

-

P

-

R

-

Y

-

S

-

R

G

A

Q

Q

A

A

L

A

P

R

R

V

H

M

G

G

T

E

K

L

I

L

A

P

T

R

E

V

N

K

A

A

M

L

A

A

I

L

C

L

D

-

A

A

Q

K

R

N

H

Y

G

D

V

I

L

G

V

L

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

A

A

D

S

R

T

L

A

E

E

L

R

S

L

L

D

D

I

L

V

L

R

E

T

V

V

L

R

C

T

L

D

D

-

G

-

D

-

L

-

S

-

G

F

W

P

N

T

G

L

M

G

G

T

F

V
|
V

L

V

Q
|
Q

A

A

Y

Y

L

G

R

K

R

R

T

C

E

P

-

F

-

V

-

L

-

D

-

F

-

I

D

I

D

D

C

L

T

A

E

R

F

R

S

S

G

G

P

R

G

R

S

I

R

M

I

V

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

-
x
W

-

D

-

A

-

E

-

I

-

K

-

R

-

A

-

Q

-

L

-

D

-

G

-

L

A

A

E

D

S

F

P

P

A

-

V

-

A

V

F
|
F

T
|
T

D
x
R

R
x
K

A

I

A

H

V
x
T

D

D

E

V

A

S

Y

Y

Q

I

R

A

C

C

L

A

R

A

I

K

L

L

M

L

C

A

G

A

S

T

G

D

-

V

Y

F

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

Q

M

T

I

L

E

A

S

A

A

I

R

Y

V

H

L

M

A

A

T

G

E

K

T

D

R

F

R

H

L

V

P

-

D

G

S

K

W

Y

E

E

H

F

Q
|
Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

E

L

Q

Y

R

E

L

V

A

V

E

G

A

R

G

G

G

K

-

L

-

D

-

R

A

P

V

C

R

R

V

I

Y
|
Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y

Y

F

L

V

V

R

R

R
|
R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

S

T
x
S

F
|
F

F

V

A

H

R

R

binding propanal: Y335 (= Y283), R351 (= R297)
binding flavin-adenine dinucleotide: D168 (= D142), A169 (= A143), R229 (= R192), V231 (≠ C194), K232 (= K195), G233 (= G196), A234 (= A197), Y235 (= Y198), W236 (vs. gap), F254 (= F206), T255 (= T207), R256 (≠ D208), K257 (≠ R209), T260 (≠ V212), A283 (= A233), T284 (≠ S234), H285 (= H235), N286 (≠ D236), C310 (≠ M261), L311 (= L262), E354 (= E300), S360 (≠ T306), F361 (= F307)
binding dihydroflavine-adenine dinucleotide: D168 (= D142), A169 (= A143), V200 (= V169), Q202 (= Q171), R229 (= R192), V231 (≠ C194), K232 (= K195), G233 (= G196), A234 (= A197), W236 (vs. gap), F254 (= F206), T255 (= T207), R256 (≠ D208), K257 (≠ R209), T260 (≠ V212), A283 (= A233), T284 (≠ S234), H285 (= H235), N286 (≠ D236), Q309 (= Q260), C310 (≠ M261), L311 (= L262), E354 (= E300), S360 (≠ T306)

9d7lA Bifunctional protein PutA (see paper)
27% identity, 96% coverage: 8:310/315 of query aligns to 21:362/380 of 9d7lA

