SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_067472346.1 NCBI__GCF_001659785.1:WP_067472346.1 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)

7ysmA Crystal structure of udp-glucose 4-epimerase (rv3634c) co-crystallized with udp-n-acetylglucosamine from mycobacterium tuberculosis
58% identity, 97% coverage: 9:318/318 of query aligns to 2:310/311 of 7ysmA

query
sites
7ysmA

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binding nicotinamide-adenine-dinucleotide: G7 (= G14), G10 (= G17), F11 (= F18), I12 (= I19), D31 (= D38), N32 (= N39), T35 (≠ S42), G36 (= G43), D56 (= D63), I57 (= I64), L77 (= L84), A78 (= A85), A79 (= A86), I81 (= I88), T119 (= T126), Y146 (= Y153), K150 (= K157), P173 (= P180), N175 (= N182), V176 (= V183)
binding uridine-diphosphate-n-acetylgalactosamine: I81 (= I88), R84 (= R91), S121 (= S128), G123 (= G130), S124 (= S131), Y146 (= Y153), A174 (= A181), N175 (= N182), G188 (= G195), V189 (= V196), F193 (= F200), R204 (= R211), V205 (= V212), F206 (= F213), N211 (= N218), R213 (= R220), D248 (= D256), R271 (= R279)

7ystA Crystal structure of udp-glucose 4-epimerase (rv3634c) in complex with both udp-glucose and udp-galactose in chain b from mycobacterium tuberculosis
58% identity, 97% coverage: 9:318/318 of query aligns to 2:310/312 of 7ystA

query
sites
7ystA

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binding nicotinamide-adenine-dinucleotide: G7 (= G14), G10 (= G17), F11 (= F18), I12 (= I19), D31 (= D38), N32 (= N39), T35 (≠ S42), G36 (= G43), D56 (= D63), I57 (= I64), L77 (= L84), A78 (= A85), A79 (= A86), I81 (= I88), V96 (= V103), T119 (= T126), Y146 (= Y153), K150 (= K157), P173 (= P180), A174 (= A181), N175 (= N182), V176 (= V183)
binding uridine-5'-diphosphate-glucose: I81 (= I88), R84 (= R91), S121 (= S128), G123 (= G130), Y146 (= Y153), A174 (= A181), N175 (= N182), A187 (= A194), G188 (= G195), V189 (= V196), F193 (= F200), R204 (= R211), V205 (= V212), F206 (= F213), R213 (= R220), D248 (= D256), R271 (= R279)

7ys9A Crystal structure of udp-glucose 4-epimerase (rv3634c) in complex with both udp-glucose and udp-galactose in chaina from mycobacterium tuberculosis
58% identity, 97% coverage: 9:318/318 of query aligns to 2:310/310 of 7ys9A

query
sites
7ys9A

K

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H

binding galactose-uridine-5'-diphosphate: I81 (= I88), R84 (= R91), S121 (= S128), G123 (= G130), Y146 (= Y153), A174 (= A181), N175 (= N182), A187 (= A194), G188 (= G195), V189 (= V196), F193 (= F200), R204 (= R211), F206 (= F213), N211 (= N218), R213 (= R220), D248 (= D256), R271 (= R279)
binding nicotinamide-adenine-dinucleotide: G7 (= G14), G10 (= G17), F11 (= F18), I12 (= I19), D31 (= D38), N32 (= N39), A34 (≠ V41), T35 (≠ S42), G36 (= G43), D56 (= D63), I57 (= I64), L77 (= L84), A78 (= A85), A79 (= A86), I81 (= I88), T119 (= T126), Y146 (= Y153), K150 (= K157), P173 (= P180), A174 (= A181), V176 (= V183)
binding uridine-5'-diphosphate-glucose: I81 (= I88), R84 (= R91), S121 (= S128), G123 (= G130), Y146 (= Y153), A174 (= A181), N175 (= N182), A187 (= A194), G188 (= G195), V189 (= V196), F193 (= F200), R204 (= R211), F206 (= F213), N211 (= N218), R213 (= R220), D248 (= D256), R271 (= R279)

4zrnA Crystal structure of udp-glucose 4-epimerase (tm0509) with udp-glucose from hyperthermophilic eubacterium thermotoga maritima (see paper)
45% identity, 97% coverage: 10:318/318 of query aligns to 3:306/309 of 4zrnA

query
sites
4zrnA

V

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W

Y

A

T

A

V

V

L

A

R

P
x
Y

A

A

N
|
N

V
|
V

Y

Y

G

G

P

P

R

R

Q

Q

N

D

P

P

H
x
Y

G

G

E

E

A

A

G
|
G

V
|
V

V

V

A

A

I

I

F

F

S

T

E

E

R

R

L

M

L

L

A

R

G

G

T

E

P

E

T

V

R
x
H

V

I

F
|
F

G

G

D

D

G

G

G

E

N
x
Y

T

V

R
|
R

D

D

Y

Y

V

V

F

Y

V

V

D

D

V

V

D

R

A

A

F

N

F

L

R

L

A

A

A

-

T

-

T

M

E

E

Q

K

A

G

A

D

G

N

L

E

R

V

F

F

N

N

I

I

G

G

T

T

G

G

V

R

E

G

T

T

S

T

D
x
V

R

N

R

Q

L

L

H

F

T

K

L

L

V

L

A

K

E

E

T

I

I

T

G

G

V

Y

A

D

D

K

N

E

P

P

D

V

F

Y

A

K

P

P

R
|
R

L

K

G

G

D
|
D

V

V

A

R

R

K

S

S

A

I

L

L

D

D

A

Y

A

T

R

K

A

A

R

K

D

E

V

K

L

L

G

G

W

W

A

E

P

P

G

K

V

V

D

S

I

L

A

E

T

E

G

G

V

L

A

K

R

L

T

T

V

V

D

E

F

Y

F

F

R

R

K

K

active site: T117 (≠ S128), G119 (= G130), A120 (≠ S131), Y143 (= Y153), K147 (= K157), Y181 (≠ H191), G185 (= G195)
binding nicotinamide-adenine-dinucleotide: G7 (= G14), G10 (= G17), F11 (= F18), I12 (= I19), D31 (= D38), N32 (= N39), S34 (≠ V41), S35 (= S42), G36 (= G43), S51 (≠ D63), I52 (= I64), L73 (= L84), A74 (= A85), A75 (= A86), T92 (≠ V103), S115 (≠ T126), S116 (= S127), Y143 (= Y153), K147 (= K157), Y170 (≠ P180), V173 (= V183)
binding uridine-5'-diphosphate-glucose: T117 (≠ S128), G119 (= G130), A120 (≠ S131), Y143 (= Y153), N172 (= N182), G185 (= G195), V186 (= V196), H201 (≠ R211), F203 (= F213), Y208 (≠ N218), R210 (= R220), V244 (≠ D256), R267 (= R279), D270 (= D282)

2p5uA Crystal structure of thermus thermophilus hb8 udp-glucose 4-epimerase complex with NAD
44% identity, 97% coverage: 9:317/318 of query aligns to 2:308/311 of 2p5uA

query
sites
2p5uA

K

R

V

V

L

L

V

V

T

T

G

G

A

A

G
|
G

F
|
F

I
|
I

G

G

S

S

T

H

L

I

V

V

D

E

R

D

L

L

I

L

A

A

E

R

G

G

Y

L

E

E

V

V

A

A

V

V

V

L

D
|
D

N
|
N

L
|
L

V
x
A

S
x
T

G
|
G

R

K

R

R

E

E

N

N

L

V

A

P

K

K

A

G

Q

-

E

-

T

-

G

-

K

-

L

V

S

P

F

F

H

F

Q

R

V

V

D
|
D

I
x
L

T

R

D

D

P

K

-

E

A

G

L

V

A

E

Q

R

I

A

V

F

E

R

N

E

E

F

A

R

P

P

H

T

T

H

I

V

F

S

H

H

L
x
Q

A
|
A

Q

Q

I
x
A

D

S

V

V

R

K

K

V

S

S

V

V

E

E

D

D

P

P

I

V

F

L

D

D

S

F

E

E

V

V

N

N

V

L

G

G

T

G

V

L

R

N

I

L

A

L

E

E

A

A

A

C

R

R

R

Q

A

Y

G

G

T

V

Q

E

R

K

I

L

V

V

F

F

T

A

S
|
S

S
x
T

G

G

G
|
G

S
x
A

I

I

Y

Y

G

G

P

-

T

-

D

-

D

E

I

V

P

P

-

E

-

G

-

E

-

R

V

A

S

E

D

E

S

T

R

W

P

P

V

P

N

R

P

P

L

K

S

S

P

P

Y
|
Y

A

A

G

S

K
|
K

V

A

A

A

G

F

E

E

I

H

Y

Y

L

L

E

S

M

V

F

Y

A

G

Q

Q

L

S

Y

Y

G

G

I

L

S

K

W

W

A

V

A

S

V

L

A

R

P

Y

A

G

N

N

V
|
V

Y

Y

G

G

P

P

R

R

Q

Q

N

D

P

P

H
|
H

G

G

E

E

A

A

G
|
G

V

V

A

A

I

I

F

F

S

A

E

E

R

R

L

V

L

L

A

K

G

G

T

L

P

P

T

V

R

T

V

L

F

Y

-

A

-

R

-

K

-

T

-

P

G

G

D

D

G

E

G

G

N

C

T

V

R

R

D

D

Y

Y

V

V

F

Y

V

V

D

G

D

D

V

V

V

A

D

E

A

A

F

H

F

A

R

L

A

A

A

L

T

F

T

S

E

L

Q

E

A

G

A

I

G

-

L

-

R

-

F

Y

N

N

I

V

G

G

T

T

G

G

V

E

E

G

T

H

S

T

D

T

R

R

R

E

L

V

H

L

T

M

L

A

V

V

A

A

E

E

T

A

I

A

G

G

V

K

A

A

D

P

N

E

P

V

D

Q

F

P

A

A

P

P

R

R

L

P

G

G

D

D

V

L

A

E

R

R

S

S

A

V

L

L

D

S

A

P

A

L

R

K

A

L

R

M

D

-

V

A

L

H

G

G

W

W

A

R

P

P

G

K

V

V

D

G

I

F

A

Q

T

E

G

G

V

I

A

R

R

L

T

T

V

V

D

D

F

H

F

F

R

R

active site: T117 (≠ S128), G119 (= G130), A120 (≠ S131), Y143 (= Y153), K147 (= K157), H181 (= H191), G185 (= G195)
binding nicotinamide-adenine-dinucleotide: G10 (= G17), F11 (= F18), I12 (= I19), D31 (= D38), N32 (= N39), L33 (= L40), A34 (≠ V41), T35 (≠ S42), G36 (= G43), D51 (= D63), L52 (≠ I64), Q73 (≠ L84), A74 (= A85), A75 (= A86), A77 (≠ I88), S116 (= S127), Y143 (= Y153), K147 (= K157), V173 (= V183)

