SitesBLAST

E50 (= E50) mutation E->Q,V: Shows higher affinity for cyclic-di-GMP, increases swimming motility and biofilm dispersal. Biofilm formation is almost completely removed.

5z2lK Crystal structure of bdca in complex with NADPH (see paper)
100% identity, 100% coverage: 2:237/237 of query aligns to 1:236/244 of 5z2lK

query
sites
5z2lK

G

G

A

A

F

F

T

T

G

G

K

K

T

T

V

V

L

L

I

I

L

L

G

G

S
|
S

R
|
R

G

G

I
|
I

G

G

A

A

I

I

V

V

R

R

F

F

V

V

T

T

D

D

G

G

A

A

N

N

V

V

R

R

F

F

T

T

Y
|
Y

A
|
A

G
|
G

S
|
S

K

K

D

D

A

A

K

K

R

R

L

L

A

A

Q

Q

E

E

T

T

G

G

A

A

T

T

A

A

V

V

F

F

T
|
T

D
|
D

S
|
S

A

A

D

D

R

R

D

D

A

A

V

V

I

I

D

D

V

V

R

R

K

K

S

S

G

G

A

A

L

L

D

D

I

I

L

L

V

V

N
|
N

A
|
A

G
|
G

I

I

G

G

V

V

F

F

G

G

E

E

A

A

L

L

E

E

L

L

N

N

A

A

D

D

I

I

D

D

R

R

L

L

F

F

K

K

I

I

N

N

I

I

H

H

A

A

P

P

Y

Y

H

H

A

A

S

S

V

V

E

E

A

A

R

R

Q

Q

M

M

P

P

E

E

G

G

R

R

I

I

L

L

I

I

I
|
I

G

G

S
|
S

V

V

N

N

G

G

D

D

R

R

M

M

P

P

V

V

A

A

G

G

M

M

A

A

Y
|
Y

A

A

S

S

K
|
K

S

S

A

A

L

L

Q

Q

G

G

M

M

A

A

R

R

G

G

L

L

A

A

R

R

D

D

F

F

G

G

P

P

R

R

G

G

I

I

T

T

I

I

N

N

V

V

Q

Q

P
|
P

G

G

P

P

I
|
I

D

D

T
|
T

D

D

A
|
A

N
|
N

P

P

A

A

N

N

G

G

P

P

M

M

R

R

D

D

M

M

L

L

H

H

S

S

L

L

M

M

A

A

I

I

K

K

R

R

H

H

G

G

Q

Q

P

P

E

E

V

V

A

A

G

G

M

M

V

V

A

A

W

W

L

L

A

A

G

G

P

P

E

E

A

A

S

S

F

F

V

V

T

T

G

G

A

A

M

M

H

H

T

T

I

I

D

D

G

G

A

A

F

F

G

G

A

A

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: S14 (= S15), R15 (= R16), I17 (= I18), Y36 (= Y37), A37 (= A38), G38 (= G39), S39 (= S40), T57 (= T58), D58 (= D59), S59 (= S60), N81 (= N82), A82 (= A83), G83 (= G84), I129 (= I130), S131 (= S132), Y145 (= Y146), K149 (= K150), P175 (= P176), I178 (= I179), T180 (= T181), A182 (= A183), N183 (= N184)

5wuwA Serratia marcescens short-chain dehydrogenase/reductase f98l/f202l mutant (see paper)
51% identity, 99% coverage: 4:237/237 of query aligns to 3:245/245 of 5wuwA