query
sites
9d7lA

L

L

R

P

P

P

G

L

I

V

L

E

A

A

G

T

R

Q

S

S

D

K

R

E

L

I

K

R

V

D

A

A

S

A

R

S

T

T

S

A

M

-

T

-

R

R

N

K

V

L

V

I

E

E

-

A

-

L

-

R

-

G

-

K

-

H

-

G

-

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

R

D

E

V

A

L

L

A

K

A

R

T

S

E

K

K

E

L

L

L

E

G

E

Q

K

G

G

L

F

M

S

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

T

D

T

E

A

R

A

Q

D

A

A

T

E

A

R

T

Y

E

R

A

D

Y

Y

H

E

H

S

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

A

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K
|
K

L

L

S

S

A

A

L

L

-

H

-

P

-

R

-

Y

-

S

-

R

G

A

Q

Q

A

A

L

A

P

R

R

V

H

M

G

G

T

E

K

L

I

L

A

P

T

R

E

V

N

K

A

A

M

L

A

A

I

L

C

L

D

-

A

A

Q

K

R

N

H

Y

G

D

V

I

L

G

V

L

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

A

A

D

S

R

T

L

A

E

E

L

R

S

L

L

D

D

I

L

V

L

R

E

T

V

V

L

R

C

T

L

D

D

-

G

-

D

-

L

-

S

-

G

F

W

P

N

T

G

L

M

G

G

T

F

V
|
V

L

V

Q
|
Q

A

A

Y

Y

L

G

R

K

R

R

T

C

E

P

-

F

-

V

-

L

-

D

-

F

-

I

D

I

D

D

C

L

T

A

E

R

F

R

S

S

G

G

P

R

G

R

S

I

R

M

I

V

R
|
R

L

L

C
x
V

K
|
K

G
|
G

A
|
A

Y
|
Y

-
x
W

-

D

-

A

-

E

-

I

-

K

-

R

-

A

-

Q

-

L

-

D

A

A

E

D

S

F

P

P

A

-

V

-

A

V

F
|
F

T
|
T

D
x
R

R
x
K

A

I

A

H

V
x
T

D

D

E

V

A

S

Y

Y

Q

I

R

A

C

C

L

A

R

A

I

K

L

L

M

L

C

A

G

A

S

T

G

D

-

V

Y

F

P

P

M

Q

I

F

A
|
A

S
x
T

H
|
H

D
x
N

P

A

V

Q

M

T

I

L

E

A

S

A

A

I

R

Y

V

H

L

M

A

A

T

G

E

K

T

D

R

F

R

H

L

V

P

-

D

G

S

K

W

Y

E

E

H

F

Q
|
Q

M
x
C

L
|
L

Y

H

G

G

I

M

R

G

T

E

D

P

E

L

Q

Y

R

E

L

V

A

V

E

G

A

R

G

G

G

K

-

L

-

D

-

R

A

P

V

C

R

R

V

I

Y
|
Y

L

A

P

P

F

V

G

G

A

T

E

H

-

E

-

T

W

L

Y

L

G

A

Y
|
Y

F

L

V

V

R

R

L

L

A

L

E
|
E

R

N

P

G

A

A

N

N

L

S

T
x
S

F

F

F

V

A

H

R

R

binding {[(3E)-4-{10-[(2S,3S,4R)-5-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(6-amino-9H-purin-9-yl)-3,4-dihydroxyoxolan-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-2,3,4-trihydroxypentyl]-7,8-dimethyl-2,4-dioxo-2,3,4,10-tetrahydrobenzo[g]pteridin-5(1H)-yl}but-3-en-2-ylidene]amino}acetic acid (non-preferred name): K127 (= K105), D168 (= D142), A169 (= A143), V200 (= V169), Q202 (= Q171), R229 (= R192), V231 (≠ C194), K232 (= K195), G233 (= G196), A234 (= A197), Y235 (= Y198), W236 (vs. gap), F252 (= F206), T253 (= T207), R254 (≠ D208), K255 (≠ R209), T258 (≠ V212), A281 (= A233), T282 (≠ S234), H283 (= H235), N284 (≠ D236), Q307 (= Q260), C308 (≠ M261), L309 (= L262), Y333 (= Y283), Y345 (= Y293), E352 (= E300), S358 (≠ T306)

9c8aA Minimal puta proline dehydrogenase domain (design #2) with the fad n5 modified with propanal resulting from inactivation with n- allylglycine(replicate #1) (see paper)
27% identity, 96% coverage: 8:310/315 of query aligns to 20:363/382 of 9c8aA