6wjaA Udp-glcnac c4-epimerase mutant s121a/y146f from pseudomonas protegens in complex with udp-galnac (see paper)
35% identity, 96% coverage: 8:311/318 of query aligns to 1:302/307 of 6wjaA

query
sites
6wjaA

K

E

K

R

V

I

L

L

V

V

T

T

G
|
G

G

G

A

A

G
|
G

F
|
F

I
|
I

G

G

S

S

T

H

L

L

V

V

D

D

R

A

L

L

I

L

A

A

E

K

G

G

Y

Y

E

A

V

V

A

R

V

V

V

L

D
|
D

N
x
D

L

L

V
x
S

S
x
T

G
|
G

R

K

R

V

E

G

N

N

L

L

A

P

K

M

A

G

Q

D

E

A

T

G

G

L

K

E

L

L

S

L

F

V

H

G

Q

D

V
x
A

D

A

I

D

T

A

D

A

P

L

A

L

L

A

A

D

Q

A

I

V

V

Q

E

G

N

C

E

D

A

A

P

-

H

-

T

-

I

V

F

V

H

H

L
|
L

A
|
A

Q

V

I

A

D

S

V
|
V

R

Q

K

A

S

S

V

V

E

E

D

D

P

P

I

V

F

A

D

T

S

H

E

Q

V
x
S

N

N

V

F

V

I

G

A

T

T

V

L

R

R

I

L

A

C

E

E

A

A

A

M

R

T

R

A

A

A

G

G

T

I

Q

R

R

R

I

V

V

V

F

F

T

A

S

S

S
x
A

G
x
A

G

-

S
x
A

I

V

Y

Y

G

G

P

N

T

N

D

G

D

E

-

G

I

T

P

P

V

I

S

A

D

E

S

D

R

T

P

P

V

K

N

S

P

P

L

L

S

T

P

P

Y
x
F

A

A

G

D

K
|
K

V

L

A

A

G

S

E

E

I

Y

Y

Y

L

L

E

D

M

F

F

Y

A

R

Q

R

L

Q

Y

H

G

G

I

L

S

E

W

P

A

V

A

I

V

L

A

R

P
x
F

A
x
F

N
|
N

V
x
I

Y

F

G

G

P

P

R

R

Q

Q

N

D

P

P

H

S

G

S

E

P

-

Y

A

S

G
|
G

V
|
V

V

I

A

S

I

I

F
|
F

S

S

E

E

R

R

L

A

L

K

A

A

G

G

T

R

P

P

T

I

R
x
T

V

L

F
|
F

G

G

D

D

G

G

N

Q

T

T

R
|
R

D

D

Y

F

V

V

F

Y

V

V

D

A

D

D

V

L

V

V

D

K

A

I

F

L

F

V

R

Q

A

G

A

L

T

E

T

S

E

P

Q

A

A

P

A

A

G

A

L

D

R

A

F

T

N

N

I

V

G

G

T

L

G

G

V

G

E

V

T

T

S

T

D
x
L

R

N

R

D

L

L

H

I

T

G

L

A

V

L

A

Q

E

Q

T

I

I

S

G

G

V

K

A

P

D

L

N

Q

P

V

D

S

F

H

A

G

P

A

P

T

R
|
R

L

S

G

G

D
|
D

V

I

A

R

R

H

S

S

A

K

L

A

D

D

A

N

A

R

R

R

A

L

R

R

D

E

V

R

L

F

G

D

W

L

A

G

P

T

G

P

V

S

D

S

I

L

A

A

T

E

G

G

V

L

A

E

R

R

active site: A118 (≠ S128), A119 (≠ G129), A120 (≠ S131), F143 (≠ Y153), K147 (= K157)
binding nicotinamide-adenine-dinucleotide: G7 (= G14), G10 (= G17), F11 (= F18), I12 (= I19), D31 (= D38), D32 (≠ N39), S34 (≠ V41), T35 (≠ S42), G36 (= G43), A55 (≠ V62), L74 (= L84), A75 (= A85), A76 (= A86), S93 (≠ V103), F143 (≠ Y153), K147 (= K157), F170 (≠ P180), F171 (≠ A181), I173 (≠ V183)
binding uridine-diphosphate-n-acetylgalactosamine: V80 (= V90), A120 (≠ S131), N172 (= N182), G186 (= G195), V187 (= V196), F191 (= F200), T202 (≠ R211), F204 (= F213), R211 (= R220), L247 (≠ D256), R270 (= R279), D273 (= D282)

6wj9B Udp-glcnac c4-epimerase mutant s121a/y146f from pseudomonas protegens in complex with udp-glcnac (see paper)
35% identity, 96% coverage: 8:311/318 of query aligns to 2:303/308 of 6wj9B

query
sites
6wj9B

K

E

K

R

V

I

L

L

V

V

T

T

G
|
G

G

G

A

A

G
|
G

F
|
F

I
|
I

G

G

S

S

T

H

L

L

V

V

D

D

R

A

L

L

I

L

A

A

E

K

G

G

Y

Y

E

A

V

V

A

R

V

V

V

L

D
|
D

N
x
D

L

L

V
x
S

S
x
T

G
|
G

R

K

R

V

E

G

N

N

L

L

A

P

K

M

A

G

Q

D

E

A

T

G

G

L

K

E

L

L

S

L

F

V

H

G

Q
x
D

V
x
A

D

A

I

D

T

A

D

A

P

L

A

L

L

A

A

D

Q

A

I

V

V

Q

E

G

N

C

E

D

A

A

P

-

H

-

T

-

I

V

F

V

H

H

L
|
L

A
|
A

Q

V

I

A

D

S

V
|
V

R

Q

K

A

S

S

V

V

E

E

D

D

P

P

I

V

F

A

D

T

S

H

E

Q

V
x
S

N

N

V

F

V

I

G

A

T

T

V

L

R

R

I

L

A

C

E

E

A

A

A

M

R

T

R

A

A

A

G

G

T

I

Q

R

R

R

I

V

V

V

F

F

T
x
A

S

S

S
x
A

G
x
A

G

-

S
x
A

I

V

Y

Y

G

G

P

N

T

N

D

G

D

E

-

G

I

T

P

P

V

I

S

A

D

E

S

D

R

T

P

P

V

K

N

S

P

P

L

L

S

T

P

P

Y
x
F

A

A

G

D

K
|
K

V

L

A

A

G

S

E

E

I

Y

Y

Y

L

L

E

D

M

F

F

Y

A

R

Q

R

L

Q

Y

H

G

G

I

L

S

E

W

P

A

V

A

I

V

L

A

R

P
x
F

A
x
F

N
|
N

V
x
I

Y

F

G

G

P

P

R

R

Q

Q

N

D

P

P

H

S

G

S

E

P

-

Y

A

S

G
|
G

V
|
V

V

I

A

S

I

I

F
|
F

S

S

E

E

R

R

L

A

L

K

A

A

G

G

T

R

P

P

T

I

R
x
T

V
x
L

F
|
F

G

G

D

D

G

G

N

Q

T

T

R
|
R

D

D

Y

F

V

V

F

Y

V

V

D

A

D

D

V

L

V

V

D

K

A

I

F

L

F

V

R

Q

A

G

A

L

T

E

T

S

E

P

Q

A

A

P

A

A

G

A

L

D

R

A

F

T

N

N

I

V

G

G

T

L

G

G

V

G

E

V

T

T

S

T

D
x
L

R

N

R

D

L

L

H

I

T

G

L

A

V

L

A

Q

E

Q

T

I

I

S

G

G

V

K

A

P

D

L

N

Q

P

V

D

S

F

H

A

G

P

A

P

T

R
|
R

L

S

G

G

D
|
D

V

I

A

R

R

H

S

S

A

K

L

A

D

D

A

N

A

R

R

R

A

L

R

R

D

E

V

R

L

F

G

D

W

L

A

G

P

T

G

P

V

S

D

S

I

L

A

A

T

E

G

G

V

L

A

E

R

R

active site: A119 (≠ S128), A120 (≠ G129), A121 (≠ S131), F144 (≠ Y153), K148 (= K157)
binding nicotinamide-adenine-dinucleotide: G8 (= G14), G11 (= G17), F12 (= F18), I13 (= I19), D32 (= D38), D33 (≠ N39), S35 (≠ V41), T36 (≠ S42), G37 (= G43), D55 (≠ Q61), A56 (≠ V62), L75 (= L84), A76 (= A85), A77 (= A86), S94 (≠ V103), A117 (≠ T126), A119 (≠ S128), F144 (≠ Y153), K148 (= K157), F171 (≠ P180), F172 (≠ A181), I174 (≠ V183)
binding uridine-diphosphate-n-acetylglucosamine: V81 (= V90), N173 (= N182), G187 (= G195), V188 (= V196), F192 (= F200), T203 (≠ R211), L204 (≠ V212), F205 (= F213), R212 (= R220), L248 (≠ D256), R271 (= R279), D274 (= D282)