query
sites
5wuwA

F

L

T

Q

G

G

K

K

T

V

V

A

L

F

I

V

L

Q

G
|
G

G

G

S

S

R
|
R

G
|
G

I
|
I

G

G

A

A

I

I

V

V

R

K

R

R

F

L

V

A

T

S

D

E

G

G

A

A

N

A

V

V

R

A

F

F

T

T

Y
|
Y

A
|
A

G
x
A

S

S

K

A

D

D

A

R

A

A

K

E

R

A

L

V

A

A

Q

S

E

A

T

V

G

T

A

T

T

A

-

G

-

K

-

V

-

L

A

A

V

I

F

K

T

A

D
|
D

S
|
S

A

A

D

D

R

A

D

A

A

A

V

L

I

Q

D

Q

V

A

V

V

R

R

K

Q

S

A

-

V

-

S

-

H

-

F

G

G

A

N

L

L

D

D

I

I

L

L

V

V

V

N

N
|
N

A
|
A

G
|
G

I

V

G

L

V

T

F

L

G

G

E

G

A

T

L

E

E

E

L

L

N

A

A

L

D

D

I

L

D

D

R

R

L

M

F

L

K

A

I

V

N

N

I

V

H

R

A

S

P

V

Y

F

H

V

A

A

S

S

V

Q

E

E

A

A

R

R

Q

H

M

M

P

N

E

D

G

G

R

R

I

I

L

I

I

H

I

I

G

G

S
|
S

V

T

N

N

G

A

D

E

R

R

M

V

P

P

V

F

A

G

G

G

M

A

A

A

A

V

Y
|
Y

A

A

A

M

S

S

K
|
K

S

S

A

A

L
|
L

Q

V

G

G

M

L

A

T

R

K

G

G

L

M

A

A

R

R

D

D

F

L

G

G

P

P

R

R

G

S

I

I

T

T

I

V

N

N

V

N

V

V

Q

Q

P

P

G
|
G

P
|
P

I
x
V

D

D

T

T

D

E

A

M

N

N

P

P

A

D

N

A

G

G

P

E

M

L

R

A

D

D

M

Q

L

L

H

K

S

Q

L

L

M

M

A

A

I

I

K

G

R

R

H

Y

G

G

Q

K

P

D

E

E

V

I

A

A

G

G

M

F

V

V

A

A

W

Y

L

L

A

A

G

G

P

P

E

Q

A

A

S

G

F

Y

V

I

T

T

G

G

A

A

M

S

H

L

T

S

I

I

D

D

G

G

A

G

F

F

G

S

A

A

active site: G16 (= G17), S140 (= S132), Y154 (= Y146), L161 (= L153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), R15 (= R16), I17 (= I18), Y36 (= Y37), A37 (= A38), A38 (≠ G39), D63 (= D59), S64 (= S60), N90 (= N82), A91 (= A83), G92 (= G84), Y154 (= Y146), K158 (= K150), G185 (= G177), P186 (= P178), V187 (≠ I179)

6j7uA Crystal structure of blue fluorescent protein from metagenomic library in complex with NADPH (see paper)
50% identity, 99% coverage: 4:237/237 of query aligns to 3:247/247 of 6j7uA

query
sites
6j7uA

F

L

T

N

G

G

K

K

T

V

V

A

L

F

I

V

L

T

G
|
G

G

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

A

I

I

V

V

R

R

F

L

V

A

T

A

D

D

G

G

A

A

N

D

V

I

R

A

F

F

T

T

Y
|
Y

-
x
V

-
x
S

A

A

G

S

S
|
S

K

K

D

N

A

V

A

A

K

T

R

A

L

L

A

V

Q

Q

E

E

T

L

G

E

A

A

T

K

-

G

-

R

-

A

-

R

A

A

V

I

F

Q

T

A

D
|
D

S
|
S

A

A

D

D

-

P

-

A

-

Q

-

V

R

R

D

Q

A

A

V

V

I

E

D

Q

V

A

V

I

R

V

K

Q

S

L

G

G

A

P

L

V

D

D

I

V

L

L

V

V

V

N

N
|
N

A
|
A

G
|
G

I

I

G

F

V

L

F

A

G

G

E

P

A

L

L

G

E

E

L

V

N

T

A

L

D

D

I

Y

D

E

R

R

L

T

F

M

K

N

I
|
I

N

N

I

V

H

R

A

A

P

P

Y

F

H

V

A

A

S

I

V

Q

E

A

A

A

A

Q

R

A

Q

S

M

M

P

P

E

D

G

G

R

R

I

I

L

I

I

N

I

I

G
|
G

S
|
S

V

C

N

L

G

A

D

E

R

R

M

A

P

G

V

R

A

A

G

G

M

V

A

T

A

L

Y
|
Y

A

A

S

S

K
|
K

S

S

A

A

L

L

Q

L

G

G

M

M

A

T

R

R

G

G

L

L

A

A

R

R

D

D

F

L

G

G

P

A

R

R

G

G

I

I

T

T

I

A

N

N

V

V

Q

H

P
|
P

G

G

P

P

I

I

D

D

T
|
T

D

D

A
x
M

N
|
N

P

P

A

A

N

D

G

G

P

E

M

R

R

S

D

G

M

E

L

L

H

V

S

A

L

V

M

L

A

S

I

L

K

P

R

H

H

Y

G

G

Q

E

P

V

E

R

E

D

V

I

A

A

G

G

M

M

V

V

A

A

W

F

L

L

A

A

G

G

P

P

E

D

A

G

S

R

F

Y

V

V

T

T

G

G

A

A

M

S

H

L

T

A

I

V

D

D

G

G

A

G

F

F

G

A

A

A

active site: G16 (= G17), S142 (= S132), Y156 (= Y146)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (= S15), R15 (= R16), I17 (= I18), Y36 (= Y37), V37 (vs. gap), S38 (vs. gap), S41 (= S40), D65 (= D59), S66 (= S60), N92 (= N82), A93 (= A83), G94 (= G84), I115 (= I105), G141 (= G131), S142 (= S132), Y156 (= Y146), K160 (= K150), P186 (= P176), T191 (= T181), M193 (≠ A183), N194 (= N184)

