SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_018124244.1 NCBI__GCF_000375485.1:WP_018124244.1 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)

G3XD01 UDP-2-acetamido-3-amino-2,3-dideoxy-D-glucuronate N-acetyltransferase; UDP-D-GlcNAc3NA N-acetyltransferase; UDP-2-acetamido-3-amino-2,3-dideoxy-alpha-D-glucuronic acid 3-N-acetyltransferase; EC 2.3.1.201 from Pseudomonas aeruginosa (strain ATCC 15692 / DSM 22644 / CIP 104116 / JCM 14847 / LMG 12228 / 1C / PRS 101 / PAO1) (see paper)
59% identity, 32% coverage: 340:508/528 of query aligns to 4:173/191 of G3XD01

query
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G3XD01

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K136 (≠ R472) mutation to A: Reduction in catalytic activity.; mutation to R: No effect on catalytic activity.

3mqhA Crystal structure of the 3-n-acetyl transferase wlbb from bordetella petrii in complex with coa and udp-3-amino-2-acetamido-2,3-dideoxy glucuronic acid (see paper)
60% identity, 31% coverage: 341:505/528 of query aligns to 5:175/191 of 3mqhA

query
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3mqhA

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binding coenzyme a: F76 (= F412), T84 (= T420), N85 (= N421), V86 (= V422), Y87 (≠ H423), P89 (= P425), G111 (= G447), A112 (= A448), A130 (= A466), N135 (≠ T471), V145 (≠ L481), P148 (= P484), R150 (= R486), Q161 (≠ R497)
binding (2S,3S,4R,5R,6R)-5-(acetylamino)-4-amino-6-{[(R)-{[(R)-{[(2R,3S,4R,5R)-5-(2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)-3,4-dihydroxytetrahydrofuran-2-yl]methoxy}(hydroxy)phosphoryl]oxy}(hydroxy)phosphoryl]oxy}-3-hydroxytetrahydro-2H-pyran-2-carboxylic acid: W24 (= W360), H28 (= H364), F46 (≠ V382), Q60 (= Q396), N61 (= N397), Y66 (= Y402), F76 (= F412), N85 (= N421), V86 (= V422), R95 (= R431), Y99 (≠ V435)

3mqgC Crystal structure of the 3-n-acetyl transferase wlbb from bordetella petrii in complex with acetyl-coa (see paper)
60% identity, 31% coverage: 341:505/528 of query aligns to 6:176/192 of 3mqgC

query
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binding acetyl coenzyme *a: Y67 (= Y402), F77 (= F412), P80 (= P415), T85 (= T420), N86 (= N421), V87 (= V422), Y88 (≠ H423), P90 (= P425), G112 (= G447), A113 (= A448), F128 (= F463), G130 (= G465), A131 (= A466), N136 (≠ T471), V146 (≠ L481), P149 (= P484), R151 (= R486), Q162 (≠ R497)
binding uridine-5'-monophosphate: H29 (= H364), F47 (≠ V382)
binding uridine-5'-diphosphate: W25 (= W360), S41 (≠ K376), N62 (= N397)

4mzuF Crystal structure of fdtd, a bifunctional ketoisomerase/n- acetyltransferase from shewanella denitrificans (see paper)
43% identity, 27% coverage: 352:491/528 of query aligns to 12:144/294 of 4mzuF

query
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4mzuF

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binding coenzyme a: N81 (= N421), D82 (≠ V422), K83 (≠ H423), G100 (= G447), A101 (= A448), L106 (≠ V453), G118 (= G465), A119 (= A466), T124 (= T471), K125 (≠ R472), I134 (≠ L481), N136 (= N483), R139 (= R486)
binding thymine: W20 (= W360), Q21 (≠ H361), C38 (≠ G378)

Sites not aligning to the query:

binding thymidine-5'-diphosphate: 189, 203, 205, 270

4mzuB Crystal structure of fdtd, a bifunctional ketoisomerase/n- acetyltransferase from shewanella denitrificans (see paper)
43% identity, 27% coverage: 352:491/528 of query aligns to 12:143/290 of 4mzuB

query
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4mzuB

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binding coenzyme a: F72 (= F412), T80 (= T420), N81 (= N421), D82 (≠ V422), K83 (≠ H423), P85 (= P425), G99 (= G447), A100 (= A448), G117 (= G465), A118 (= A466), T123 (= T471), K124 (≠ R472), I133 (≠ L481), R138 (= R486)
binding magnesium ion: G58 (≠ N398), N76 (≠ S416)
binding thymine: W20 (= W360), Q21 (≠ H361), C38 (≠ G378), A39 (≠ Q379)

Sites not aligning to the query:

binding coenzyme a: 199
binding thymidine-5'-diphosphate: 171, 176, 189, 191, 202, 203, 270

7s45A Crystal structure of an n-acetyltransferase, c80t mutant, from helicobacter pullorum in the presence of acetyl coenzyme a and dtdp (see paper)
42% identity, 24% coverage: 353:477/528 of query aligns to 15:134/141 of 7s45A

query
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7s45A

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binding acetyl coenzyme *a: W64 (≠ Y402), T82 (= T420), N83 (= N421), D84 (≠ V422), K85 (≠ H423), Y86 (≠ N424), P87 (= P425), L110 (≠ V453), T128 (= T471), K129 (≠ R472)
binding thymidine-5'-diphosphate: F44 (≠ V382), E46 (≠ G384)

7s42A Crystal structure of an n-acetyltransferase from helicobacter pullorum in the presence of coenzyme a and dtdp-3-acetamido-3,6-dideoxy-d- galactose (see paper)
40% identity, 24% coverage: 353:477/528 of query aligns to 15:138/145 of 7s42A

query
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7s42A

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G

R

E

N

N

A

A

F

M

V

I

G

G

A

A

G

G

A

A

V

I

V

V

T
|
T

R
x
K

S

D

V

V

P

L

D

P

H

H

binding [(2~{R},3~{R},4~{S},5~{R},6~{R})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate: F44 (≠ V382), E46 (≠ G384), W64 (≠ Y402), N83 (= N421), D84 (≠ V422), Y92 (≠ T429)
binding coenzyme a: C82 (≠ T420), D84 (≠ V422), K85 (≠ H423), Y86 (≠ N424), P87 (= P425), L114 (≠ V453), T132 (= T471), K133 (≠ R472)