6bwlA X-ray structure of pal from bacillus thuringiensis (see paper)
33% identity, 97% coverage: 9:317/318 of query aligns to 2:310/313 of 6bwlA

query
sites
6bwlA

K

K

V

I

L

L

V

V

T

T

G
|
G

G

G

A

A

G
|
G

F
|
F

I
|
I

G

G

S

R

T

W

L

V

V

V

D

K

R

R

L

L

I

L

A

Q

E

D

G

K

Y

H

E

E

V

V

A

W

V

I

V

L

D
|
D

N
|
N

L
|
L

V

A

S
x
N

G
x
S

R

T

E

A

N

N

L

I

A

T

K

E

-

F

A

A

Q

H

E

D

T

L

G

N

K

L

L

K

S

Q

F

C

H

I

Q

Q

V

G

D
|
D

I
|
I

T

K

D

D

P

K

A

K

L

L

-

V

A

A

Q

Q

I

L

V

F

E

E

N

N

E

N

A

S

P

F

H

D

T

L

I

C

F

Y

H

H

L
|
L

A
|
A

Q

S

I
|
I

D

N

V

V

R

Q

K

D

S

S

V

I

E

D

D

D

P

A

I

R

F

A

D

T

S

F

E

E

V

N

N

D

V

T

V

I

G

G

T

T

V

F

R

N

I

L

A

L

E

E

A

Q

A

C

R

L

R

N

A

Y

G

D

T

V

Q

-

R

K

I

M

V

V

F

F

T
x
M

S

S

S
x
T

G
x
C

G

-

S
x
M

I

V

Y

Y

G

D

P

K

T

A

D

T

D

N

I

I

P

Q

-

G

V

I

S

S

D

E

S

L

R

D

P

P

V

I

N

K

P

P

L

A

S

S

P

P

Y
|
Y

A

A

A

G

G

S

K
|
K

V

I

A

A

G

A

E

E

I

N

Y

M

L

V

E

L

M

S

F

Y

A

Y

Q

Y

L

A

Y

Y

G

K

I

L

S

P

W

V

A

V

V

I

A

R

P

P

A

F

N
|
N

V
x
T

Y

Y

G

G

P

P

R

F

Q

Q

N

K

P

T

H

G

G

G

E

E

A

G

G
|
G

V
|
V

V

V

A

A

I

I

F

F

S

I

E

N

R

N

L

K

L

L

A

D

G

N

T

V

P

P

T

L

R
x
N

V
x
I

F
x
Y

G

G

D

D

G

G

G

K

N
x
Q

T

T

R
|
R

D

D

Y

L

V

L

F

Y

V

V

D

E

D

D

V

C

V

A

D

D

A

F

F

V

R

A

A

A

A

G

T

Y

T

S

E

A

Q

K

A

A

A

N

G

G

L

H

R

I

F

I

N

N

I

A

G

G

T

T

G

G

V

Q

E

D

T

I

S

S

D
x
I

R

N

R

K

L

L

H

A

T

E

L

L

V

I

A

S

-

G

E

N

T

K

I

V

G

S

V

I

A

Q

D

H

N

V

P

T

D

H

F

I

A

H

P

P

P

Q

R

-

L

-

G

S

D
x
E

V

I

A

Q

R

K

S

L

A

L

L

C

D

N

A

Y

A

E

R

K

A

A

R

K

D

T

V

I

L

L

G

N

W

W

A

E

P

P

G

K

V

V

D

S

I

L

A

E

T

D

G

G

V

V

A

I

R

K

T

T

V

E

D

E

F

W

F

I

R

K

active site: T122 (≠ S128), C123 (≠ G129), M124 (≠ S131), Y147 (= Y153), K151 (= K157)
binding nicotinamide-adenine-dinucleotide: G7 (= G14), G10 (= G17), F11 (= F18), I12 (= I19), D31 (= D38), N32 (= N39), L33 (= L40), N35 (≠ S42), S36 (≠ G43), D57 (= D63), I58 (= I64), L79 (= L84), A80 (= A85), A81 (= A86), I83 (= I88), M120 (≠ T126), K151 (= K157), N176 (= N182), T177 (≠ V183)
binding uridine-5'-diphosphate: N176 (= N182), G189 (= G195), V190 (= V196), N205 (≠ R211), I206 (≠ V212), Y207 (≠ F213), Q212 (≠ N218), R214 (= R220), I250 (≠ D256), E275 (≠ D282)

6dntA Udp-n-acetylglucosamine 4-epimerase from methanobrevibacter ruminantium m1 in complex with udp-n-acetylmuramic acid (see paper)
31% identity, 97% coverage: 8:316/318 of query aligns to 4:306/310 of 6dntA

query
sites
6dntA

K

K

K

N

V

V

L

V

V

V

T

T

G
|
G

G

G

A

L

G
|
G

F
|
F

I
|
I

G

G

S

S

T

H

L

I

V

V

D

D

R

A

L

L

I

I

A

D

E

D

G

N

Y

-

E

K

V

V

A

T

V

I

D
|
D

N
|
N

L
|
L

V
x
S

S
|
S

G
|
G

R

K

R

M

E

E

N

N

L

L

A

N

K

N

A

P

Q

N

E

H

T

E

G

N

K

-

L

L

S

T

F

I

H

I

Q

K

V

E

D
|
D

I
x
L

T

M

D

D

P

A

A

D

L

L

A

E

Q

K

I

I

V

L

E

K

N

D

E

K

A

-

P

-

H

D

T

Y

I

V

F

F

H

H

L
|
L

A
|
A

Q

L

I
x
A

D

S

V

V

R

P

K

G

S

S

V

V

E

A

D

E

P

P

I

L

F

R

D

Y

S

N

E

Q

V

N

N

N

V

I

V

D

G

A

T

S

V

L

R

K

I

L

A

F

E

I

A

A

A

C

R

K

R

N

A

N

G

N

T

I

Q

K

R

K

I

V

V

I

F

F

T
x
S

S
|
S

G
x
S

G

-

S
x
A

I

V

Y

Y

G

G

P

E

T

N

D

P

D

N

I

M

P

P

V

L

S

K

D

E

S

S

R

E

P

N

V

F

N

L

P

P

L

C

S

S

P

P

Y
|
Y

A

A

G

Q

K
|
K

V

A

A

S

G

C

E

E

I

L

Y

Y

L

L

E

K

M

S

F

F

A

H

Q

E

L

S

Y

Y

G

G

I

L

S

D

W

Y

A

V

A

A

V

L

A

R

P
x
Y

A
x
F

N
|
N

V
|
V

Y

F

G

G

P

P

R

R

Q

Q

N

D

P

E

H

N

G

S

-

P

E

Y

A

A

G
x
A

V
|
V

V

I

A

P

I
x
K

F

F

S

I

E

S

R

A

L

I

L

L

A

N

G

G

T

E

P

S

T

P

R
x
V

V
x
I

F
x
Y

G

G

D

D

G

G

G
x
E

N
x
Q

T

S

R
|
R

D

D

Y

F

V

I

F

Y

V

V

D

K

D

E

V

I

V

A

D

K

A

A

F

N

F

I

R

L

A

S

A

A

T

E

T

S

E

D

Q

Y

A

N

A

G

G

V

L

I

R

-

F

-

N

N

I

V

G

A

T

L

G

G

V

K

E

S

T

M

S

T

D
x
I

R

N

R

R

L

L

H

F

T

E

L

I

V

I

A

S

E

D

T

V

I

L

G

E

V

S

A

D

D

I

N

D

P

V

D

K

F

Y

A

L

P

D

P

E

R
|
R

L

P

G

G

D
|
D

V

I

A

K

R
x
H

S

S

A

L

L

A

D

D

A

I

A

S

R

N

A

L

R

-

D

D

V

K

L

I

G

S

W

F

A

K

P

P

G

D

V

E

D

D

-

K

I

F

A

E

T

E

G

Q

V

L

A

R

R

E

T

T

V

V

D

K

F

W

F

F

active site: S120 (= S128), S121 (≠ G129), A122 (≠ S131), Y144 (= Y153), K148 (= K157), A187 (≠ G195)
binding (2R)-2-{[(2R,3R,4R,5S,6R)-3-(acetylamino)-2-{[(S)-{[(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}-5-hydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-4-yl]oxy}propanoic acid: A80 (≠ I88), S120 (= S128), S121 (≠ G129), Y144 (= Y153), F172 (≠ A181), N173 (= N182), A187 (≠ G195), V188 (= V196), K191 (≠ I199), V203 (≠ R211), I204 (≠ V212), Y205 (≠ F213), Q210 (≠ N218), R212 (= R220), I246 (≠ D256), R269 (= R279), D272 (= D282)
binding nicotinamide-adenine-dinucleotide: G10 (= G14), G13 (= G17), F14 (= F18), I15 (= I19), D33 (= D38), N34 (= N39), L35 (= L40), S36 (≠ V41), S37 (= S42), G38 (= G43), D57 (= D63), L58 (≠ I64), L76 (= L84), A77 (= A85), A78 (= A86), A80 (≠ I88), S118 (≠ T126), S119 (= S127), Y144 (= Y153), K148 (= K157), Y171 (≠ P180), V174 (= V183)
binding zinc ion: E209 (≠ G217), H275 (≠ R285)

6pmhA Structure of epimerase mth375 from the thermophilic pseudomurein- containing methanogen methanothermobacter thermautotrophicus
32% identity, 97% coverage: 8:316/318 of query aligns to 10:317/330 of 6pmhA