5u2wA Crystal structure of a short chain dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP
48% identity, 98% coverage: 1:233/237 of query aligns to 1:242/246 of 5u2wA

query
sites
5u2wA

M

M

G

N

A

R

F

L

T

Q

G

G

K

K

T

R

V

A

L

L

I

V

L

T

G
|
G

G

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

A

I

I

V

A

R

K

R

R

F

L

V

A

T

A

D

D

G

G

A

A

N

D

V

V

R

A

F

I

T

T

Y
|
Y

A
x
E

G
x
K

S
|
S

K

A

D

E

A

R

A

A

K

Q

R

A

L

V

-

V

-

A

-

G

-

I

-

E

A

A

Q

L

E

G

T

R

G

R

A

A

T

I

A

A

V

I

F

Q

T
x
A

D
|
D

S
|
S

A

A

D

D

-

P

-

V

-

A

-

V

R

R

D

N

A

A

V

V

I

D

D

R

V

V

V

A

R

E

K

A

S

F

G

G

A

G

L

L

D

D

I

I

L

L

V

V

V

N

N
|
N

A
|
A

G
|
G

I

I

G

F

V

R

F

A

G

G

E

S

A

L

L

D

E

D

L

L

N

T

A

L

D

D

I

I

D

D

R

A

L

T

F

L

K

N

I

V

N

N

I

V

H

R

A

A

P

V

Y

I

H

V

A

A

S

S

V

Q

E

A

A

A

R

R

Q

H

M

L

P

G

E

E

G

G

R

R

I

I

L

V

I

S

I
x
T

G

G

S
|
S

V

C

N

L

G

A

D

T

R

R

M

V

P

P

V

D

A

A

G

G

M
|
M

A

S

A

L

Y
|
Y

A

A

S

S

K
|
K

S

A

A

A

L

L

Q

I

G

G

M

W

A

T

R

Q

G

G

L

L

A

A

R

R

D

D

F

L

G

G

P

P

R

R

G

G

I

I

T

T

I

V

N

N

V

I

V

V

Q

H

P
|
P

G
|
G

P

S

I
x
T

D

D

T
|
T

D

D

A
x
M

N
|
N

P

P

A

A

N

D

G

G

P

A

M

H

R

A

D

D

M

A

L

Q

H

R

S

S

L

R

M

M

A

A

I

I

K

Q

R

Q

H

Y

G

G

Q

K

P

A

E

D

V

V

A

A

G

A

M

L

V

V

A

A

W

F

L

V

A

V

G

G

P

P

E

E

A

G

S

R

F

S

V

I

T

N

G

G

A

T

M

G

H

L

T

T

I

I

D

D

G

G

active site: G17 (= G17), S141 (= S132), M152 (= M143), Y155 (= Y146), K159 (= K150)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G13), S15 (= S15), R16 (= R16), G17 (= G17), I18 (= I18), Y37 (= Y37), E38 (≠ A38), K39 (≠ G39), S40 (= S40), A63 (≠ T58), D64 (= D59), S65 (= S60), N91 (= N82), A92 (= A83), G93 (= G84), T139 (≠ I130), Y155 (= Y146), K159 (= K150), P185 (= P176), G186 (= G177), T188 (≠ I179), T190 (= T181), M192 (≠ A183), N193 (= N184)

2d1yA Crystal structure of tt0321 from thermus thermophilus hb8 (see paper)
38% identity, 100% coverage: 2:237/237 of query aligns to 1:238/240 of 2d1yA