7s41A Crystal structure of an n-acetyltransferase from helicobacter pullorum in the presence of coenzyme a and dtdp-3-acetamido-3,6-dideoxy-d- glucose (see paper)
40% identity, 24% coverage: 353:477/528 of query aligns to 15:138/145 of 7s41A

query
sites
7s41A

V

I

G

G

K

S

G

G

S

T

S

R

I

I

W

W

H

Q

F

F

S

C

H

V

L

V

L

L

P

P

G

S

T

A

E

I

L

I

G

G

R

E

N

N

C

C

K

N

V

I

G

C

Q

S

N

H

V

C

V
x
F

I

I

G
x
E

P

N

D

D

V

V

S

K

M

I

G

G

H

N

G

N

C

V

K

T

I

I

Q

K

N

C

N

G

V

V

S

Q

V

I

Y
x
W

K

D

G

G

V

I

T

E

L

I

E

E

D

D

V

V

F

F

C

I

G

G

P

P

S

N

M

V

V

T

F

F

T
x
C

N
|
N

V
x
D

H
x
K

N
x
Y

P
|
P

R

R

S

S

-

K

H

Q

T
x
Y

P

P

R

K

M

-

D

-

Q

E

V

F

R

S

E

K

T

T

L

I

V

I

R

K

T

K

G

G

A

A

T

S

L

I

G

G

A

A

N

N

C

A

T

T

V

I

V
x
L

C

P

G

G

V

I

T

T

I

I

G

G

R

E

N

N

A

A

F

M

V

I

G

G

A

A

G

G

A

A

V

I

V

V

T
|
T

R
x
K

S

D

V

V

P

L

D

P

H

H

binding [(2~{R},3~{R},4~{S},5~{S},6~{R})-4-acetamido-6-methyl-3,5-bis(oxidanyl)oxan-2-yl] [[(2~{R},3~{S},5~{R})-5-[5-methyl-2,4-bis(oxidanylidene)pyrimidin-1-yl]-3-oxidanyl-oxolan-2-yl]methoxy-oxidanyl-phosphoryl] hydrogen phosphate : F44 (≠ V382), E46 (≠ G384), W64 (≠ Y402), N83 (= N421), D84 (≠ V422), Y92 (≠ T429)
binding coenzyme a: C82 (≠ T420), D84 (≠ V422), K85 (≠ H423), Y86 (≠ N424), P87 (= P425), L114 (≠ V453), T132 (= T471), K133 (≠ R472)

7s3wA Crystal structure of an n-acetyltransferase from helicobacter pullorum in the presence of coenzyme a and dtdp-3-amino-3,6-dideoxy-d- galactose (see paper)
40% identity, 24% coverage: 353:477/528 of query aligns to 15:138/145 of 7s3wA

query
sites
7s3wA

V

I

G

G

K

S

G

G

S

T

S

R

I

I

W

W

H

Q

F

F

S

C

H

V

L

V

L

L

P

P

G

S

T

A

E

I

L

I

G

G

R

E

N

N

C

C

K

N

V

I

G

C

Q

S

N

H

V

C

V
x
F

I

I

G
x
E

P

N

D

D

V

V

S

K

M

I

G

G

H

N

G

N

C

V

K

T

I

I

Q

K

N

C

N

G

V

V

S

Q

V

I

Y

W

K

D

G

G

V

I

T

E

L

I

E

E

D

D

V

V

F

F

C

I

G

G

P

P

S

N

M

V

V

T

F

F

T
x
C

N

N

V
x
D

H
x
K

N
x
Y

P
|
P

R

R

S

S

-

K

H

Q

T
x
Y

P

P

R

K

M

-

D

-

Q

E

V

F

R

S

E

K

T

T

L

I

V

I

R

K

T

K

G

G

A

A

T

S

L

I

G

G

A

A

N

N

C

A

T

T

V

I

V
x
L

C

P

G

G

V

I

T

T

I

I

G

G

R

E

N

N

A

A

F

M

V

I

G

G

A

A

G

G

A

A

V

I

V

V

T
|
T

R
x
K

S

D

V

V

P

L

D

P

H

H

binding oxidized coenzyme a: C82 (≠ T420), D84 (≠ V422), K85 (≠ H423), Y86 (≠ N424), P87 (= P425), L114 (≠ V453), T132 (= T471), K133 (≠ R472)
binding (3R,4S,5R,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate: F44 (≠ V382), E46 (≠ G384), D84 (≠ V422), Y92 (≠ T429)

7s3uA Crystal structure of an n-acetyltransferase from helicobacter pullorum in the presence of coenzyme a and dtdp-3-amino-3,6-dideoxy-d-glucose (see paper)
40% identity, 24% coverage: 353:477/528 of query aligns to 15:138/145 of 7s3uA

query
sites
7s3uA

V

I

G

G

K

S

G

G

S

T

S

R

I

I

W

W

H

Q

F

F

S

C

H

V

L

V

L

L

P

P

G

S

T

A

E

I

L

I

G

G

R

E

N

N

C

C

K

N

V

I

G

C

Q

S

N

H

V

C

V
x
F

I

I

G
x
E

P

N

D

D

V

V

S

K

M

I

G

G

H

N

G

N

C

V

K

T

I

I

Q

K

N

C

N

G

V

V

S

Q

V

I

Y

W

K

D

G

G

V

I

T

E

L

I

E

E

D

D

V

V

F

F

C

I

G

G

P

P

S

N

M

V

V

T

F

F

T
x
C

N
|
N

V
x
D

H
x
K

N
x
Y

P
|
P

R

R

S

S

-

K

H

Q

T
x
Y

P

P

R

K

M

-

D

-

Q

E

V

F

R

S

E

K

T

T

L

I

V

I

R

K

T

K

G

G

A

A

T

S

L

I

G

G

A

A

N

N

C

A

T

T

V

I

V
x
L

C

P

G

G

V

I

T

T

I

I

G

G

R

E

N

N

A

A

F

M

V

I

G

G

A

A

G

G

A

A

V

I

V

V

T
|
T

R
x
K

S

D

V

V

P

L

D

P

H

H

binding coenzyme a: C82 (≠ T420), N83 (= N421), D84 (≠ V422), K85 (≠ H423), Y86 (≠ N424), P87 (= P425), L114 (≠ V453), T132 (= T471), K133 (≠ R472)
binding [(3R,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl][hydroxy-[[(2R,3S,5R)-3-hydroxy-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]phosphoryl] hydrogen phosphate: F44 (≠ V382), E46 (≠ G384), D84 (≠ V422), Y92 (≠ T429)

5a06A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with sorbitol (see paper)
24% identity, 62% coverage: 3:327/528 of query aligns to 4:336/336 of 5a06A