query
sites
6pmhA

K

K

K

C

V

V

L

L

V

V

T

T

G
|
G

G

G

A

A

G
|
G

F

C

I

V

G

G

S

S

T

N

L

L

V

T

D

G

R

N

L

L

I

A

A

K

E

A

G

G

Y

A

E

N

V

V

A

I

V

I

V

L

D
|
D

N
|
N

L

L

V
x
S

S
|
S

G
x
S

R

Y

R

E

E

W

N

N

L

I

A

P

K

E

A

Y

Q

E

E

-

T

-

G

-

K

N

L

I

S

E

F

F

H

V

Q

K

V

G

D
|
D

I
|
I

T

L

D

D

P

D

A

E

L

V

A

L

Q

K

I

R

V

V

E

F

N

K

E

E

A

R

P

P

H

D

T

Y

I

V

F

F

H

H

L

L

A
|
A

A

A

Q

H

I
x
F

D

A

V

N

R

Q

K

N

S

S

V

V

E

D

D

N

P

P

I

E

F

K

D

D

S

L

E

L

V

V

N

N

V

G

V

L

G

G

T

I

V

L

R

K

I

V

A

L

E

E

A

Y

A

A

R

Q

R

L

A

V

G

G

T

V

Q

E

R

R

I

F

V

V

F

Y

T

S

S

S

S
|
S

G

G

G
x
C

S
x
G

I

V

Y

Y

G

G

P

L

T

D

D

S

D

K

I

I

P

P

V

F

S

E

D

E

S

H

R

D

-

I

P

S

V

I

N

S

P

L

L

H

S

T

P

P

Y
|
Y

A

Q

A

V

G

T

K
|
K

V

L

A

L

G

G

E

E

I

L

Y

Y

L

T

E

N

M

Y

F

F

A

H

Q

N

L

L

Y

Y

G

E

I

M

S

P

W

I

A

V

A

N

V

A

A

R

P

F

A

F

N
|
N

V

V

Y

F

G

G

P

P

R

G

Q

E

N

V

P

P

H

G

G

K

E

Y

A
x
R

G
x
N

V
|
V

V

I

A

P

I

N

F
|
F

S

F

E

Y

R

W

L

A

L

M

A

N

G

Q

T

Q

P

P

T

L

R
x
P

V
x
I

F
x
T

G

G

D

D

G

G

G

S

N

E

T

T

R
|
R

D

D

Y

W

V

T

F

F

V

V

D

E

D

D

V

I

V

V

D

R

A

G

F

L

F

M

R

A

A

M

A

G

T

V

T

R

E

R

Q

E

A

A

A

I

G

G

L

E

R

A

F

I

N

N

I

L

G

G

T

S

G

G

V

T

E

E

T

H

S

Q

D
x
V

R

I

R

E

L

M

H

A

T

G

L

I

V

I

A

N

E

E

T

-

I

-

G

-

V

L

A

T

D

E

N

N

P

P

D

A

-

G

-

V

F

Y

A

R

P

P

P

R

R
|
R

L

D

G

W

D

D

V

A

A

K

R

T

S

R

A

L

L

L

D

S

A

S

A

I

-

D

R

K

A

A

R

R

D

R

V

L

L

L

G

D

W

Y

A

E

P

P

G

Q

V

V

D

S

I

F

A

R

T

E

G

G

V

L

A

E

R

R

T

T

V

H

D

R

F

W

F

F

active site: S127 (= S128), C129 (≠ G130), G130 (≠ S131), Y153 (= Y153), K157 (= K157)
binding adenosine monophosphate: G16 (= G14), G19 (= G17), D40 (= D38), N41 (= N39), S43 (≠ V41), S44 (= S42), S45 (≠ G43), D62 (= D63), I63 (= I64), A84 (= A85), F87 (≠ I88), R194 (≠ A194)
binding uridine-5'-diphosphate: C129 (≠ G130), N182 (= N182), N195 (≠ G195), V196 (= V196), F200 (= F200), P211 (≠ R211), I212 (≠ V212), T213 (≠ F213), R220 (= R220), V256 (≠ D256), R279 (= R279)

6pnlA Structure of epimerase mth375 from the thermophilic pseudomurein- containing methanogen methanothermobacter thermautotrophicus
32% identity, 97% coverage: 8:316/318 of query aligns to 16:323/336 of 6pnlA

query
sites
6pnlA

K

K

K

C

V

V

L

L

V

V

T

T

G
|
G

G

G

A

A

G
|
G

F
x
C

I

V

G

G

S

S

T

N

L

L

V

T

D

G

R

N

L

L

I

A

A

K

E

A

G

G

Y

A

E

N

V

V

A

I

V

I

V

L

D
|
D

N
|
N

L
|
L

V
x
S

S
|
S

G
x
S

R

Y

R

E

E

W

N

N

L

I

A

P

K

E

A

Y

Q

E

E

-

T

-

G

-

K

N

L

I

S

E

F

F

H

V

Q

K

V

G

D
|
D

I
|
I

T

L

D

D

P

D

A

E

L

V

A

L

Q

K

I

R

V

V

E

F

N

K

E

E

A

R

P

P

H

D

T

Y

I

V

F

F

H

H

L
|
L

A

A

A
|
A

Q

H

I
x
F

D

A

V

N

R

Q

K

N

S

S

V

V

E

D

D

N

P

P

I

E

F

K

D

D

S

L

E

L

V
|
V

N

N

V

G

V

L

G

G

T

I

V

L

R

K

I

V

A

L

E

E

A

Y

A

A

R

Q

R

L

A

V

G

G

T

V

Q

E

R

R

I

F

V

V

F

Y

T
x
S

S

S

S
|
S

G

G

G
x
C

S
x
G

I

V

Y

Y

G

G

P

L

T

D

D

S

D

K

I

I

P

P

V

F

S

E

D

E

S

H

R

D

-

I

P

S

V

I

N

S

P

L

L

H

S

T

P

P

Y
|
Y

A

Q

A

V

G

T

K
|
K

V

L

A

L

G

G

E

E

I

L

Y

Y

L

T

E

N

M

Y

F

F

A

H

Q

N

L

L

Y

Y

G

E

I

M

S

P

W

I

A

V

A

N

V

A

A

R

P
x
F

A

F

N
|
N

V
|
V

Y

F

G

G

P

P

R

G

Q

E

N

V

P

P

H

G

G

K

E

Y

A
x
R

G
x
N

V
|
V

V

I

A

P

I

N

F
|
F

S

F

E

Y

R

W

L

A

L

M

A

N

G

Q

T

Q

P

P

T

L

R
x
P

V
x
I

F
x
T

G

G

D

D

G

G

G

S

N

E

T

T

R
|
R

D

D

Y

W

V

T

F

F

V

V

D

E

D

D

V

I

V

V

D

R

A

G

F

L

F

M

R

A

A

M

A

G

T

V

T

R

E

R

Q

E

A

A

A

I

G

G

L

E

R

A

F

I

N

N

I

L

G

G

T

S

G

G

V

T

E

E

T

H

S

Q

D
x
V

R

I

R

E

L

M

H

A

T

G

L

I

V

I

A

N

E

E

T

-

I

-

G

-

V

L

A

T

D

E

N

N

P

P

D

A

-

G

-

V

F

Y

A

R

P

P

P

R

R
|
R

L

D

G

W

D

D

V

A

A

K

R

T

S

R

A

L

L

L

D

S

A

S

A

I

-

D

R

K

A

A

R

R

D

R

V

L

L

L

G

D

W

Y

A

E

P

P

G

Q

V

V

D

S

I

F

A

R

T

E

G

G

V

L

A

E

R

R

T

T

V

H

D

R

F

W

F

F

active site: S133 (= S128), C135 (≠ G130), G136 (≠ S131), Y159 (= Y153), K163 (= K157)
binding nicotinamide-adenine-dinucleotide: G22 (= G14), G25 (= G17), C26 (≠ F18), D46 (= D38), N47 (= N39), L48 (= L40), S49 (≠ V41), S50 (= S42), S51 (≠ G43), D68 (= D63), I69 (= I64), L89 (= L84), A91 (= A86), F93 (≠ I88), V108 (= V103), S131 (≠ T126), S133 (= S128), Y159 (= Y153), K163 (= K157), F186 (≠ P180), N188 (= N182), V189 (= V183), R200 (≠ A194)
binding uridine-5'-diphosphate: N188 (= N182), N201 (≠ G195), V202 (= V196), F206 (= F200), P217 (≠ R211), I218 (≠ V212), T219 (≠ F213), R226 (= R220), V262 (≠ D256), R285 (= R279)

1r6dA Crystal structure of desiv double mutant (dtdp-glucose 4,6- dehydratase) from streptomyces venezuelae with NAD and dau bound (see paper)
34% identity, 97% coverage: 9:318/318 of query aligns to 2:313/322 of 1r6dA

query
sites
1r6dA

K

R

V

L

L

L

V

V

T

T

G

G

A

A

G
|
G

F
|
F

I
|
I

G

G

S

S

T

H

L

F

V

V

D

R

R

Q

L

L

I

L

A

A

E

G

G

A

Y

Y

-

P

-

D

-

V

-

P

-

A

-

D

E

E

V

V

A

I

V

V

V

L

D
|
D

N
x
S

L
|
L

V
x
T

-

Y

S
x
A

G
|
G

R

N

R

R

E

A

N

N

L

L

A

A

K

P

A

V

Q

D

E

A

T

D

G

P

K

R

L

L

S

R

F

F

H

V

Q

H

V

G

D
|
D

I
|
I

T

R

D

D

P

A

A

G

L

L

A

L

Q

A

I

-

V

R

E

E

N

L

E

R

A

G

P

V

H

D

T

A

I

I

F

V

H

H

L
x
F

A
|
A

Q

E

I
x
S

D
x
H

V

V

R

D

K

R

S

S

V

I

E

A

D

G

P

A

I

S

F

V

D

F

S

T

E

E

V
x
T

N

N

V

V

V

Q

G

G

T

T

V

Q

R

T

I

L

A

L

E

Q

A

C

A

A

R

V

R

D

A

A

G

G

T

V

Q

G

R

R

I

V

V

V

F

H

T
x
V

S
|
S

S
x
T

G
x
N

G

-

S
x
Q

I

V

Y

Y

G

G

P

S

T

I

D

D

D

S

I

G

P

S

V

W

S

T

D

E

S

S

R

S

P

P

V

L

N

E

P

P

L

N

S

S

P

P

Y
|
Y

A

A

G

S

K
|
K

V

A

A

G

G

S

E

D

I

L

Y

V

L

A

E

R

M

A

F

Y

A

H

Q

R

L

T

Y

Y

G

G

I

L

S

D

W

V

A

R

A

I

V

T

A

R

P

C

A

C

N
|
N

V
x
N

Y

Y

G

G

P

P

R

Y

Q

Q

N

H

P

P

H

E

G

-

E

-

A

-

G
x
K

V
x
L

V

I

A

P

I

L

F

F

S

V

E

T

R

N

L

L

A

D

G

G

T

G

P

T

T

L

R
x
P

V

L

F
x
Y

G

G

D

D

G

G

G

A

N

N

T

V

R
|
R

D

E

Y

W

V

V

F

H

V

T

D

D

V

H

V

C

D

R

A

G

F

I

F

A

R

L

A

V

A

L

T

A

T

G

E

G

Q

R

A

A

A

G

G

E

L

I

R

-

F

Y

N

H

I

I

G

G

T

G

G

G

V

L

E

E

T

L

S

T

D
x
N

R

R

R

E

L

L

H

T

T

G

L

I

V

L

A

L

E

D

T

S

I

L

G

G

V

-

A

A

D

D

N

W

P

S

D

S

F

V

-

R

-

K

A

V

P

A

P

D

R
|
R

L

K

G

G

D
x
H

V

D

A

L

R

R

S
x
Y

A

S

L

L

D

D

A

G

R

K

A

I

R

E

D

R

V

E

L

L

G

G

W

Y

A

R

P

P

G

Q

V

V

D

S

I

F

A

A

T

D

G

G

V

L

A

A

R

R

T

T

V

V

D

R

F

W

F

Y

R

R

K

E

active site: T127 (≠ S128), N128 (≠ G129), Q129 (≠ S131), Y151 (= Y153), K155 (= K157)
binding 2'deoxy-thymidine-5'-diphospho-alpha-d-glucose: S87 (≠ I88), H88 (≠ D89), T127 (≠ S128), N128 (≠ G129), Q129 (≠ S131), Y151 (= Y153), N180 (= N182), K190 (≠ G195), L191 (≠ V196), P206 (≠ R211), Y208 (≠ F213), R215 (= R220), N250 (≠ D256), R274 (= R279), H277 (≠ D282), Y281 (≠ S286)
binding nicotinamide-adenine-dinucleotide: G10 (= G17), F11 (= F18), I12 (= I19), D37 (= D38), S38 (≠ N39), L39 (= L40), T40 (≠ V41), A42 (≠ S42), G43 (= G43), D63 (= D63), I64 (= I64), F83 (≠ L84), A84 (= A85), A85 (= A86), S87 (≠ I88), T102 (≠ V103), V125 (≠ T126), S126 (= S127), Y151 (= Y153), K155 (= K157), N181 (≠ V183)