query
sites
2d1yA

G

G

A

L

F

F

T

A

G

G

K

K

T

G

V

V

L

L

I

V

L

T

G
|
G

G

G

S

A

R
|
R

G
|
G

I
|
I

G

G

A

R

A

A

I

I

V

A

R

Q

R

A

F

F

V

A

T

R

D

E

G

G

A

A

N

L

V

V

R

-

F

-

T

A

Y

L

A

C

G
x
D

S
x
L

K
x
R

D

P

A

E

A

G

K

K

R

E

L

V

A

A

Q

E

E

A

T

I

G

G

A

G

T

A

A

F

V

F

F

Q

T
x
V

D
|
D

S
x
L

A

E

D

D

R

E

D

R

A

E

V

R

I

V

D

R

V

F

V

V

R

E

K

E

S

A

-

A

-

Y

-

A

-

L

G

G

A

R

L

V

D

D

I

V

L

L

V

V

V

N

N
|
N

A
|
A

G
x
A

I
|
I

G

A

V

A

F

P

G

G

E

S

A

A

L

L

E

T

L

V

N

R

A

L

D

P

D

E

I

W

D

R

R

R

L

V

F

L

K

E

I

V

N

N

I

L

H

T

A

A

P

P

Y

M

H

H

A

L

S

S

V

A

E

L

A

A

R

R

Q

E

M

M

P

R

E

K

-

V

-

G

G

G

R

A

I

I

L

V

I

N

I
x
V

G

A

S
|
S

V

V

N

Q

G

G

D

-

R

L

M

F

P

A

V

E

A

Q

G

E

M
x
N

A

A

Y
|
Y

A

N

A

A

S

S

K
|
K

S

G

A

G

L

L

Q

V

G

N

M

L

A

T

R

R

G

S

L

L

A

A

R

L

D

D

F

L

G

A

P

P

R

L

G

R

I

I

T

R

I

V

N

N

V

A

V

V

Q

A

P
|
P

G
|
G

P

A

I
|
I

D

A

T
|
T

D

E

A
|
A

N
x
V

P

L

A

E

N

A

G

I

P

A

M

R

R

R

D

D

M

W

L

-

H

E

S

D

L

L

M

H

A

A

I

L

K

R

R

R

H

L

G

G

Q

K

P

P

E

E

V

V

A

A

G

E

M

A

V

V

A

L

W

F

L

L

A

A

G

S

P

E

E

K

A

A

S

S

F

F

V

I

T

T

G

G

A

A

M

I

H

L

T

P

I

V

D

D

G

G

A

G

F

M

G

T

A

A

active site: G16 (= G17), S135 (= S132), N145 (≠ M143), Y148 (= Y146), K152 (= K150)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), R15 (= R16), I17 (= I18), D36 (≠ G39), L37 (≠ S40), R38 (≠ K41), V55 (≠ T58), D56 (= D59), L57 (≠ S60), N83 (= N82), A84 (= A83), A85 (≠ G84), I86 (= I85), V133 (≠ I130), S135 (= S132), Y148 (= Y146), K152 (= K150), P178 (= P176), G179 (= G177), I181 (= I179), T183 (= T181), A185 (= A183), V186 (≠ N184)

P9WGT3 3-oxoacyl-[acyl-carrier-protein] reductase MabA; 3-ketoacyl reductase; 3-ketoacyl-acyl carrier protein reductase; Acetoacetyl-CoA reductase; Beta-ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; Mycolic acid biosynthesis A; EC 1.1.1.100; EC 1.1.1.36 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 7 papers)
35% identity, 98% coverage: 4:236/237 of query aligns to 13:244/247 of P9WGT3