query
sites
5a06A

I

L

S

G

V

Y

A

A

V

I

I

L

G

G

A
x
L

G
|
G

H
x
Y

W
x
Y

G

A

K

T

N

R

L

I

V

I

R

M

N

P

F

R

H

F

S

A

L

E

-

C

-

E

-

H

G

S

A

R

L

L

D

A

V

A

I

L

C

V

D
x
S

A
x
G

N
x
T

E

P

E

E

A
x
K

L

L

K

K

T

T

F

Y

A

G

E

E

Q

Q

Y

Y

P

G

G

I

V

P

E

E

T

T

-

H

-

R

-

Y

-

S

S
x
Y

V

E

A

T

L

F

S

D

H

R

V

I

L

I

R

D

R

N

P

P

S

D

V

V

D
|
D

A

I

V

V

V

Y

I

V

A
x
I

T
|
T

P
|
P

A
x
N

E

S

T
x
L

H
|
H

A

R

S

P

I

F

A

T

R

E

E

R

A

A

L

A

L

R

A

A

G

G

K

K

H
|
H

V

V

F

M

V

C

E
|
E

K
|
K

P

P

L

M

A

A

L

N

D

T

V

V

A

A

E

D

A

C

R

E

D

A

L

M

T

I

R

A

L

A

A

C

R

K

D

K

K

A

G

G

L
x
R

V

K

L
|
L

M

M

V

I

G

G

H

Y

L
x
R

L

S

Q

R

Y

F

H

Q

P

A

A

H

F

N

L

I

K

E

T

A

L

I

A

K

M

L

A

V

R

R

S

D

G

G

E

A

L

L

G

G

R

P

I

V

D

R

Y

T

V

V

Y

V

S

T

N

D

-

H

-

G

-
x
F

-

T

-

I

-

G

-

D

-

P

-

K

-

Q

-
x
W

R
|
R

L

L

N

N

L

R

G

A

M

L

I

A

R

-

Q

G

E

G

N

G

S

S

L

L

W

M

S
x
D

F

I

A

G

P

I

H
x
Y

D

S

V

L

S

N

M

A

V

A

L

R

S

Y

L

L

M

T

Q

G

E

E

P

P

E

V

E

A

V

V

L

N

C

A

Q

V

G

E

G

S

C

T

-

D

-

R

-

S

-

D

Y

P

L

R

H

F

S

G

K

E

I

V

A

E

D

D

V

I

T

I

V

N

S

F

M

Q

L

L

R

L

F

F

P

P

S

S

G

G

A

A

Q

T

A

A

H

N

F

C

F

V

V

S

S

A

W

Y

L

-

H

-

P

S

F

V

K

N

E

C

Q

N

K

R

L

Y

V

R

V

V

V

S

G

G

D

P

R

K

G

G

M

W

L

V

V

E

F

I

D

D

D

P

G

A

Q

T

P

S

W
x
Y

E

Q

S

G

K

Q

L

-

V

-

L

-

Y

-

P

-

H

-

A

A

I

M

R

R

W

A

E

Q

-

L

G

G

A

G

V

P

P

P

V

A

P

P

D

-

K

-

A

-

E

-

G

-

Q

R

N

E

I

P

A

A

V

P

E

Q

P

P

E
x
K

E

N

P

Q

L

F

R

S

Q

A

E

Q

C

L

L

D

H
|
H

F

L

L

S

E
|
E

C

C

I

I

R

L

D

T

G

G

A

R

V
x
E

P

P

R

I

T

V

D
x
G

G
|
G

H

D

E

D

G

G

V

L

R

K

V

D

L

L

R

R

V

V

L

I

K

E

A

A

S

I

Q

Y

R

R

S

A

M

A

D

R

T

E

R

G

Q

R

P

T

V

V

S

K

L

L

active site: K101 (= K93), Y186 (≠ H169)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L11 (≠ A10), G12 (= G11), Y13 (≠ H12), Y14 (≠ W13), S36 (≠ D32), G37 (≠ A33), T38 (≠ N34), K41 (≠ A37), Y59 (≠ S51), I77 (≠ A69), T78 (= T70), P79 (= P71), N80 (≠ A72), L82 (≠ T74), H83 (= H75), E100 (= E92), K101 (= K93), R129 (≠ L121), W168 (vs. gap), R169 (= R150), Y186 (≠ H169), Y264 (≠ W245)
binding sorbitol: D72 (= D64), H96 (= H88), K101 (= K93), R122 (≠ L114), R122 (≠ L114), L124 (= L116), F160 (vs. gap), R169 (= R150), D182 (≠ S165), Y186 (≠ H169), K287 (≠ E278), H296 (= H287), E299 (= E290), E306 (≠ V297), G310 (≠ D301), G311 (= G302)

Sites not aligning to the query:

binding sorbitol: 2

5a03C Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with xylose (see paper)
24% identity, 62% coverage: 3:327/528 of query aligns to 4:336/336 of 5a03C

query
sites
5a03C

I

L

S

G

V

Y

A

A

V

I

I

L

G
|
G

A
x
L

G
|
G

H
x
Y

W
x
Y

G

A

K

T

N

R

L

I

V

I

R

M

N

P

F

R

H

F

S

A

L

E

-

C

-

E

-

H

G

S

A

R

L

L

D

A

V

A

I

L

C

V

D
x
S

A
x
G

N
x
T

E

P

E

E

A
x
K

L

L

K

K

T

T

F

Y

A

G

E

E

Q

Q

Y

Y

P

G

G

I

V

P

E

E

T

T

-

H

-

R

-

Y

-

S

S
x
Y

V

E

A

T

L

F

S

D

H

R

V

I

L

I

R

D

R

N

P

P

S

D

V

V

D

D

A

I

V

V

V

Y

I

V

A
x
I

T
|
T

P
|
P

A
x
N

E

S

T
x
L

H
|
H

A

R

S

P

I

F

A

T

R

E

E

R

A

A

L

A

L

R

A

A

G

G

K

K

H

H

V

V

F

M

V

C

E
|
E

K
|
K

P

P

L

M

A

A

L

N

D

T

V

V

A

A

E

D

A

C

R

E

D

A

L

M

T

I

R

A

L

A

A

C

R

K

D

K

K

A

G

G

L

R

V

K

L

L

M

M

V

I

G

G

H

Y

L
x
R

L

S

Q

R

Y

F

H

Q

P

A

A

H

F

N

L

I

K

E

T

A

L

I

A

K

M

L

A

V

R

R

S

D

G

G

E

A

L

L

G

G

R

P

I

V

D

R

Y

T

V

V

Y

V

S

T

N

D

-

H

-

G

-
x
F

-

T

-

I

-

G

-

D

-

P

-

K

-

Q

-
x
W

R
|
R

L

L

N

N

L

R

G

A

M

L

I

A

R

-

Q

G

E

G

N

G

S

S

L

L

W

M

S
x
D

F

I

A

G

P

I

H
x
Y

D

S

V

L

S

N

M

A

V

A

L

R

S

Y

L

L

M

T

Q

G

E

E

P

P

E

V

E

A

V

V

L

N

C

A

Q

V

G

E

G

S

C

T

-

D

-

R

-

S

-

D

Y

P

L

R

H

F

S

G

K

E

I

V

A

E

D

D

V

I

T

I

V

N

S

F

M

Q

L

L

R

L

F

F

P

P

S

S

G

G

A

A

Q

T

A

A

H

N

F

C

F

V

V

S

S

A

W

Y

L

-

H

-

P

S

F

V

K

N

E

C

Q

N

K

R

L

Y

V

R

V

V

V

S

G

G

D

P

R

K

G

G

M

W

L

V

V

E

F

I

D

D

D

P

G

A

Q

T

P

S

W
x
Y

E

Q

S

G

K

Q

L

-

V

-

L

-

Y

-

P

-

H

-

A

A

I

M

R

R

W

A

E

Q

-

L

G

G

A

G

V

P

P

P

V

A

P

P

D

-

K

-

A

-

E

-

G

-

Q

R

N

E

I

P

A

A

V

P

E

Q

P

P

E

K

E

N

P

Q

L

F

R

S

Q

A

E

Q

C

L

L

D

H

H

F

L

L

S

E

E

C

C

I

I

R

L

D

T

G

G

A

R

V

E

P

P

R

I

T

V

D

G

G

G

H

D

E

D

G

G

V

L

R

K

V

D

L

L

R

R

V

V

L

I

K

E

A

A

S

I

Q

Y

R

R

S

A

M

A

D

R

T

E

R

G

Q

R

P

T

V

V

S

K

L

L

active site: K101 (= K93), Y186 (≠ H169)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G10 (= G9), L11 (≠ A10), G12 (= G11), Y13 (≠ H12), Y14 (≠ W13), S36 (≠ D32), G37 (≠ A33), T38 (≠ N34), K41 (≠ A37), Y59 (≠ S51), I77 (≠ A69), T78 (= T70), P79 (= P71), N80 (≠ A72), L82 (≠ T74), H83 (= H75), E100 (= E92), K101 (= K93), R129 (≠ L121), W168 (vs. gap), R169 (= R150), Y186 (≠ H169), Y264 (≠ W245)
binding beta-D-xylopyranose: K101 (= K93), F160 (vs. gap), R169 (= R150), D182 (≠ S165), Y186 (≠ H169)