1r66A Crystal structure of desiv (dtdp-glucose 4,6-dehydratase) from streptomyces venezuelae with NAD and tyd bound (see paper)
34% identity, 97% coverage: 9:318/318 of query aligns to 2:313/322 of 1r66A

query
sites
1r66A

K

R

V

L

L

L

V

V

T

T

G

G

A

A

G
|
G

F
|
F

I
|
I

G

G

S

S

T

H

L

F

V

V

D

R

R

Q

L

L

I

L

A

A

E

G

G

A

Y

Y

-

P

-

D

-

V

-

P

-

A

-

D

E

E

V

V

A

I

V

V

V

L

D
|
D

N
x
S

L
|
L

V
x
T

-

Y

S

A

G
|
G

R

N

R

R

E

A

N

N

L

L

A

A

K

P

A

V

Q

D

E

A

T

D

G

P

K

R

L

L

S

R

F

F

H

V

Q

H

V

G

D
|
D

I
|
I

T

R

D

D

P

A

A

G

L

L

A

L

Q

A

I

-

V

R

E

E

N

L

E

R

A

G

P

V

H

D

T

A

I

I

F

V

H

H

L
x
F

A
|
A

Q

E

I
x
S

D
x
H

V

V

R

D

K

R

S

S

V

I

E

A

D

G

P

A

I

S

F

V

D

F

S

T

E

E

V
x
T

N

N

V

V

V

Q

G

G

T

T

V

Q

R

T

I

L

A

L

E

Q

A

C

A

A

R

V

R

D

A

A

G

G

T

V

Q

G

R

R

I

V

V

V

F

H

T
x
V

S
|
S

S
x
T

G
x
D

G

-

S
x
E

I

V

Y

Y

G

G

P

S

T

I

D

D

D

S

I

G

P

S

V

W

S

T

D

E

S

S

R

S

P

P

V

L

N

E

P

P

L

N

S

S

P

P

Y
|
Y

A

A

G

S

K
|
K

V

A

A

G

G

S

E

D

I

L

Y

V

L

A

E

R

M

A

F

Y

A

H

Q

R

L

T

Y

Y

G

G

I

L

S

D

W

V

A

R

A

I

V

T

A

R

P

C

A

C

N
|
N

V
x
N

Y

Y

G

G

P

P

R

Y

Q

Q

N

H

P

P

H

E

G

-

E

-

A

-

G
x
K

V
x
L

V

I

A

P

I

L

F

F

S

V

E

T

R

N

L

L

A

D

G

G

T

G

P

T

T

L

R
x
P

V

L

F
x
Y

G

G

D

D

G

G

G

A

N

N

T

V

R
|
R

D

E

Y

W

V

V

F

H

V

T

D

D

V

H

V

C

D

R

A

G

F

I

F

A

R

L

A

V

A

L

T

A

T

G

E

G

Q

R

A

A

A

G

G

E

L

I

R

-

F

Y

N

H

I

I

G

G

T

G

G

G

V

L

E

E

T

L

S

T

D
x
N

R

R

R

E

L

L

H

T

T

G

L

I

V

L

A

L

E

D

T

S

I

L

G

G

V

-

A

A

D

D

N

W

P

S

D

S

F

V

-

R

-

K

A

V

P

A

P

D

R
|
R

L

K

G

G

D
x
H

V

D

A

L

R

R

S

Y

A

S

L

L

D

D

A

G

R

K

A

I

R

E

D

R

V

E

L

L

G

G

W

Y

A

R

P

P

G

Q

V

V

D

S

I

F

A

A

T

D

G

G

V

L

A

A

R

R

T

T

V

V

D

R

F

W

F

Y

R

R

K

E

active site: T127 (≠ S128), D128 (≠ G129), E129 (≠ S131), Y151 (= Y153), K155 (= K157)
binding nicotinamide-adenine-dinucleotide: G10 (= G17), F11 (= F18), I12 (= I19), D37 (= D38), S38 (≠ N39), L39 (= L40), T40 (≠ V41), G43 (= G43), D63 (= D63), I64 (= I64), F83 (≠ L84), A84 (= A85), A85 (= A86), S87 (≠ I88), T102 (≠ V103), V125 (≠ T126), S126 (= S127), Y151 (= Y153), K155 (= K157), N181 (≠ V183)
binding thymidine-5'-diphosphate: H88 (≠ D89), E129 (≠ S131), N180 (= N182), K190 (≠ G195), L191 (≠ V196), P206 (≠ R211), Y208 (≠ F213), R215 (= R220), N250 (≠ D256), R274 (= R279), H277 (≠ D282)

1sb9A Crystal structure of pseudomonas aeruginosa udp-n-acetylglucosamine 4- epimerase complexed with udp-glucose (see paper)
32% identity, 97% coverage: 7:316/318 of query aligns to 15:335/340 of 1sb9A

query
sites
1sb9A

P

P

K

K

K

V

V

W

L

L

V

I

T

T

G
|
G

G

V

A

A

G
|
G

F
|
F

I
|
I

G

G

S

S

T

N

L

L

V

L

D

E

R

T

L

L

I

L

A

K

E

L

G

D

Y

Q

E

K

V

V

A

V

V

G

V

L

D
|
D

N
|
N

L
x
F

V

A

S
x
T

G
|
G

R

H

R

Q

E

R

N

N

L

L

-

D

-

E

-

V

-

R

-

S

-

L

A

V

K

S

A

E

Q

K

E

Q

T

W

G

S

K

N

L

F

S

K

F

F

H

I

Q

Q

V

G

D
|
D

I
|
I

-

R

-

N

-

L

-

D

T

C

D

N

P

N

A

A

L

C

A

A

Q

G

I

V

V

-

E

-

N

-

E

-

A

-

P

-

H

D

T

Y

I

V

F

L

H

H

L
x
Q

A

A

A
|
A

Q

L

I

G

D

S

V

V

R

P

K

R

S

S

V

I

E

N

D

D

P

P

I

I

F

T

D

S

S

N

E

A

V
x
T

N

N

V

I

V

D

G

G

T

F

V

L

R

N

I

M

A

L

E

I

A

A

R

R

R

D

A

A

G

K

T

V

Q

Q

R

S

I

F

V

T

F

Y

T
x
A

S
x
A

S
|
S

G
x
S

G

-

S
|
S

I

T

Y

Y

G

G

P

D

T

H

D

P

D

G

I

L

P

P

V

K

S

V

D

E

S

D

R

T

P

I

V

G

N

K

P

P

L

L

S

S

P

P

Y
|
Y

A

A

A

V

G

T

K
|
K

V

Y

A

V

G

N

E

E

I

L

Y

Y

L

A

E

D

M

V

F

F

A

S

Q

R

L

C

Y

Y

G

G

I

F

S

S

W

T

A

I

A

G

V

L

A

R

P
x
Y

A

F

N
|
N

V
|
V

Y

F

G

G

P

R

R

R

Q

Q

N

D

P

P

H
x
N

G

G

E

A

-

Y

A

A

G
x
A

V
|
V

V

I

A

P

I

K

F
x
W

S

T

E

S

R

S

L

M

L

I

A

Q

G

G

T

D

P

D

T

V

R
x
Y

V
x
I

F
x
N

G

G

D

D

G

G

G

E

N

T

T

S

R

R

D

D

Y

F

V

C

F

Y

V

I

D

E

D

N

V

T

V

V

D

Q

A

A

F

N

F

L

R

L

A

A

T

T

T

A

-

G

E

L

Q

D

A

A

A

R

G

N

L

Q

R

V

F

Y

N

N

I

I

G

A

T

V

G

G

V

G

E

R

T

T

S

S

D
x
L

R

N

R

Q

L

L

H

-

T

-

L

F

V

F

A

A

E

L

T

R

I

D

G

G

V

L

A

A

D

E

N

N

-

G

-

V

-

S

-

Y

-

H

-

R

-

E

P

P

D

V

F

Y

A

R

P

D

P

F

R
|
R

L

E

G

G

D
|
D

V

V

A

R

R

H

S

S

A

L

L

A

D

D

A

I

A

S

R

K

A

A

R

A

D

K

V

L

L

L

G

G

W

Y

A

A

P

P

G

K

V

Y

D

D

I

V

A

S

T

A

G

G

V

V

A

A

R

L

T

A

V

M

D

P

F

W

F

Y

active site: S141 (= S128), S142 (≠ G129), S143 (= S131), Y165 (= Y153), K169 (= K157), N203 (≠ H191)
binding nicotinamide-adenine-dinucleotide: G22 (= G14), G25 (= G17), F26 (= F18), I27 (= I19), D46 (= D38), N47 (= N39), F48 (≠ L40), T50 (≠ S42), G51 (= G43), D77 (= D63), I78 (= I64), Q97 (≠ L84), A99 (= A86), T116 (≠ V103), A139 (≠ T126), A140 (≠ S127), Y165 (= Y153), K169 (= K157), Y192 (≠ P180), N194 (= N182), V195 (= V183)
binding uridine-5'-diphosphate-glucose: S141 (= S128), Y165 (= Y153), N194 (= N182), A208 (≠ G195), V209 (= V196), W213 (≠ F200), Y224 (≠ R211), I225 (≠ V212), N226 (≠ F213), L270 (≠ D256), R298 (= R279), D301 (= D282)