query
sites
P9WGT3

F

F

T

V

G

S

K

R

T

S

V

V

L

L

I

V

L
x
T

G

G

S

N

R
|
R

G
|
G

I
|
I

G

G

A

L

A

A

I

I

V

A

R

Q

R

R

F

L

V

A

T

A

D

D

G

G

A

H

N

K

V

V

R

A

F

V

T

T

Y

H

A
x
R

G

G

S

S

K

G

D

A

A

P

A

K

K

G

R

L

L

F

A

G

Q

V

E

E

T
x
C

G
x
D

A
x
V

T

T

A

D

V

-

F

-

T

S

D

D

S

A

A

V

D

D

R

R

D

-

A

A

V

F

I

T

D

A

V

V

V

E

R

E

K

H

S

Q

G

G

A

P

L

V

D

E

I

V

L

L

V

V

V

S

N

N

A

A

G
|
G

I

L

G

S

V

A

F

D

G

A

E

F

A

L

L

M

E

R

L

M

N

T

A

E

D

E

D

K

I

F

D

E

R

K

L

V

F

I

K

N

I

A

N

N

I

L

H
x
T

A

G

P

A

Y

F

H

R

A

V

S

A

V

Q

E

R

A

A

A

S

R

R

Q

S

M

M

P

Q

E

R

G

N

-

K

-

F

G

G

R

R

I

M

L

I

I

F

I

I

G
|
G

S
|
S

V

V

N

S

G

G

D
x
S

R

-

M

W

P

G

V

I

A

G

G

N

M

Q

A

A

A

N

Y

Y

A

A

S

S

K

K

S

A

A

G

L

V

Q

I

G

G

M

M

A

A

R

R

G

S

L

I

A

A

R

R

D

E

F

L

G

S

P

K

R

A

G

N

I

V

T

T

I

A

N

N

V

V

Q

A

P

P

G

G

P
x
Y

I

I

D

D

T

T

D

D

A

M

N
x
T

P

R

A

A

-

L

N

D

G

E

P

R

M

I

R

Q

D

Q

M

G

L

A

H

L

S

Q

L

F

M

I

A

P

I

A

K

K

R

R

H

V

G

G

Q

T

P

P

E

A

E

E

V

V

A

A

G

G

M

V

V

V

A

S

W

F

L

L

A

A

G

S

P

E

E

D

A

A

S

S

F

Y

V

I

T

S

G

G

A

A

M

V

H

I

T

P

I

V

D

D

G

G

A

G

F

M

G

G

T21 (≠ L12) modified: Phosphothreonine; mutation to A: Slight decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-114 and A-191.
RGI 25:27 (= RGI 16:18) binding
R47 (≠ A38) binding
C60 (≠ T51) mutation to V: Displays a lower activity than the wild-type and a slightly decreased affinity for the cofactor. Retains 84% of activity; when associated with L-144. Totally inactive; when associated with A-139 and L-144.
DV 61:62 (≠ GA 52:53) binding
G90 (= G84) binding
T114 (≠ H108) modified: Phosphothreonine; mutation to A: Slight decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-21 and A-191.
G139 (= G131) mutation to A: Complete protein inactivation and freezes the catalytic site into its closed form. Totally inactive; when associated with V-60 and L-144.
S140 (= S132) mutation to A: Loss of activity. Can still bind NADPH.; mutation to T: Loss of activity. Impaired NADPH binding.
S144 (≠ D136) mutation to L: Stabilizes the catalytic loop in its open active form. Retains 84% of activity; when associated with V-60. Totally inactive; when associated with V-60 and A-139.
Y185 (≠ P178) mutation to L: 70% decrease in activity with acetoacetyl-CoA as substrate. Does not affect NADP binding.
T191 (≠ N184) modified: Phosphothreonine; mutation to A: Retains 22% of wild-type reductase activity. Strong decrease in phosphorylation by PknB. Lack of phosphorylation by PknB; when associated with A-21 and A-114.; mutation to D: Phosphomimetic mutant that retains less than 10% of wild-type reductase activity. Impaired NADPH binding. Overproduction of the mutant leads to a significant inhibition of de novo biosynthesis of mycolic acids.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5ovlA Crystal structure of maba bound to NADP+ from m. Smegmatis (see paper)
37% identity, 99% coverage: 3:236/237 of query aligns to 6:238/241 of 5ovlA

query
sites
5ovlA

A

A

F

F

T

V

G

S

K

R

T

S

V

V

L

L

I

V

L

T

G
|
G

G

G

S
x
N

R
|
R

G
|
G

I
|
I

G

G

A

L

A

A

I

I

V

A

R

R

F

L

V

A

T

A

D

D

G

G

A

H

N

K

V

V

R

A

F

V

T

T

Y

H

A
x
R

G

G

S

S

K

G

D

A

A

P

A

D

K

D

R

L

L

F

A

-

Q

-

E

-

T

-

G

G

A

V

T

Q

A

C

V
x
D

F
x
V

T

T

D

D

S

S

A

A

D

A

R

V

D

D

-

R

A

A

V

F

I

K

D

E

V

V

V

E

R

E

K

H

S

Q

G

G

A

P

L

V

D

E

I

V

L

L

V

V

V

A

N
|
N

A
|
A

G

G

I
|
I

G

S

V

K

F

D

G

A

E

F

A

L

L

M

E

R

L

M

N

T

A

E

D

E

D

R

I

F

D

E

R

E

L

V

F

I

K

N

I
x
T

N

N

I

L

H

T

A

G

P

A

Y

F

H

R

A

C

S

A

V

Q

E

R

A

A

A

S

R

R

Q

T

M

M

P

Q

E

R

G

K

-

R

-

F

G

G

R

R

I

I

L

I

I

F

I
|
I

G

G

S
|
S

V

V

N

S

G

G

D

-

R

M

M

W

P

G

V

I

A

G

G

N

M

Q

A

A

A

N

Y
|
Y

A

A

S

A

K
|
K

S

A

A

G

L
|
L

Q

I

G

G

M

M

A

A

R

R

G

S

L

I

A

S

R

R

D

E

F

L

G

A

P

K

R

A

G

G

I

V

T

T

I

A

N

N

V

V

Q

A

P
|
P

G
|
G

P

Y

I
|
I

D

D

T

T

D

E

A

M

N

T

P

R

A

A

-

L

N

D

G

E

P

R

M

I

R

Q

D

A

M

G

L

A

H

L

S

D

L

F

M

I

A

P

I

A

K

K

R

R

H

V

G

G

Q

T

P

A

E

E

V

V

A

A

G

G

M

A

V

V

A

S

W

F

L

L

A

A

G

S

P

E

E

D

A

A

S

S

F

Y

V

I

T

A

G

G

A

A

M

V

H

I

T

P

I

V

D

D

G

G

A

G

F

M

G

G

active site: G20 (= G17), S134 (= S132), Y147 (= Y146), L154 (= L153)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G13), N18 (≠ S15), R19 (= R16), G20 (= G17), I21 (= I18), R41 (≠ A38), D55 (≠ V56), V56 (≠ F57), N82 (= N82), A83 (= A83), I85 (= I85), T105 (≠ I105), I132 (= I130), S134 (= S132), Y147 (= Y146), K151 (= K150), P177 (= P176), G178 (= G177), I180 (= I179)