5a05A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with maltotriose (see paper)
24% identity, 62% coverage: 3:327/528 of query aligns to 3:335/335 of 5a05A

query
sites
5a05A

I

L

S

G

V

Y

A

A

V

I

I

L

G
|
G

A
x
L

G
|
G

H
x
Y

W
x
Y

G

A

K

T

N

R

L

I

V

I

R

M

N

P

F

R

H

F

S

A

L

E

-

C

-

E

-

H

G

S

A

R

L

L

D

A

V

A

I

L

C

V

D
x
S

A
x
G

N
x
T

E

P

E

E

A
x
K

L

L

K

K

T

T

F

Y

A

G

E

E

Q

Q

Y

Y

P

G

G

I

V

P

E

E

T

T

-

H

-

R

-

Y

-

S

S
x
Y

V

E

A

T

L

F

S

D

H

R

V

I

L

I

R

D

R

N

P

P

S

D

V

V

D

D

A

I

V

V

V

Y

I

V

A
x
I

T
|
T

P
|
P

A
x
N

E

S

T
x
L

H
|
H

A

R

S

P

I

F

A

T

R

E

E

R

A

A

L

A

L

R

A

A

G

G

K

K

H

H

V

V

F

M

V

C

E
|
E

K
|
K

P

P

L

M

A

A

L

N

D

T

V

V

A

A

E

D

A

C

R

E

D

A

L

M

T

I

R

A

L

A

A

C

R

K

D

K

K

A

G

G

L

R

V

K

L

L

M

M

V

I

G

G

H

Y

L
x
R

L

S

Q

R

Y

F

H

Q

P

A

A

H

F

N

L

I

K

E

T

A

L

I

A

K

M

L

A

V

R

R

S

D

G

G

E

A

L

L

G

G

R

P

I

V

D

R

Y

T

V

V

Y

V

S

T

N

D

-

H

-

G

-
x
F

-

T

-

I

-

G

-

D

-

P

-

K

-

Q

-
x
W

R
|
R

L

L

N

N

L

R

G

A

M

L

I

A

R

-

Q

G

E

G

N

G

S

S

L

L

W

M

S
x
D

F

I

A

G

P

I

H
x
Y

D

S

V

L

S

N

M

A

V

A

L

R

S

Y

L

L

M

T

Q

G

E

E

P

P

E

V

E

A

V

V

L

N

C

A

Q

V

G

E

G

S

C

T

-

D

-

R

-

S

-

D

Y

P

L

R

H

F

S

G

K

E

I

V

A

E

D

D

V

I

T

I

V

N

S

F

M

Q

L

L

R

L

F

F

P

P

S

S

G

G

A

A

Q

T

A

A

H

N

F

C

F

V

V

S

S

A

W

Y

L

-

H

-

P

S

F

V

K

N

E

C

Q

N

K

R

L

Y

V

R

V

V

V

S

G

G

D

P

R

K

G

G

M

W

L

V

V

E

F

I

D

D

D
x
P

G

A

Q

T

P
x
S

W
x
Y

E

Q

S

G

K

Q

L

-

V

-

L

-

Y

-

P

-

H

-

A

A

I

M

R

R

W

A

E

Q

-

L

G

G

A

G

V

P

P

P

V

A

P

P

D

-

K

-

A

-

E

-

G

-

Q

R

N

E

I

P

A

A

V

P

E

Q

P

P

E

K

E

N

P

Q

L

F

R

S

Q

A

E

Q

C

L

L

D

H

H

F

L

L

S

E

E

C

C

I

I

R

L

D

T

G

G

A

R

V

E

P

P

R

I

T

V

D

G

G

G

H

D

E

D

G

G

V

L

R

K

V

D

L

L

R

R

V

V

L

I

K

E

A

A

S

I

Q

Y

R

R

S

A

M

A

D

R

T

E

R

G

Q

R

P

T

V

V

S

K

L

L

active site: K100 (= K93), Y185 (≠ H169)
binding beta-D-glucopyranose: K100 (= K93), F159 (vs. gap), D181 (≠ S165), Y185 (≠ H169)
binding alpha-D-glucopyranose: P259 (≠ D241), S262 (≠ P244)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G9), L10 (≠ A10), G11 (= G11), Y12 (≠ H12), Y13 (≠ W13), S35 (≠ D32), G36 (≠ A33), T37 (≠ N34), K40 (≠ A37), Y58 (≠ S51), I76 (≠ A69), T77 (= T70), P78 (= P71), N79 (≠ A72), L81 (≠ T74), H82 (= H75), E99 (= E92), K100 (= K93), R128 (≠ L121), W167 (vs. gap), R168 (= R150), Y185 (≠ H169), Y263 (≠ W245)

5a04A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with glucose (see paper)
24% identity, 62% coverage: 3:327/528 of query aligns to 3:335/335 of 5a04A