query
sites
9c8aA

L

L

R

P

P

P

G

L

I

V

L

E

A

A

G

T

R

Q

S

S

D

K

R

E

L

I

K

R

V

D

A

A

S

A

R

S

T

T

S

A

M

-

T

-

R

R

N

K

V

L

V

I

E

E

-

A

-

L

-

R

-

G

-

K

-

H

-

G

-

E

R

Q

F

F

V

V

P

T

G

G

E

E

T

T

E

I

A

R

D

E

V

A

L

L

A

K

A

R

T

S

E

K

K

E

L

L

L

E

G

E

Q

K

G

G

L

F

M

S

V

Y

S

S

I

Y

D

D

H

M

L

L

G

G

E

E

D

A

T

A

T

T

D

T

E

A

R

A

Q

D

A

A

T

E

A

R

T

Y

E

R

A

D

Y

Y

H

E

H

S

L

A

I

I

G

H

A

A

L

I

G

G

T

K

L

A

G

S

A

A

A

G

P

R

N

G

S

I

L

Y

E

E

-

G

-

P

-

G

V

I

S

S

L

I

K

K

L

L

S

S

A

A

L

L

-

H

-

P

-

R

-

Y

-

S

-

R

G

A

Q

Q

A

A

L

A

P

R

R

V

H

M

G

G

T

E

K

L

I

L

A

P

T

R

E

V

N

K

A

A

M

L

A

A

I

L

C

L

D

-

A

A

Q

K

R

N

H

Y

G

D

V

I

L

G

V

L

T

N

V

I

D
|
D

A
|
A

E

E

D

E

H

A

A

D

S

R

T

L

A

E

E

L

R

S

L

L

D

D

I

L

V

L

R

E

T

V

V

L

R

C

T

L

D

D

-

G

-

D

-

L

-

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binding flavin-adenine dinucleotide: D167 (= D142), A168 (= A143), Q201 (= Q171), R228 (= R192), V230 (≠ C194), K231 (= K195), G232 (= G196), A233 (= A197), Y234 (= Y198), W235 (vs. gap), F253 (= F206), T254 (= T207), R255 (≠ D208), K256 (≠ R209), T259 (≠ V212), A282 (= A233), T283 (≠ S234), H284 (= H235), N285 (≠ D236), C309 (≠ M261), L310 (= L262), E353 (= E300), S359 (≠ T306), F360 (= F307)
binding dihydroflavine-adenine dinucleotide: D167 (= D142), A168 (= A143), V199 (= V169), Q201 (= Q171), R228 (= R192), V230 (≠ C194), K231 (= K195), G232 (= G196), A233 (= A197), Y234 (= Y198), W235 (vs. gap), F253 (= F206), T254 (= T207), R255 (≠ D208), K256 (≠ R209), T259 (≠ V212), A282 (= A233), T283 (≠ S234), H284 (= H235), N285 (≠ D236), Q308 (= Q260), C309 (≠ M261), L310 (= L262), E353 (= E300), S359 (≠ T306)

8dkoB Minimal puta proline dehydrogenase domain (design #1) complexed with s-(-)-tetrahydro-2-furoic acid (see paper)
27% identity, 87% coverage: 36:310/315 of query aligns to 60:369/393 of 8dkoB

query
sites
8dkoB

E

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binding flavin-adenine dinucleotide: D173 (= D142), A174 (= A143), V205 (= V169), Q207 (= Q171), R234 (= R192), V236 (≠ C194), K237 (= K195), G238 (= G196), A239 (= A197), Y240 (= Y198), W241 (vs. gap), F259 (= F206), T260 (= T207), R261 (≠ D208), K262 (≠ R209), T265 (≠ V212), A288 (= A233), T289 (≠ S234), H290 (= H235), N291 (≠ D236), C315 (≠ M261), L316 (= L262), E359 (= E300), S365 (≠ T306), F366 (= F307)
binding tetrahydrofuran-2-carboxylic acid: K132 (= K105), D173 (= D142), Y340 (= Y283), R355 (= R296), R356 (= R297)

Query Sequence

>WP_076476549.1 NCBI__GCF_900156495.1:WP_076476549.1
MGFFDTALRPGILAAGRSDRLKVASSRTSMTRNVVERFVPGETEADVLAATEKLLGQGLM
VSIDHLGEDTTDERQATATTEAYHHLIGALGTLGAAPNSLEVSLKLSALGQALPRHGTKI
ATENAMAICDDAQRHGVLVTVDAEDHASTAERLDIVRTVRTDFPTLGTVLQAYLRRTEDD
CTEFSGPGSRIRLCKGAYAESPAVAFTDRAAVDEAYQRCLRILMCGSGYPMIASHDPVMI
ESARVLATETRRLPDSWEHQMLYGIRTDEQRRLAEAGGAVRVYLPFGAEWYGYFVRRLAE
RPANLTFFARALVGR

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