1sb8A Crystal structure of pseudomonas aeruginosa udp-n-acetylglucosamine 4- epimerase complexed with udp-n-acetylgalactosamine (see paper)
32% identity, 97% coverage: 7:316/318 of query aligns to 16:336/341 of 1sb8A

query
sites
1sb8A

P

P

K

K

K

V

V

W

L

L

V

I

T

T

G
|
G

G

V

A

A

G
|
G

F
|
F

I
|
I

G

G

S

S

T

N

L

L

V

L

D

E

R

T

L

L

I

L

A

K

E

L

G

D

Y

Q

E

K

V

V

A

V

V

G

V

L

D
|
D

N
|
N

L
x
F

V

A

S
x
T

G
|
G

R

H

R

Q

E

R

N

N

L

L

-

D

-

E

-

V

-

R

-

S

-

L

A

V

K

S

A

E

Q

K

E

Q

T

W

G

S

K

N

L

F

S

K

F

F

H

I

Q

Q

V

G

D
|
D

I
|
I

-

R

-

N

-

L

-

D

T

C

D

N

P

N

A

A

L

C

A

A

Q

G

I

V

V

-

E

-

N

-

E

-

A

-

P

-

H

D

T

Y

I

V

F

L

H

H

L
x
Q

A

A

A
|
A

Q

L

I

G

D
x
S

V

V

R

P

K

R

S

S

V

I

E

N

D

D

P

P

I

I

F

T

D

S

S

N

E

A

V
x
T

N

N

V

I

V

D

G

G

T

F

V

L

R

N

I

M

A

L

E

I

A

A

R

R

R

D

A

A

G

K

T

V

Q

Q

R

S

I

F

V

T

F

Y

T
x
A

S
x
A

S
|
S

G
x
S

G

-

S
|
S

I

T

Y

Y

G

G

P

D

T

H

D

P

D

G

I

L

P

P

V

K

S

V

D

E

S

D

R

T

P

I

V

G

N

K

P

P

L

L

S

S

P

P

Y
|
Y

A

A

A

V

G

T

K
|
K

V

Y

A

V

G

N

E

E

I

L

Y

Y

L

A

E

D

M

V

F

F

A

S

Q

R

L

C

Y

Y

G

G

I

F

S

S

W

T

A

I

A

G

V

L

A

R

P
x
Y

A

F

N
|
N

V
|
V

Y

F

G

G

P

R

R

R

Q

Q

N

D

P

P

H
x
N

G

G

E

A

-

Y

A

A

G
x
A

V
|
V

V

I

A

P

I

K

F
x
W

S

T

E

S

R

S

L

M

L

I

A

Q

G

G

T

D

P

D

T

V

R
x
Y

V
x
I

F
x
N

G

G

D

D

G

G

G

E

N

T

T

S

R
|
R

D

D

Y

F

V

C

F

Y

V

I

D

E

D

N

V

T

V

V

D

Q

A

A

F

N

F

L

R

L

A

A

T

T

T

A

-

G

E

L

Q

D

A

A

A

R

G

N

L

Q

R

V

F

Y

N

N

I

I

G

A

T

V

G

G

V

G

E

R

T

T

S

S

D
x
L

R

N

R

Q

L

L

H

-

T

-

L

F

V

F

A

A

E

L

T

R

I

D

G

G

V

L

A

A

D

E

N

N

-

G

-

V

-

S

-

Y

-

H

-

R

-

E

P

P

D

V

F

Y

A

R

P

D

P

F

R
|
R

L

E

G

G

D
|
D

V

V

A

R

R

H

S
|
S

A

L

L

A

D

D

A

I

A

S

R

K

A

A

R

A

D

K

V

L

L

L

G

G

W

Y

A

A

P

P

G

K

V

Y

D

D

I

V

A

S

T

A

G

G

V

V

A

A

R

L

T

A

V

M

D

P

F

W

F

Y

active site: S142 (= S128), S143 (≠ G129), S144 (= S131), Y166 (= Y153), K170 (= K157), N204 (≠ H191)
binding nicotinamide-adenine-dinucleotide: G23 (= G14), G26 (= G17), F27 (= F18), I28 (= I19), D47 (= D38), N48 (= N39), F49 (≠ L40), T51 (≠ S42), G52 (= G43), D78 (= D63), I79 (= I64), Q98 (≠ L84), A100 (= A86), T117 (≠ V103), A140 (≠ T126), A141 (≠ S127), Y166 (= Y153), K170 (= K157), Y193 (≠ P180), N195 (= N182), V196 (= V183)
binding uridine-diphosphate-n-acetylgalactosamine: S103 (≠ D89), S142 (= S128), S143 (≠ G129), S144 (= S131), Y166 (= Y153), N195 (= N182), A209 (≠ G195), V210 (= V196), W214 (≠ F200), Y225 (≠ R211), I226 (≠ V212), N227 (≠ F213), R234 (= R220), L271 (≠ D256), R299 (= R279), D302 (= D282), S306 (= S286)

Q8KN66 UDP-N-acetyl-alpha-D-glucosaminouronate 4-epimerase; UDP-GlcNAcA 4-epimerase; UDP-N-acetylglucosamine C4 epimerase; UDP-GlcNAc C4 epimerase; EC 5.1.3.45; EC 5.1.3.7 from Pseudomonas aeruginosa (see 2 papers)
32% identity, 97% coverage: 7:316/318 of query aligns to 16:336/341 of Q8KN66

query
sites
Q8KN66

P

P

K

K

K

V

V

W

L

L

V

I

T

T

G

G

G

V

A

A

G

G

F
|
F

I
|
I

G

G

S

S

T

N

L

L

V

L

D

E

R

T

L

L

I

L

A

K

E

L

G

D

Y

Q

E

K

V

V

A

V

V

G

V

L

D
|
D

N

N

L

F

V
x
A

S
x
T

G
|
G

R

H

R

Q

E

R

N

N

L

L

-

D

-

E

-

V

-

R

-

S

-

L

A

V

K

S

A

E

Q

K

E

Q

T

W

G

S

K

N

L

F

S

K

F

F

H

I

Q

Q

V

G

D
|
D

I
|
I

-

R

-

N

-

L

-

D

T

C

D

N

P

N

A

A

L

C

A

A

Q

G

I

V

V

-

E

-

N

-

E

-

A

-

P

-

H

D

T

Y

I

V

F

L

H

H

L
x
Q

A

A

Q

L

I
x
G

D
x
S

V

V

R

P

K

R

S

S

V

I

E

N

D

D

P

P

I

I

F

T

D

S

S

N

E

A

V
x
T

N

N

V

I

V

D

G

G

T

F

V

L

R

N

I

M

A

L

E

I

A

A

R

R

R

D

A

A

G

K

T

V

Q

Q

R

S

I

F

V

T

F

Y

T

A

S

A

S
|
S

G
x
S

G

-

S
|
S

I

T

Y

Y

G

G

P

D

T

H

D

P

D

G

I

L

P

P

V

K

S

V

D

E

S

D

R

T

P

I

V

G

N

K

P

P

L

L

S

S

P

P

Y
|
Y

A

A

A

V

G

T

K
|
K

V

Y

A

V

G

N

E

E

I

L

Y

Y

L

A

E

D

M

V

F

F

A

S

Q

R

L

C

Y

Y

G

G

I

F

S

S

W

T

A

I

A

G

V

L

A

R

P

Y

A

F

N
|
N

V
|
V

Y

F

G

G

P

R

R

R

Q
|
Q

N

D

P

P

H

N

G

G

E

A

-

Y

A

A

G
x
A

V
|
V

V

I

A

P

I

K

F

W

S

T

E

S

R

S

L

M

L

I

A

Q

G

G

T

D

P

D

T

V

R
x
Y

V

I

F
x
N

G

G

D

D

G

G

G

E

N

T

T

S

R
|
R

D

D

Y

F

V

C

F

Y

V

I

D

E

D

N

V

T

V

V

D

Q

A

A

F

N

F

L

R

L

A

A

T

T

T

A

-

G

E

L

Q

D

A

A

A

R

G

N

L

Q

R

V

F

Y

N

N

I

I

G

A

T

V

G

G

V

G

E

R

T

T

S

S

D

L

R

N

R

Q

L

L

H

-

T

-

L

F

V

F

A

A

E

L

T

R

I

D

G

G

V

L

A

A

D

E

N

N

-

G

-

V

-

S

-

Y

-

H

-

R

-

E

P

P

D

V

F

Y

A

R

P

D

P

F

R
|
R

L

E

G

G

D
|
D

V

V

A

R

R

H

S
|
S

A

L

L

A

D

D

A

I

A

S

R

K

A

A

R

A

D

K

V

L

L

L

G

G

W

Y

A

A

P

P

G

K

V

Y

D

D

I

V

A

S

T

A

G

G

V

V

A

A

R

L

T

A

V

M

D

P

F

W

F

Y

F27 (= F18) binding NAD(+)
I28 (= I19) binding NAD(+)
D47 (= D38) binding NAD(+)
A50 (≠ V41) binding NAD(+)
T51 (≠ S42) binding NAD(+)
G52 (= G43) binding NAD(+)
D78 (= D63) binding NAD(+)
I79 (= I64) binding NAD(+)
Q98 (≠ L84) binding NAD(+)
G102 (≠ I88) mutation to K: Shows a reduced activity towards UDP-GlcNAc while maintaining the same level of activity towards UDP-GalNAc. Loss of activity on UDP-Glc and UDP-Gal.
S103 (≠ D89) binding UDP-N-acetyl-alpha-D-galactosamine
T117 (≠ V103) binding NAD(+)
S142 (= S128) binding UDP-N-acetyl-alpha-D-galactosamine
S143 (≠ G129) binding UDP-N-acetyl-alpha-D-galactosamine; mutation to A: Shows normal activity on N-acetylated substrates, but shows no activity on UDP-Gal and UDP-Glc.
S144 (= S131) mutation to K: Loss of activity.
Y166 (= Y153) binding NAD(+); binding UDP-N-acetyl-alpha-D-galactosamine
K170 (= K157) binding NAD(+)
N195 (= N182) binding UDP-N-acetyl-alpha-D-galactosamine
V196 (= V183) binding NAD(+)
Q201 (= Q188) mutation to E: Does not affect conversion of acetylated substrates, but severely impairs the ability to catalyze conversion of non-acetylated substrates, rendering the mutant more specific for N-acetylated substrates than the wild-type.
A209 (≠ G195) mutation to H: Alters substrate specificity. Mutant is much less efficient in catalyzing the epimerization of N-acetylated hexose moieties and is more efficient in catalyzing the reaction for non-acetylated hexoses.; mutation to N: Enhances the specificity for acetylated substrates, and this is accompanied by a decrease in catalytic efficiency. Strongly impaired in its ability to use non-acetylated substrates.
V210 (= V196) binding UDP-N-acetyl-alpha-D-galactosamine
Y225 (≠ R211) binding UDP-N-acetyl-alpha-D-galactosamine
N227 (≠ F213) binding UDP-N-acetyl-alpha-D-galactosamine
R234 (= R220) binding UDP-N-acetyl-alpha-D-galactosamine
R299 (= R279) binding UDP-N-acetyl-alpha-D-galactosamine
D302 (= D282) binding UDP-N-acetyl-alpha-D-galactosamine
S306 (= S286) mutation to Y: Loss of activity.