query
sites
5a04A

I

L

S

G

V

Y

A

A

V

I

I

L

G

G

A
x
L

G
|
G

H
x
Y

W
x
Y

G

A

K

T

N

R

L

I

V

I

R

M

N

P

F

R

H

F

S

A

L

E

-

C

-

E

-

H

G

S

A

R

L

L

D

A

V

A

I

L

C

V

D
x
S

A
x
G

N
x
T

E

P

E

E

A
x
K

L

L

K

K

T

T

F

Y

A

G

E

E

Q

Q

Y

Y

P

G

G

I

V

P

E

E

T

T

-

H

-

R

-

Y

-

S

S
x
Y

V

E

A

T

L

F

S

D

H

R

V

I

L

I

R

D

R

N

P

P

S

D

V

V

D

D

A

I

V

V

V

Y

I

V

A
x
I

T
|
T

P
|
P

A
x
N

E

S

T
x
L

H
|
H

A

R

S

P

I

F

A

T

R

E

E

R

A

A

L

A

L

R

A

A

G

G

K

K

H

H

V

V

F

M

V

C

E
|
E

K
|
K

P

P

L

M

A

A

L

N

D

T

V

V

A

A

E

D

A

C

R

E

D

A

L

M

T

I

R

A

L

A

A

C

R

K

D

K

K

A

G

G

L

R

V

K

L

L

M

M

V

I

G

G

H

Y

L
x
R

L

S

Q

R

Y

F

H

Q

P

A

A

H

F

N

L

I

K

E

T

A

L

I

A

K

M

L

A

V

R

R

S

D

G

G

E

A

L

L

G

G

R

P

I

V

D

R

Y

T

V

V

Y

V

S

T

N

D

-

H

-

G

-
x
F

-

T

-

I

-

G

-

D

-

P

-

K

-

Q

-
x
W

R
|
R

L

L

N

N

L

R

G

A

M

L

I

A

R

-

Q

G

E

G

N

G

S

S

L

L

W

M

S
x
D

F

I

A

G

P

I

H
x
Y

D

S

V

L

S

N

M

A

V

A

L

R

S

Y

L

L

M

T

Q

G

E

E

P

P

E

V

E

A

V

V

L

N

C

A

Q

V

G

E

G

S

C

T

-

D

-

R

-

S

-

D

Y

P

L

R

H

F

S

G

K

E

I

V

A

E

D

D

V

I

T

I

V

N

S

F

M

Q

L

L

R

L

F

F

P

P

S

S

G

G

A

A

Q

T

A

A

H

N

F

C

F

V

V

S

S

A

W

Y

L

-

H

-

P

S

F

V

K

N

E

C

Q

N

K

R

L

Y

V

R

V

V

V

S

G

G

D

P

R

K

G

G

M

W

L

V

V

E

F

I

D

D

D

P

G

A

Q

T

P

S

W
x
Y

E

Q

S

G

K

Q

L

-

V

-

L

-

Y

-

P

-

H

-

A

A

I

M

R

R

W

A

E

Q

-

L

G

G

A

G

V

P

P

P

V

A

P

P

D

-

K

-

A

-

E

-

G

-

Q

R

N

E

I

P

A

A

V

P

E

Q

P

P

E

K

E

N

P

Q

L

F

R

S

Q

A

E

Q

C

L

L

D

H

H

F

L

L

S

E

E

C

C

I

I

R

L

D

T

G

G

A

R

V

E

P

P

R

I

T

V

D

G

G

G

H

D

E

D

G

G

V

L

R

K

V

D

L

L

R

R

V

V

L

I

K

E

A

A

S

I

Q

Y

R

R

S

A

M

A

D

R

T

E

R

G

Q

R

P

T

V

V

S

K

L

L

active site: K100 (= K93), Y185 (≠ H169)
binding beta-D-glucopyranose: K100 (= K93), F159 (vs. gap), R168 (= R150), D181 (≠ S165), Y185 (≠ H169)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: L10 (≠ A10), G11 (= G11), Y12 (≠ H12), Y13 (≠ W13), S35 (≠ D32), G36 (≠ A33), T37 (≠ N34), K40 (≠ A37), Y58 (≠ S51), I76 (≠ A69), T77 (= T70), P78 (= P71), N79 (≠ A72), L81 (≠ T74), H82 (= H75), E99 (= E92), K100 (= K93), R128 (≠ L121), W167 (vs. gap), R168 (= R150), Y185 (≠ H169), Y263 (≠ W245)

5a03E Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with xylose (see paper)
24% identity, 62% coverage: 3:327/528 of query aligns to 3:335/335 of 5a03E

query
sites
5a03E

I

L

S

G

V

Y

A

A

V

I

I

L

G
|
G

A
x
L

G
|
G

H
x
Y

W
x
Y

G

A

K

T

N

R

L

I

V

I

R

M

N

P

F

R

H

F

S

A

L

E

-

C

-

E

-

H

G

S

A

R

L

L

D

A

V

A

I

L

C

V

D
x
S

A
x
G

N
x
T

E

P

E

E

A
x
K

L

L

K

K

T

T

F

Y

A

G

E

E

Q

Q

Y

Y

P

G

G

I

V

P

E

E

T

T

-

H

-

R

-

Y

-

S

S
x
Y

V

E

A

T

L

F

S

D

H

R

V

I

L

I

R

D

R

N

P

P

S

D

V

V

D

D

A

I

V

V

V

Y

I

V

A
x
I

T
|
T

P
|
P

A
x
N

E

S

T

L

H
|
H

A

R

S

P

I

F

A

T

R

E

E

R

A

A

L

A

L

R

A

A

G

G

K

K

H

H

V

V

F

M

V

C

E
|
E

K
|
K

P

P

L

M

A

A

L

N

D

T

V

V

A

A

E

D

A

C

R

E

D

A

L

M

T

I

R

A

L

A

A

C

R

K

D

K

K

A

G

G

L

R

V

K

L

L

M

M

V

I

G

G

H

Y

L
x
R

L

S

Q

R

Y

F

H

Q

P

A

A
x
H

F

N

L

I

K

E

T

A

L

I

A

K

M

L

A

V

R

R

S

D

G

G

E

A

L

L

G

G

R

P

I

V

D

R

Y

T

V

V

Y

V

S

T

N

D

-

H

-

G

-
x
F

-

T

-

I

-

G

-

D

-

P

-

K

-

Q

-
x
W

R
|
R

L

L

N

N

L

R

G

A

M

L

I

A

R

-

Q

G

E

G

N

G

S

S

L

L

W

M

S
x
D

F

I

A

G

P

I

H
x
Y

D

S

V

L

S

N

M

A

V

A

L

R

S

Y

L

L

M

T

Q

G

E

E

P

P

E

V

E

A

V

V

L

N

C

A

Q

V

G
x
E

G

S

C
x
T

-

D

-
x
R

-

S

-

D

Y

P

L

R

H

F

S

G

K

E

I

V

A

E

D

D

V

I

T

I

V

N

S

F

M

Q

L

L

R

L

F

F

P

P

S

S

G

G

A

A

Q

T

A

A

H

N

F

C

F

V

V

S

S

A

W

Y

L

-

H

-

P

S

F

V

K

N

E

C

Q

N

K

R

L

Y

V

R

V

V

V

S

G

G

D

P

R

K

G

G

M

W

L

V

V

E

F

I

D

D

D

P

G

A

Q

T

P

S

W
x
Y

E

Q

S

G

K

Q

L

-

V

-

L

-

Y

-

P

-

H

-

A

A

I
x
M

R

R

W

A

E

Q

-

L

G

G

A

G

V

P

P

P

V

A

P

P

D

-

K

-

A

-

E

-

G

-

Q
x
R

N
x
E

I

P

A

A

V

P

E

Q

P

P

E

K

E

N

P

Q

L

F

R

S

Q

A

E

Q

C

L

L

D

H

H

F

L

L

S

E

E

C

C

I

I

R

L

D

T

G

G

A

R

V

E

P

P

R

I

T

V

D

G

G

G

H

D

E

D

G

G

V

L

R

K

V

D

L

L

R

R

V

V

L

I

K

E

A

A

S

I

Q

Y

R

R

S

A

M

A

D

R

T

E

R

G

Q

R

P

T

V

V

S

K

L

L

active site: K100 (= K93), Y185 (≠ H169)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G9), L10 (≠ A10), G11 (= G11), Y12 (≠ H12), Y13 (≠ W13), S35 (≠ D32), G36 (≠ A33), T37 (≠ N34), K40 (≠ A37), Y58 (≠ S51), I76 (≠ A69), T77 (= T70), P78 (= P71), N79 (≠ A72), H82 (= H75), E99 (= E92), K100 (= K93), R128 (≠ L121), W167 (vs. gap), R168 (= R150), Y185 (≠ H169), Y263 (≠ W245)
binding beta-D-xylopyranose: K100 (= K93), F159 (vs. gap), R168 (= R150), D181 (≠ S165), Y185 (≠ H169), E205 (≠ G189), T207 (≠ C191), R209 (vs. gap)
binding alpha-D-xylopyranose: H134 (≠ A127), M268 (≠ I256), R279 (≠ Q271), E280 (≠ N272)