5ovkA Crystal structure maba bound to NADPH from m. Smegmatis (see paper)
37% identity, 99% coverage: 3:236/237 of query aligns to 7:239/242 of 5ovkA

query
sites
5ovkA

A

A

F

F

T

V

G

S

K

R

T

S

V

V

L

L

I

V

L

T

G
|
G

G

G

S
x
N

R
|
R

G
|
G

I

I

G

G

A

L

A

A

I

I

V

A

R

R

F

L

V

A

T

A

D

D

G

G

A

H

N

K

V

V

R

A

F

V

T

T

Y

H

A
x
R

G

G

S

S

K

G

D

A

A

P

A

D

K

D

R

L

L

F

A

-

Q

-

E

-

T

-

G

G

A

V

T

Q

A

C

V
x
D

F
x
V

T

T

D

D

S

S

A

A

D

A

R

V

D

D

-

R

A

A

V

F

I

K

D

E

V

V

V

E

R

E

K

H

S

Q

G

G

A

P

L

V

D

E

I

V

L

L

V

V

V

A

N

N

A
|
A

G
|
G

I

I

G

S

V

K

F

D

G

A

E

F

A

L

L

M

E

R

L

M

N

T

A

E

D

E

D

R

I

F

D

E

R

E

L

V

F

I

K

N

I

T

N

N

I

L

H

T

A

G

P

A

Y

F

H

R

A

C

S

A

V

Q

E

R

A

A

A

S

R

R

Q

T

M

M

P

Q

E

R

G

K

-

R

-

F

G

G

R

R

I

I

L

I

I

F

I

I

G

G

S
|
S

V

V

N

S

G

G

D

-

R

M

M

W

P

G

V

I

A

G

G

N

M

Q

A

A

A

N

Y
|
Y

A

A

S

A

K

K

S

A

A

G

L

L

Q

I

G

G

M

M

A

A

R

R

G

S

L

I

A

S

R

R

D

E

F

L

G

A

P

K

R

A

G

G

I

V

T

T

I

A

N

N

V

V

Q

A

P

P

G

G

P

Y

I

I

D

D

T

T

D

E

A

M

N

T

P

R

A

A

-

L

N

D

G

E

P

R

M

I

R

Q

D

A

M

G

L

A

H

L

S

D

L

F

M

I

A

P

I

A

K

K

R

R

H

V

G

G

Q

T

P

A

E

E

V

V

A

A

G

G

M

A

V

V

A

S

W

F

L

L

A

A

G

S

P

E

E

D

A

A

S

S

F

Y

V

I

T

A

G

G

A

A

M

V

H

I

T

P

I

V

D

D

G

G

A

G

F

M

G

G

active site: G21 (= G17), S135 (= S132), Y148 (= Y146)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G17 (= G13), N19 (≠ S15), R20 (= R16), R42 (≠ A38), D56 (≠ V56), V57 (≠ F57), A84 (= A83), G85 (= G84)

P71534 3-oxoacyl-[acyl-carrier-protein] reductase MabA; 3-ketoacyl-acyl carrier protein reductase; Acetoacetyl-CoA reductase; Beta-ketoacyl-ACP reductase; Beta-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100; EC 1.1.1.36 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
37% identity, 99% coverage: 3:236/237 of query aligns to 20:252/255 of P71534

query
sites
P71534

A

A

F

F

T

V

G

S

K

R

T

S

V

V

L

L

I

V

L

T

G

G

S
x
N

R
|
R

G
|
G

I
|
I

G

G

A

L

A

A

I

I

V

A

R

R

F

L

V

A

T

A

D

D

G

G

A

H

N

K

V

V

R

A

F

V

T

T

Y

H

A
x
R

G

G

S

S

K

G

D

A

A

P

A

D

K

D

R

L

L

F

A

-

Q

-

E

-

T

-

G

G

A

V

T

Q

A

C

V
x
D

F
x
V

T

T

D

D

S

S

A

A

D

A

R

V

D

D

-

R

A

A

V

F

I

K

D

E

V

V

V

E

R

E

K

H

S

Q

G

G

A

P

L

V

D

E

I

V

L

L

V

V

V

A

N

N

A

A

G

G

I

I

G

S

V

K

F

D

G

A

E

F

A

L

L

M

E

R

L

M

N

T

A

E

D

E

D

R

I

F

D

E

R

E

L

V

F

I

K

N

I

T

N

N

I

L

H

T

A

G

P

A

Y

F

H

R

A

C

S

A

V

Q

E

R

A

A

A

S

R

R

Q

T

M

M

P

Q

E

R

G

K

-

R

-

F

G

G

R

R

I

I

L

I

I

F

I

I

G

G

S

S

V

V

N

S

G

G

D

-

R

M

M

W

P

G

V

I

A

G

G

N

M

Q

A

A

A

N

Y
|
Y

A

A

S

A

K
|
K

S

A

A

G

L

L

Q

I

G

G

M

M

A

A

R

R

G

S

L

I

A

S

R

R

D

E

F

L

G

A

P

K

R

A

G

G

I

V

T

T

I

A

N

N

V

V

Q

A

P

P

G

G

P

Y

I
|
I

D

D

T

T

D

E

A

M

N

T

P

R

A

A

-

L

N

D

G

E

P
x
R

M

I

R

Q

D

A

M

G

L

A

H

L

S

D

L

F

M

I

A

P

I

A

K

K

R

R

H

V

G

G

Q

T

P

A

E

E

V

V

A

A

G

G

M

A

V

V

A

S

W

F

L

L

A

A

G

S

P

E

E

D

A

A

S

S

F

Y

V

I

T

A

G

G

A

A

M

V

H

I

T

P

I

V

D

D

G

G

A

G

F

M

G

G

NRGI 32:35 (≠ SRGI 15:18) binding
R55 (≠ A38) binding
DV 69:70 (≠ VF 56:57) binding
Y161 (= Y146) binding
K165 (= K150) binding
I194 (= I179) binding
R205 (≠ P189) binding