3ruhA Alternative analogs as viable substrates of udp-hexose 4-epimerases
30% identity, 98% coverage: 6:316/318 of query aligns to 15:331/336 of 3ruhA

query
sites
3ruhA

N

S

P

P

K

K

K

T

V

W

L

L

V

I

T

T

G
|
G

G

V

A

A

G
|
G

F
|
F

I
|
I

G

G

S

S

T

N

L

L

V

L

D

E

R

K

L

L

I

L

A

K

E

L

G

N

Y

Q

E

V

V

V

A

I

V

G

V

L

D
|
D

N
|
N

L

F

V
x
S

S
x
T

G
|
G

R

H

R

Q

E

Y

N

N

L

L

-

D

-

E

-

V

-

K

-

T

-

L

A

V

K

S

A

T

Q

E

E

Q

T

W

G

S

K

R

L

F

S

C

F

F

H

I

Q

E

V

G

D
|
D

I
|
I

T

R

D

D

P

L

A

T

L

T

A

C

Q

E

I

Q

V

V

E

M

N

K

E

G

A

V

P

D

H

H

T

-

I

V

F

L

H

H

L
x
Q

A
|
A

Q

L

I
x
G

D
x
S

V

V

R

P

K

R

S

S

V

I

E

V

D

D

P

P

I

I

F

T

D

T

S

N

E

A

V
x
T

N

N

V

I

V

T

G

G

T

F

V

L

R

N

I

I

A

L

E

H

A

A

R

K

R

N

A

A

G

Q

T

V

Q

Q

R

S

I

F

V

T

F

Y

T
x
A

S
x
A

S
|
S

G
x
S

G

-

S
|
S

I

T

Y

Y

G

G

P

D

T

H

D

P

D

A

I

L

P

P

V

K

S

V

D

E

S

E

R

N

P

I

V

G

N

N

P

P

L

L

S

S

P

P

Y
|
Y

A

A

A

V

G

T

K
|
K

V

Y

A

V

G

N

E

E

I

I

Y

Y

L

A

E

Q

M

V

F

Y

A

A

Q

R

L

T

Y

Y

G

G

I

F

S

K

W

T

A

I

A

G

V

L

A

R

P
x
Y

A

F

N
|
N

V
|
V

Y

F

G

G

P

R

R

R

Q

Q

N

D

P

P

H
x
N

G

G

-

A

E

Y

A

A

G
x
A

V
|
V

V

I

A

P

I
x
K

F
x
W

S

T

E

A

R

A

L

M

L

L

A

K

G

G

T

D

P

D

T

V

R
x
Y

V
x
I

F
x
N

G

G

D

D

G

G

G

E

N

T

T

S

R
|
R

D

D

Y

F

V

C

F

Y

V

I

D

D

D

N

V

V

V

I

D

Q

A

M

F

N

F

I

R

L

A

S

A

A

T

L

T

A

E

K

Q

D

A

S

A

A

G

K

L

D

R

N

-

I

F

Y

N

N

I

V

G

A

T

V

G

G

V

D

E

R

T

T

S

T

D
x
L

R

N

R

E

L

L

H

S

T

G

L

Y

V

I

A

Y

E

D

T

E

I

L

G

N

V

L

A

I

D

H

N

H

P

I

D

K

F

Y

A

R

P

E

P

F

R
|
R

L

S

G

G

D
|
D

V
|
V

A

R

R

H

S
|
S

A

Q

L

A

D

D

A

V

A

T

R

K

A

A

R

I

D

D

V

L

L

L

G

K

W

Y

A

R

P

P

G

N

V

I

D

K

I

I

A

R

T

E

G

G

V

L

A

R

R

L

T

S

V

M

D

P

F

W

F

Y

active site: S142 (= S128), S143 (≠ G129), S144 (= S131), Y166 (= Y153), K170 (= K157), N204 (≠ H191)
binding nicotinamide-adenine-dinucleotide: G23 (= G14), G26 (= G17), F27 (= F18), I28 (= I19), D47 (= D38), N48 (= N39), S50 (≠ V41), T51 (≠ S42), G52 (= G43), D78 (= D63), I79 (= I64), Q98 (≠ L84), A99 (= A85), A100 (= A86), T117 (≠ V103), A140 (≠ T126), A141 (≠ S127), S142 (= S128), Y166 (= Y153), K170 (= K157), Y193 (≠ P180), V196 (= V183)
binding [[(2R,3S,4R,5R)-5-[2,4-bis(oxidanylidene)pyrimidin-1-yl]-3,4-bis(oxidanyl)oxolan-2-yl]methoxy-oxidanyl-phosphoryl][(2R,3R,4R,5R,6R)-6-(hydroxymethyl)-4,5-bis(oxidanyl)-3-(2-oxidanylidenepropyl)oxan-2-yl] hydrogen phosphate: G102 (≠ I88), S103 (≠ D89), S142 (= S128), S143 (≠ G129), S144 (= S131), Y166 (= Y153), Y193 (≠ P180), N195 (= N182), A209 (≠ G195), V210 (= V196), K213 (≠ I199), W214 (≠ F200), Y225 (≠ R211), I226 (≠ V212), N227 (≠ F213), R234 (= R220), L271 (≠ D256), R294 (= R279), D297 (= D282), V298 (= V283), S301 (= S286)

3rufA Alternative analogs as viable substrates of udp-hexose 4-epimerases
30% identity, 98% coverage: 6:316/318 of query aligns to 15:331/336 of 3rufA

query
sites
3rufA

N

S

P

P

K

K

K

T

V

W

L

L

V

I

T

T

G
|
G

G

V

A

A

G
|
G

F
|
F

I
|
I

G

G

S

S

T

N

L

L

V

L

D

E

R

K

L

L

I

L

A

K

E

L

G

N

Y

Q

E

V

V

V

A

I

V

G

V

L

D
|
D

N
|
N

L

F

V
x
S

S
x
T

G
|
G

R

H

R

Q

E

Y

N

N

L

L

-

D

-

E

-

V

-

K

-

T

-

L

A

V

K

S

A

T

Q

E

E

Q

T

W

G

S

K

R

L

F

S

C

F

F

H

I

Q

E

V

G

D
|
D

I
|
I

T

R

D

D

P

L

A

T

L

T

A

C

Q

E

I

Q

V

V

E

M

N

K

E

G

A

V

P

D

H

H

T

-

I

V

F

L

H

H

L
x
Q

A
|
A

Q

L

I

G

D

S

V

V

R

P

K

R

S

S

V

I

E

V

D

D

P

P

I

I

F

T

D

T

S

N

E

A

V
x
T

N

N

V

I

V

T

G

G

T

F

V

L

R

N

I

I

A

L

E

H

A

A

R

K

R

N

A

A

G

Q

T

V

Q

Q

R

S

I

F

V

T

F

Y

T
x
A

S

A

S
|
S

G
x
S

G

-

S
|
S

I

T

Y

Y

G

G

P

D

T

H

D

P

D

A

I

L

P

P

V

K

S

V

D

E

S

E

R

N

P

I

V

G

N

N

P

P

L

L

S

S

P

P

Y
|
Y

A

A

A

V

G

T

K
|
K

V

Y

A

V

G

N

E

E

I

I

Y

Y

L

A

E

Q

M

V

F

Y

A

A

Q

R

L

T

Y

Y

G

G

I

F

S

K

W

T

A

I

A

G

V

L

A

R

P
x
Y

A

F

N
|
N

V
|
V

Y

F

G

G

P

R

R

R

Q

Q

N

D

P

P

H
x
N

G

G

-

A

E

Y

A

A

G
x
A

V
|
V

V

I

A

P

I
x
K

F
x
W

S

T

E

A

R

A

L

M

L

L

A

K

G

G

T

D

P

D

T

V

R
x
Y

V
x
I

F
x
N

G

G

D

D

G

G

G

E

N

T

T

S

R
|
R

D

D

Y

F

V

C

F

Y

V

I

D

D

D

N

V

V

V

I

D

Q

A

M

F

N

F

I

R

L

A

S

A

A

T

L

T

A

E

K

Q

D

A

S

A

A

G

K

L

D

R

N

-

I

F

Y

N

N

I

V

G

A

T

V

G

G

V

D

E

R

T

T

S

T

D
x
L

R

N

R

E

L

L

H

S

T

G

L

Y

V

I

A

Y

E

D

T

E

I

L

G

N

V

L

A

I

D

H

N

H

P

I

D

K

F

Y

A

R

P

E

P

F

R
|
R

L

S

G

G

D
|
D

V

V

A

R

R

H

S

S

A

Q

L

A

D

D

A

V

A

T

R

K

A

A

R

I

D

D

V

L

L

L

G

K

W

Y

A

R

P

P

G

N

V

I

D

K

I

I

A

R

T

E

G

G

V

L

A

R

R

L

T

S

V

M

D

P

F

W

F

Y

active site: S142 (= S128), S143 (≠ G129), S144 (= S131), Y166 (= Y153), K170 (= K157), N204 (≠ H191)
binding nicotinamide-adenine-dinucleotide: G23 (= G14), G26 (= G17), F27 (= F18), I28 (= I19), D47 (= D38), N48 (= N39), S50 (≠ V41), T51 (≠ S42), G52 (= G43), D78 (= D63), I79 (= I64), Q98 (≠ L84), A99 (= A85), A100 (= A86), T117 (≠ V103), A140 (≠ T126), Y166 (= Y153), K170 (= K157), Y193 (≠ P180), V196 (= V183)
binding uridine-5'-diphosphate: N195 (= N182), A209 (≠ G195), V210 (= V196), K213 (≠ I199), W214 (≠ F200), Y225 (≠ R211), I226 (≠ V212), N227 (≠ F213), R234 (= R220), L271 (≠ D256), R294 (= R279), D297 (= D282)