5a02A Crystal structure of aldose-aldose oxidoreductase from caulobacter crescentus complexed with glycerol (see paper)
24% identity, 62% coverage: 3:327/528 of query aligns to 3:335/335 of 5a02A

query
sites
5a02A

I

L

S

G

V

Y

A

A

V

I

I

L

G

G

A
x
L

G
|
G

H
x
Y

W
x
Y

G

A

K

T

N

R

L

I

V

I

R

M

N

P

F

R

H

F

S

A

L

E

-

C

-

E

-

H

G

S

A

R

L

L

D

A

V

A

I

L

C

V

D
x
S

A
x
G

N
x
T

E

P

E

E

A
x
K

L

L

K

K

T

T

F

Y

A

G

E

E

Q

Q

Y

Y

P

G

G

I

V

P

E

E

T

T

-

H

-

R

-

Y

-

S

S
x
Y

V

E

A

T

L

F

S

D

H

R

V

I

L

I

R

D

R

N

P

P

S

D

V

V

D

D

A

I

V

V

V

Y

I

V

A
x
I

T
|
T

P
|
P

A

N

E

S

T
x
L

H
|
H

A

R

S

P

I

F

A

T

R

E

E

R

A

A

L

A

L

R

A

A

G

G

K

K

H

H

V

V

F

M

V

C

E
|
E

K
|
K

P

P

L

M

A

A

L

N

D

T

V

V

A

A

E

D

A

C

R

E

D

A

L

M

T

I

R

A

L

A

A

C

R

K

D

K

K

A

G

G

L

R

V

K

L

L

M

M

V

I

G

G

H

Y

L
x
R

L

S

Q

R

Y

F

H

Q

P

A

A

H

F

N

L

I

K

E

T

A

L

I

A

K

M

L

A

V

R

R

S

D

G

G

E

A

L

L

G

G

R

P

I

V

D

R

Y

T

V

V

Y

V

S

T

N

D

-

H

-

G

-

F

-

T

-

I

-

G

-

D

-

P

-

K

-

Q

-
x
W

R
|
R

L

L

N

N

L

R

G

A

M

L

I

A

R

-

Q

G

E

G

N

G

S

S

L

L

W

M

S

D

F

I

A

G

P

I

H
x
Y

D

S

V

L

S

N

M

A

V

A

L

R

S

Y

L

L

M

T

Q

G

E

E

P

P

E

V

E

A

V

V

L

N

C

A

Q

V

G

E

G

S

C

T

-

D

-

R

-

S

-

D

Y

P

L

R

H

F

S

G

K

E

I

V

A

E

D

D

V

I

T

I

V

N

S

F

M

Q

L

L

R

L

F

F

P

P

S

S

G

G

A

A

Q

T

A

A

H

N

F

C

F

V

V

S

S

A

W

Y

L

-

H

-

P

S

F

V

K

N

E

C

Q

N

K

R

L

Y

V

R

V

V

V

S

G

G

D

P

R

K

G

G

M

W

L

V

V

E

F

I

D

D

D

P

G

A

Q

T

P

S

W
x
Y

E

Q

S

G

K

Q

L

-

V

-

L

-

Y

-

P

-

H

-

A

A

I

M

R

R

W

A

E

Q

-

L

G

G

A

G

V

P

P

P

V

A

P

P

D

-

K

-

A

-

E

-

G

-

Q

R

N

E

I

P

A

A

V

P

E

Q

P

P

E

K

E

N

P

Q

L

F

R

S

Q

A

E

Q

C

L

L

D

H

H

F

L

L

S

E

E

C

C

I

I

R

L

D

T

G

G

A

R

V

E

P

P

R

I

T

V

D

G

G

G

H

D

E

D

G

G

V

L

R

K

V

D

L

L

R

R

V

V

L

I

K

E

A

A

S

I

Q

Y

R

R

S

A

M

A

D

R

T

E

R

G

Q

R

P

T

V

V

S

K

L

L

active site: K100 (= K93), Y185 (≠ H169)
binding nadp nicotinamide-adenine-dinucleotide phosphate: L10 (≠ A10), G11 (= G11), Y12 (≠ H12), Y13 (≠ W13), S35 (≠ D32), G36 (≠ A33), T37 (≠ N34), K40 (≠ A37), Y58 (≠ S51), I76 (≠ A69), T77 (= T70), P78 (= P71), L81 (≠ T74), H82 (= H75), E99 (= E92), K100 (= K93), R128 (≠ L121), W167 (vs. gap), R168 (= R150), Y185 (≠ H169), Y263 (≠ W245)

1evjA Crystal structure of glucose-fructose oxidoreductase (gfor) delta1-22 s64d (see paper)
25% identity, 61% coverage: 6:328/528 of query aligns to 6:331/340 of 1evjA