1uznA Maba from mycobacterium tuberculosis (see paper)
35% identity, 98% coverage: 4:236/237 of query aligns to 5:236/239 of 1uznA

query
sites
1uznA

F

F

T

V

G

S

K

R

T

S

V

V

L

L

I

V

L

T

G
|
G

G

G

S
x
N

R
|
R

G
|
G

I
|
I

G

G

A

L

A

A

I

I

V

A

R

Q

R

R

F

L

V

A

T

A

D

D

G

G

A

H

N

K

V

V

R

A

F

V

T

T

Y

H

A
x
R

G

G

S

S

K

G

D

A

A

P

A

K

K

G

R

L

L

F

A

G

Q

V

E

E

T

V

G
x
D

A
x
V

T

T

A

D

V

-

F

-

T

S

D

D

S

A

A

V

D

D

R

R

D

-

A

A

V

F

I

T

D

A

V

V

V

E

R

E

K

H

S

Q

G

G

A

P

L

V

D

E

I

V

L

L

V

V

V

S

N

N

A
|
A

G
|
G

I

L

G

S

V

A

F

D

G

A

E

F

A

L

L

M

E

R

L

M

N

T

A

E

D

E

D

K

I

F

D

E

R

K

L

V

F

I

K

N

I

A

N

N

I

L

H

T

A

G

P

A

Y

F

H

R

A

V

S

A

V

Q

E

R

A

A

A

S

R

R

Q

S

M

M

P

Q

E

R

G

N

-

K

-

F

G

G

R

R

I

M

L

I

I

F

I

I

G

G

S
|
S

V

V

N

S

G

G

D

-

R

L

M

W

P

G

V

I

A

G

G

N

M

Q

A

A

A

N

Y
|
Y

A

A

S

S

K
|
K

S

A

A

G

L

V

Q

I

G

G

M

M

A

A

R

R

G

S

L

I

A

A

R

R

D

E

F

L

G

S

P

K

R

A

G

N

I

V

T

T

I

A

N

N

V

V

Q

A

P

P

G

G

P

Y

I

I

D

D

T

T

D

D

A

M

N

T

P

R

A

A

-

L

N

D

G

E

P

R

M

I

R

Q

D

Q

M

G

L

A

H

L

S

Q

L

F

M

I

A

P

I

A

K

K

R

R

H

V

G

G

Q

T

P

P

E

A

E

E

V

V

A

A

G

G

M

V

V

V

A

S

W

F

L

L

A

A

G

S

P

E

E

D

A

A

S

S

F

Y

V

I

T

S

G

G

A

A

M

V

H

I

T

P

I

V

D

D

G

G

A

G

F

M

G

G

active site: G18 (= G17), S132 (= S132), Y145 (= Y146), K149 (= K150)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G13), N16 (≠ S15), R17 (= R16), I19 (= I18), R39 (≠ A38), D53 (≠ G52), V54 (≠ A53), A81 (= A83), G82 (= G84)

P0A2C9 3-oxoacyl-[acyl-carrier-protein] reductase FabG; 3-ketoacyl-acyl carrier protein reductase; Beta-Ketoacyl-acyl carrier protein reductase; Beta-ketoacyl-ACP reductase; EC 1.1.1.100 from Salmonella typhimurium (strain LT2 / SGSC1412 / ATCC 700720) (see paper)
38% identity, 97% coverage: 3:233/237 of query aligns to 2:239/244 of P0A2C9