3lu1A Crystal structure analysis of wbgu: a udp-galnac 4-epimerase (see paper)
30% identity, 98% coverage: 6:316/318 of query aligns to 15:331/336 of 3lu1A

query
sites
3lu1A

N

S

P

P

K

K

K

T

V

W

L

L

V

I

T

T

G
|
G

G

V

A

A

G
|
G

F
|
F

I
|
I

G

G

S

S

T

N

L

L

V

L

D

E

R

K

L

L

I

L

A

K

E

L

G

N

Y

Q

E

V

V

V

A

I

V

G

V

L

D
|
D

N
|
N

L

F

V
x
S

S
x
T

G
|
G

R

H

R

Q

E

Y

N

N

L

L

-

D

-

E

-

V

-

K

-

T

-

L

A

V

K

S

A

T

Q

E

E

Q

T

W

G

S

K

R

L

F

S

C

F

F

H

I

Q

E

V

G

D
|
D

I
|
I

T

R

D

D

P

L

A

T

L

T

A

C

Q

E

I

Q

V

V

E

M

N

K

E

G

A

V

P

D

H

H

T

-

I

V

F

L

H

H

L
x
Q

A
|
A

Q

L

I

G

D
x
S

V

V

R

P

K

R

S

S

V

I

E

V

D

D

P

P

I

I

F

T

D

T

S

N

E

A

V

T

N

N

V

I

V

T

G

G

T

F

V

L

R

N

I

I

A

L

E

H

A

A

R

K

R

N

A

A

G

Q

T

V

Q
|
Q

R

S

I

F

V

T

F

Y

T
x
A

S
x
A

S
|
S

G
x
S

G

-

S
|
S

I

T

Y

Y

G

G

P

D

T

H

D

P

D

A

I

L

P

P

V

K

S

V

D

E

S

E

R

N

P

I

V

G

N

N

P

P

L

L

S

S

P

P

Y
|
Y

A

A

A

V

G

T

K
|
K

V

Y

A

V

G

N

E

E

I

I

Y

Y

L

A

E

Q

M

V

F

Y

A

A

Q

R

L

T

Y

Y

G

G

I

F

S
x
K

W

T

A

I

A

G

V

L

A

R

P
x
Y

A

F

N
|
N

V

V

Y

F

G

G

P

R

R

R

Q

Q

N

D

P

P

H
x
N

G

G

-

A

E

Y

A

A

G

A

V
|
V

V

I

A

P

I

K

F
x
W

S

T

E

A

R

A

L

M

L

L

A

K

G

G

T

D

P

D

T

V

R
x
Y

V
x
I

F
x
N

G

G

D

D

G

G

G

E

N

T

T

S

R
|
R

D

D

Y

F

V

C

F

Y

V

I

D

D

D

N

V

V

V

I

D

Q

A

M

F

N

F

I

R

L

A

S

A

A

T

L

T

A

E

K

Q

D

A

S

A

A

G

K

L

D

R

N

-

I

F

Y

N

N

I

V

G

A

T

V

G

G

V

D

E

R

T

T

S

T

D
x
L

R

N

R

E

L

L

H

S

T

G

L

Y

V

I

A

Y

E

D

T

E

I

L

G

N

V

L

A

I

D

H

N

H

P

I

D

K

F

Y

A

R

P

E

P

F

R
|
R

L

S

G

G

D
|
D

V

V

A

R

R

H

S

S

A

Q

L

A

D

D

A

V

A

T

R

K

A

A

R

I

D

D

V

L

L

L

G

K

W

Y

A

R

P

P

G

N

V

I

D

K

I

I

A

R

T

E

G

G

V

L

A

R

R

L

T

S

V

M

D

P

F

W

F

Y

active site: S142 (= S128), S143 (≠ G129), S144 (= S131), Y166 (= Y153), K170 (= K157), N204 (≠ H191)
binding glycine: Q135 (= Q121), K187 (≠ S174)
binding nicotinamide-adenine-dinucleotide: G23 (= G14), G26 (= G17), F27 (= F18), I28 (= I19), D47 (= D38), N48 (= N39), S50 (≠ V41), T51 (≠ S42), G52 (= G43), D78 (= D63), I79 (= I64), Q98 (≠ L84), A99 (= A85), A100 (= A86), A140 (≠ T126), A141 (≠ S127), S142 (= S128), Y166 (= Y153), K170 (= K157), Y193 (≠ P180), N195 (= N182)
binding uridine-diphosphate-n-acetylgalactosamine: S103 (≠ D89), S142 (= S128), S143 (≠ G129), S144 (= S131), Y166 (= Y153), N195 (= N182), V210 (= V196), W214 (≠ F200), Y225 (≠ R211), I226 (≠ V212), N227 (≠ F213), R234 (= R220), L271 (≠ D256), R294 (= R279), D297 (= D282)

P27830 dTDP-glucose 4,6-dehydratase 2; EC 4.2.1.46 from Escherichia coli (strain K12) (see 2 papers)
32% identity, 97% coverage: 8:316/318 of query aligns to 2:331/355 of P27830

query
sites
P27830

K

R

K

K

V

I

L

L

V

I

T

T

G

G

A

A

G

G

F
|
F

I
|
I

G

G

S

S

T

A

L

L

V

V

D

R

R

Y

L

I

I

I

A

N

E

E

G

T

Y

S

E

D

-

A

V

V

A

V

V

V

D
|
D

N
x
K

L
|
L

V
x
T

-

Y

S

A

G

G

R

N

R

L

E

M

N

S

L

L

A

A

K

P

A

V

Q

A

E

Q

T

S

G

E

K

R

L

F

S

A

F

F

H

E

Q

K

V

V

D
|
D

I
|
I

T

C

D

D

P

R

A

A

-

E

L

L

A

A

Q

R

I

V

V

F

E

T

N

E

E

H

A

Q

P

P

H

D

T

C

I

V

F

M

H

H

L

L

A

A

Q

E

I

S

D

H

V

V

R

D

K

R

S

S

V

I

E

D

D

G

P

P

I

A

F

A

D

F

S

I

E

E

V
x
T

N

N

V

I

V

V

G

G

T

T

V

Y

R

T

I

L

A

L

E

E

A

A

R

R

-

A

-

Y

-

W

-

N

-

A

-

L

-

T

-

E

-

D

R

K

A

K

G

S

T

A

Q

F

R

R

I

F

V

H

F

H

T

I

S

S

S

T

G

-

G
x
D

S
x
E

I

V

Y

Y

G

G

-

D

-

L

-

H

P

S

T

T

D

D

I

F

P

-

V

F

S

T

D

E

S

T

R

T

P

P

V

Y

N

A

P

P

L

S

S

S

P

P

Y
|
Y

A
x
S

A
|
A

G
x
S

K
|
K

V

A

A

S

G

S

E

D

I

H

Y

L

L

V

E

R

M

A

F

W

A

L

Q

R

L

T

Y

Y

G

G

I

L

S

P

W

T

A

L

A

I

V

T

A

N

P

C

A

S

N

N

V
x
N

Y

Y

G

G

P

P

R

Y

Q

H

N

F

P

P

H

E

G

-

E

-

A

-

G

K

V

L

V

I

A

P

I

L

F

M

S

I

E

L

R

N

L

A

L

L

A

A

G

G

T

K

P

S

T

L

R

P

V

V

F

Y

G

G

D

N

G

G

G

Q

N

Q

T

I

R

R

D

D

Y

W

V

L

F

Y

V

V

D

E

D

D

V

H

V

A

D

R

A

A

F

L

F

Y

R

C

A

V

A

A

T

T

E

G

Q

K

A

-

A

V

G

G

L

E

R

T

F

Y

N

N

I

I

G

G

T

G

G

H

V

N

E

E

T

R

S

K

D

N

R

L

R

D

L

V

H

V

T

E

L

T

V

I

A

C

E

E

T

L

I

L

-

E

-

L

-

A

-

P

-

N

-

K

-

P

-

H

G

G

V

V

A

A

D

H

N

Y

P

R

D

D

-

L

-

I

-

T

F

F

A

V

P

A

P

D

R

R

L

P

G

G

D

H

V

D

A

L

R

R

S

Y

A

A

L

I

D

D

A

A

A

S

R

K

A

I

R

A

D

R

V

E

L

L

G

G

W

W

A

L

P

P

G

Q

V

E

D

T

I

F

A

E

T

S

G

G

V

M

A

R

R

K

T

T

V

V

D

Q

F

W

F

Y

FI 12:13 (= FI 18:19) binding NAD(+)
DKLT 33:36 (≠ DNLV 38:41) binding NAD(+)
DI 59:60 (= DI 63:64) binding NAD(+)
T100 (≠ V103) binding NAD(+)
D135 (≠ G130) active site, Proton donor
E136 (≠ S131) active site, Proton acceptor
Y160 (= Y153) active site, Proton acceptor
YSASK 160:164 (≠ YAAGK 153:157) binding NAD(+)
N190 (≠ V183) binding NAD(+)

Query Sequence

>WP_067472346.1 NCBI__GCF_001659785.1:WP_067472346.1
MSPEVNPKKVLVTGGAGFIGSTLVDRLIAEGYEVAVVDNLVSGRRENLAKAQETGKLSFH
QVDITDPALAQIVENEAPHTIFHLAAQIDVRKSVEDPIFDSEVNVVGTVRIAEAARRAGT
QRIVFTSSGGSIYGPTDDIPVSDSRPVNPLSPYAAGKVAGEIYLEMFAQLYGISWAAVAP
ANVYGPRQNPHGEAGVVAIFSERLLAGTPTRVFGDGGNTRDYVFVDDVVDAFFRAATTEQ
AAGLRFNIGTGVETSDRRLHTLVAETIGVADNPDFAPPRLGDVARSALDAARARDVLGWA
PGVDIATGVARTVDFFRK

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