query
sites
1evjA

A

A

V

I

I

V

G
|
G

A
x
L

G
|
G

H
x
K

W
x
Y

G

A

K

L

N

N

-

Q

L

I

V

L

R

P

N

G

F

F

-

A

-

G

-

C

-

Q

H

H

S

S

L

-

G

-

A

R

L

I

D

E

V

A

I

L

C

V

D
|
D

A

G

N

N

E

A

E

E

A

K

L

A

K

K

T

I

F

V

A

A

E

A

Q

E

Y

Y

P

-

G

G

V

V

E

D

T

P

S

R

V

K

A

I

L

Y

S

D

H

Y

-

S

-

N

-

F

-

D

-

K

V

I

L

A

R

K

R

D

P

P

S

K

V

I

D

D

A

A

V

V

V

Y

I

I

A

I

T
x
L

P
|
P

A
x
N

E

S

T

L

H
|
H

A

A

S

E

I

F

A

A

R

I

E

R

A

A

L

F

L

K

A

A

G

G

K

K

H

H

V

V

F

M

V

C

E
|
E

K
|
K

P

P

L

M

A

A

L

T

D

S

V

V

A

A

E

D

A

C

R

Q

D

R

L

M

T

I

R

D

L

A

A

A

R

K

D

A

K

A

G

N

L

K

V

K

L

L

M

M

V

I

G

G

H

Y

L
x
R

L

C

Q

H

Y

Y

H

D

P

P

A

M

F

N

L

R

K

A

T

A

L

V

A

K

M

L

A

I

R

R

S

E

G

N

E

Q

L

L

G

G

R

K

I

L

D

G

Y

M

V

V

Y

T

S

T

N

D

R

N

L

S

N

D

L

V

-

M

-

D

-

Q

-

N

-

D

-

P

-

A

-

Q

G
x
W

M
x
R

I

L

R

R

Q

E

-

L

-

A

-

G

E

G

N

G

S

S

L

L

W

M

S

D

F

I

A

G

P

I

H
x
Y

D

G

V

L

S

N

M

G

V

T

L

R

S

Y

L

L

M

L

Q

G

E

E

P

P

E

I

E

E

V

V

L

R

C

-

Q

-

G

-

C

A

Y

Y

L

T

H

Y

S

S

-

D

-

P

-

N

-

D

-

E

-

R

-

F

-

V

K

E

I

V

A

E

D

D

V

R

T

I

V

I

S

W

M

Q

L

M

R

R

F

F

P

R

S

S

G

G

A

A

Q

L

A

S

H

H

F

-

F

G

V

A

S

S

W

S

L

Y

H

S

P

T

F

T

K

T

E

T

Q

S

K

R

L

F

V

S

V

V

V

Q

G

G

D

D

R

K

G

A

M

V

L

L

V

L

F

M

D

D

D

P

G

A

Q

T

P

G

W
x
Y

E

Y

S

Q

K

N

L

L

V

I

L

-

Y

-

P

-

H

-

A

-

I

-

R

-

W

-

E

-

G

-

A

S

V

V

P

Q

V

T

P

P

D

M

K

P

A

A

E

N

G

N

Q

Q

N

-

I

-

A

-

V

-

E

-

P

-

E

-

P

-

L

F

R

S

Q

A

E

Q

C

L

L

D

H

H

F

L

L

A

E

E

C

A

I

V

R

I

D

N

G

N

A

K

V

P

P

V

R

R

T

S

D

P

G

G

H

E

E

E

G

G

V

M

R

Q

V

D

L

V

R

R

V

L

L

I

K

Q

A

A

S

I

Q

Y

R

E

S

A

M

A

D

R

T

T

R

G

Q

R

P

P

V

V

S

N

L

T

E

D

active site: K100 (= K93), Y188 (≠ H169)
binding nicotinamide-adenine-dinucleotide: G9 (= G9), L10 (≠ A10), G11 (= G11), K12 (≠ H12), Y13 (≠ W13), D35 (= D32), L77 (≠ T70), P78 (= P71), N79 (≠ A72), H82 (= H75), E99 (= E92), K100 (= K93), R128 (≠ L121), W170 (≠ G154), R171 (≠ M155), Y188 (≠ H169), Y267 (≠ W245)

6o15A Crystal structure of a putative oxidoreductase yjhc from escherichia coli in complex with NAD(h) (see paper)
26% identity, 57% coverage: 3:301/528 of query aligns to 2:316/355 of 6o15A

query
sites
6o15A

I

I

S

N

V

Y

A

G

V

V

I

V

G

G

A

V

G
|
G

H
x
Y

W
x
F

G

G

K

A

N

E

L

L

V

A

R

R

N

F

F

M

H

N

S

M

L

H

G

D

A

N

L

A

D

K

V

I

I

T

C

C

D

V

A
x
Y

N
x
D

E

P

E

E

A

N

L

G

K

E

T

N

F

I

A

A

E

R

Q

E

Y

L

P

Q

G

C

V

I

E

N

T

M

S

S

V

-

A

S

L

L

S

D

H

A

V

L

L

V

R

S

P

K

S

L

V

V

D

D

A

C

V

V

V

I

I

V

A
|
A

T
|
T

P
|
P

A
x
N

E

Y

T

L

H
|
H

A

K

S

E

I

P

A

V

R

I

E

K

A

A

L

A

L

K

A

N

G

K

K

K

H

H

V

V

F

F

V

C

E
|
E

K
|
K

P

P

L

I

A

A

L

L

D

S

V

Y

A

E

E

D

A

C

R

V

D

D

L

M

T

V

R

K

L

A

A

C

R

K

D

E

K

A

G

G

L

V

V

T

L

F

M

M

V

A

G

G

H

H

L
x
I

L

M

Q

N

Y

F

H

F

P

N

A

G

F

V

L

Q

K

Y

T

A

L

R

A

K

M

L

A

I

R

K

S

E

G

G

E

V

L

I

G

G

R

E

I

I

D

L

Y

S

V

C

Y

H

S

T

N

K

R

R

L

-

N

-

L

N

G

G

M

W

I

E

R

N

R

K

Q

Q

E

E

N

R

S

L

L

S

W
|
W

S

K

F

K

A

M

P

K

-

E

-

Q

-

S

-

G

-

H

-

L

-

Y

-

H

-

I

H

H

D

E

V

L

S

D

M

C

V

V

L

Q

S

H

L

L

M

L

Q

G

E

E

E

I

P

P

E

E

E

T

V

V

L

T

C

M

Q

I

G

G

C

N

Y

L

L

A

H

H

S

S

-

G

-

P

-

G

-

F

-

G

K

N

I

E

A

D

D

D

V

M

T

L

V

F

S

M

M

T

L

L

R

E

F

F

P

P

S

S

G

G

A

K

Q

L

A

A

H

-

F

-

F

T

V

L

S

E

W

W

L

G

H

S

P

A

F

F

K

N

-

W

-

P

E

E

Q

H

K

Y

L

V

V

I

V

N

G

G

D

T

R

K

G

G

M

S

L

I

V

K

F

I

D

D

D

M

G

Q

Q

E

P

T

W

A

E

G

S

S

K

L

L

R

V

I

-

G

L

Q

Y

T

P

K

H

H

A

F

I

L

R

V

W

H

E

E

G

T

A

Q

V

E

P

E

V

D

P

D

D

D

K

R

A

R

E

K

G

G

Q

-

N

N

I

M

A

T

V

K

E

T

P

P

-

L

-

W

-

L

E

A

E

S

P

L

L

I

R

R

Q

K

E

E

C

T

L

L

H

-

F

F

L

L

E

H

C

N

I

I

R

L

D

C

G

G

A

A

V

K

P

P

R

E

T

E

D

D

binding nicotinamide-adenine-dinucleotide: G10 (= G11), Y11 (≠ H12), F12 (≠ W13), Y32 (≠ A33), D33 (≠ N34), A67 (= A69), T68 (= T70), P69 (= P71), N70 (≠ A72), H73 (= H75), E90 (= E92), K91 (= K93), I119 (≠ L121), W160 (= W164)

P39353 2,7-anhydro-N-acetylneuraminate hydratase; EcNanOx; EC 4.2.1.- from Escherichia coli (strain K12) (see paper)
25% identity, 45% coverage: 3:240/528 of query aligns to 2:252/372 of P39353

query
sites
P39353

I

I

S

N

V

Y

A

G

V

V

I

V

G

G

A

V

G

G

H
x
Y

W
x
F

G

G

K

A

N

E

L

L

V

A

R

R

N

F

F

M

H

N

S

M

L

H

G

D

A

N

L

A

D

K

V

I

I

T

C

C

D

V

A

Y

N
x
D

E

P

E

E

A
x
N

L

G

K

E

T

N

F

I

A

A

E

R

Q

E

Y

L

P

Q

G

C

V

I

E

N

T

M

S

S

V

-

A

S

L

L

S

D

H

A

V

L

L

V

R

S

P

K

S

L

V

V

D

D

A

C

V

V

V

I

I

V

A

A

T
|
T

P

P

A
x
N

E

Y

T

L

H
|
H

A

K

S

E

I

P

A

V

R

I

E

K

A

A

L

A

L

K

A

N

G

K

K

K

H

H

V

V

F

F

V

C

E
|
E

K
|
K

P

P

L

I

A

A

L

L

D

S

V

Y

A

E

E

D

A

C

R

V

D

D

L

M

T

V

R

K

L

A

A

C

R

K

D

E

K

A

G

G

L

V

V

T

L

F

M

M

V

A

G

G

H

H

L

I

L

M

Q

N

Y

F

H

F

P

N

A

G

F

V

L

Q

K

Y

T

A

L

R

A

K

M

L

A

I

R

K

S

E

G

G

E

V

L

I

G

G

R

E

I

I

D

L

Y

S

V

C

Y

H

S

T

N

K

-

R

-

N

-

G

-

W

-

E

-

N

-

K

-

Q

-

E

R

R

L

L

N

S

L
x
W

G

K

M

K

I

M

R

K

R

E

Q

Q

E

S

N

G

S

G

L

H

W

L

S

Y

F

H

A

H

P

I

H

H

D

E

V

L

S

D

M

C

V

V

L

Q

S

H

L

L

M

L

Q

G

E

E

E

I

P

P

E

E

E

T

V

V

L

T

C

M

Q

I

G

G

C

N

Y

L

L

A

H

H

S

S

K

G

I

P

A

G

-

F

-

G

-

N

-

E

-

D

D

D

V

M

T

L

V

F

S

M

M

T

L

L

R

E

F

F

P

P

S

S

G

G

A

K

Q

L

A

A

H

-

F

-

F

T

V

L

S

E

W

W

L

G

H

S

P

A

F

F

K

N

-

W

-

P

E

E

Q

H

K

Y

L

V

V

I

V

N

G

G

D

T

R

K

G

G

M

S

L

I

V

K

F

I

D

D

Y11 (≠ H12) binding NAD(+)
F12 (≠ W13) binding NAD(+)
D33 (≠ N34) binding NAD(+)
N36 (≠ A37) binding NAD(+)
T68 (= T70) binding NAD(+)
N70 (≠ A72) binding NAD(+)
H73 (= H75) binding NAD(+)
E90 (= E92) binding NAD(+)
K91 (= K93) binding NAD(+)
W160 (≠ L153) binding NAD(+)

1h6dA Oxidized precursor form of glucose-fructose oxidoreductase from zymomonas mobilis complexed with glycerol (see paper)
24% identity, 61% coverage: 6:328/528 of query aligns to 37:374/383 of 1h6dA

query
sites
1h6dA

A

A

V

I

I

V

G
|
G

A
x
L

G
|
G

H
x
K

W
x
Y

G

A

K

L

N

N

-

Q

L

I

V

L

R

P

N

G

F

F

-

A

-

G

-

C

-

Q

H

H

S

S

L

-

G

-

A

R

L

I

D

E

V

A

I

L

C

V

D
x
S

A
x
G

N

N

E

A

E

E

A
x
K

L

A

K

K

T

I

F

V

A

A

E

A

Q

E

Y

Y

P

-

G

G

V

V

E

D

T

P

S

R

V

K

A

I

L

Y

S

D

H
x
Y

-

S

-

N

-

F

-

D

-

K

V

I

L

A

R

K

R

D

P

P

S

K

V

I

D

D

A

A

V

V

V

Y

I

I

A
x
I

T
x
L

P
|
P

A
x
N

E

S

T

L

H
|
H

A

A

S

E

I

F

A

A

R

I

E

R

A

A

L

F

L

K

A

A

G

G

K

K

H

H

V

V

F

M

V

C

E
|
E

K
|
K

P

P

L

M

A

A

L

T

D

S

V

V

A

A

E

D

A

C

R

Q

D

R

L

M

T

I

R

D

L

A

A

A

R

K

D

A

K

A

G

N

L

K

V

K

L

L

M

M

V

I

G

G

H

Y

L
x
R

L

C

Q

H

Y

Y

H

D

P

P

A

M

F

N

L

R

K

A

T

A

L

V

A

K

M

L

A

I

R

R

S

E

G

N

E

Q

L

L

G

G

R

K

I

L

D

G

Y

M

V

V

Y

T

S

T

N

D

R

N

L

S

N

D

L

V

-

M

-

D

-

Q

-

N

-

D

-

P

-
x
A

-

Q

G
x
W

M
x
R

I

L

R

R

Q

E

-

L

-

A

-

G

E

G

N

G

S

S

L

L

W

M

S
x
D

F

I

A

G

P

I

H
x
Y

D

G

V

L

S

N

M

G

V

T

L

R

S

Y

L

L

M

L

Q

G

E

E

P

P

E

I

E

E

V

V

L

R

C

-

Q

-

G

-

C

A

Y

Y

L

T

H

Y

S

S

-

D

-

P

-

N

-

D

-

E

-

R

-

F

-

V

K

E

I

V

A

E

D

D

V

R

T

I

V

I

S

W

M

Q

L

M

R

R

F

F

P

R

S

S

G

G

A

A

Q

L

A

S

H

H

F

-

F

G

V

A

S

S

W

S

L

Y

H

S

P

T

F

T

K

T

E

T

Q

S

K

R

L

F

V

S

V

V

V

Q

G

G

D

D

R

K

G

A

M

V

L

L

V

L

F

M

D

D

D

P

G

A

Q

T

P

G

W
x
Y

E

Y

S

Q

K

N

L

L

V

I

L

-

Y

-

P

-

H

-

A

-

I

-

R

-

W

-

E

-

G

-

A

S

V

V

P

Q

V

T

P

P

D

G

K

H

A

A

E

-

G

-

Q

-

N

N

I

Q

A

S

V

M

E

M

P

P

E

Q

-

F

-

I

-

M

-

P

-

A

-

N

E

N

P

Q

L

F

R

S

Q

A

E

Q

C

L

L

D

H

H

F

L

L

A

E

E

C

A

I

V

R

I

D

N

G

N

A

K

V

P

P

V

R

R

T

S

D

P

G

G

H

E

E

E

G

G

V

M

R

Q

V

D

L

V

R

R

V

L

L

I

K

Q

A

A

S

I

Q

Y

R

E

S

A

M

A

D

R

T

T

R

G

Q

R

P

P

V

V

S

N

L

T

E

D

active site: K131 (= K93), Y219 (≠ H169)
binding glycerol: K131 (= K93), R202 (≠ M155), D215 (≠ S165), Y219 (≠ H169)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G40 (= G9), L41 (≠ A10), G42 (= G11), K43 (≠ H12), Y44 (≠ W13), S66 (≠ D32), G67 (≠ A33), K71 (≠ A37), Y89 (≠ H56), I107 (≠ A69), L108 (≠ T70), P109 (= P71), N110 (≠ A72), H113 (= H75), E130 (= E92), K131 (= K93), R159 (≠ L121), A198 (vs. gap), W201 (≠ G154), R202 (≠ M155), Y219 (≠ H169), Y298 (≠ W245)

Sites not aligning to the query:

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: 17, 18, 19

Query Sequence

>WP_018124244.1 NCBI__GCF_000375485.1:WP_018124244.1
MDISVAVIGAGHWGKNLVRNFHSLGALDVICDANEEALKTFAEQYPGVETSVALSHVLRR
PSVDAVVIATPAETHASIAREALLAGKHVFVEKPLALDVAEARDLTRLARDKGLVLMVGH
LLQYHPAFLKTLAMARSGELGRIDYVYSNRLNLGMIRRQENSLWSFAPHDVSMVLSLMQE
EPEEVLCQGGCYLHSKIADVTVSMLRFPSGAQAHFFVSWLHPFKEQKLVVVGDRGMLVFD
DGQPWESKLVLYPHAIRWEGAVPVPDKAEGQNIAVEPEEPLRQECLHFLECIRDGAVPRT
DGHEGVRVLRVLKASQRSMDTRQPVSLEVFDRSCADDDCFVHPSAVVDTGVQVGKGSSIW
HFSHLLPGTELGRNCKVGQNVVIGPDVSMGHGCKIQNNVSVYKGVTLEDDVFCGPSMVFT
NVHNPRSHTPRMDQVRETLVRTGATLGANCTVVCGVTIGRNAFVGAGAVVTRSVPDHALV
LGNPARVSGWVCRCAERLDDELCCPVCSIRHTRGENGLVPQEESNINE

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