query
sites
P0A2C9

A

S

F

F

T

E

G

G

K

K

T

I

V

A

L

L

I

V

L

T

G

G

G

A

S

S

R

R

G

G

I

I

G

G

A

R

A

A

I

I

V

A

R

E

R

T

F

L

V

V

T

A

D

R

G

G

A

A

N

K

V

V

R

I

F

G

T

T

Y

-

A

A

G

T

S

S

K

E

D

N

A

G

A

A

K

K

R

N

L

I

A

S

Q

D

E

Y

T

L

G

G

A

A

T

N

A

G

V

K

-

G

-

L

-

M

-

L

-

N

F

V

T

T

D

D

S

P

A

A

D

S

R

I

D

E

A

S

V

V

I

L

D

E

V

N

V

I

R

R

K

A

S

E

-

F

G

G

A

E

L

V

D

D

I

I

L

L

V

V

V

N

N

N

A

A

G

G

I

I

G

T

V

R

F

D

G

N

E

L

A

L

L

M

E

R

L

M

N

K

A

D

D

D

D

E

I

W

D

N

R

D

L

I

F

I

K

E

I

T

N

N

I

L

H

S

A

S

P

V

Y

F

H

R

A

L

S

S

V

K

E

A

A

V

A

M

R

R

Q

A

M
|
M

-

M

-

K

P

K

E

R

G

C

G

G

R

R

I

I

L

I

I

T

I

I

G

G

S

S

V

V

N

V

G

G

D

T

R

-

M

M

P

G

V

N

A

A

G

G

M

Q

A

A

A

N

Y

Y

A

A

S

A

K

K

S

A

A

G

L

L

Q

I

G

G

M

F

A

S

R

K

G

S

L

L

A

A

R

R

D

E

F

V

G

A

P

S

R

R

G

G

I

I

T

T

I

V

N

N

V

V

Q

A

P

P

G

G

P

F

I

I

D

E

T

T

D

D

A

M

N

T

P

R

A

A

-

L

N

S

G

D

P

D

M

Q

R

R

D

A

M

G

L

I

H

L

S

A

L

Q

M

V

A

P

I

A

K

G

R

R

H

L

G

G

Q

G

P

A

E

Q

E

E

V

I

A

A

G

S

M

A

V

V

A

A

W

F

L

L

A
|
A

G
x
S

P

D

E

E

A

A

S

S

F

Y

V

I

T

T

G

G

A

E

M

T

H

L

T

H

I

V

D

N

G

G

M125 (= M121) mutation to I: Loss of the temperature-sensitive phenotype; when associated with T-223.
A223 (= A217) mutation to T: Loss of the temperature-sensitive phenotype; when associated with I-125.
S224 (≠ G218) mutation to F: Distorts the local conformation and prevent stacking around Phe-221. The S224F mutation would additionally disrupt the hydrogen bond formed between Ser-224 and Glu-226.

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
38% identity, 97% coverage: 3:233/237 of query aligns to 2:239/244 of 6t77A

query
sites
6t77A

A

S

F

F

T

E

G

G

K

K

T

I

V

A

L

L

I

V

L

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I

I

G

G

A

R

A

A

I

I

V

A

R

E

R

T

F

L

V

V

T

A

D

R

G

G

A

A

N

K

V

V

R

I

F

G

T

T

Y

-

A

A

G
x
T

S

S

K

E

D

S

A

G

A

A

K

Q

R

A

L

I

A

S

Q

D

E

Y

T

L

G

G

A

A

T

N

A

G

V

K

-

G

-

L

-

M

-
x
L

-
x
N

F
x
V

T

T

D

D

S

P

A

A

D

S

R

I

D

E

A

S

V

V

I

L

D

E

V

N

V

V

R

R

K

A

S

E

-

F

G

G

A

E

L

V

D

D

I

I

L

L

V

V

V

N

N

N

A
|
A

G
|
G

I
|
I

G

T

V

R

F

D

G

N

E

L

A

L

L

M

E

R

L

M

N

K

A

D

D

D

D

E

I

W

D

N

R

D

L

I

F

I

K

E

I

T

N

N

I

L

H

S

A

S

P

V

Y

F

H

R

A

L

S

S

V

K

E

A

A

V

A

M

R

R

Q

A

M

M

P

M

E

K

G

K

-

R

-

H

G

G

R

R

I

I

L

I

I

T

I

I

G

G

S
|
S

V

V

N

V

G

G

D

T

R

-

M

M

P

G

V

N

A

A

G

G

M

Q

A

A

A

N

Y
|
Y

A

A

S

A

K

K

S

A

A

G

L

L

Q

I

G

G

M

F

A

S

R

K

G

S

L

L

A

A

R

R

D

E

F

V

G

A

P

S

R

R

G

G

I

I

T

T

I

V

N

N

V

V

Q

A

P

P

G

G

P

F

I

I

D

E

T

T

D

D

A

M

N

T

P

R

A

A

-

L

N

T

G

D

P

E

M

Q

R

R

D

A

M

G

L

T

H

L

S

A

L

A

M

V

A

P

I

A

K

G

R

R

H

L

G

G

Q

T

P

P

E

N

E

E

V

I

A

A

G

S

M

A

V

V

A

A

W

F

L

L

A

A

G

S

P

D

E

E

A

A

S

S

F

Y

V

I

T

T

G

G

A

E

M

T

H

L

T

H

I

V

D

N

G

G

active site: G16 (= G17), S138 (= S132), Y151 (= Y146)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G13), S14 (= S15), R15 (= R16), T37 (≠ G39), L58 (vs. gap), N59 (vs. gap), V60 (≠ F57), A87 (= A83), G88 (= G84), I89 (= I85)

7emgB Carbonyl reductase variant 4 (r123c/l209p/f183y/v61k) from serratia marcescens complexed with NADP+ (see paper)
38% identity, 97% coverage: 3:233/237 of query aligns to 1:238/243 of 7emgB

query
sites
7emgB

A

S

F

F

T

E

G

G

K

K

T

I

V

V

L

L

I

V

L

T

G
|
G

G

A

S
|
S

R
|
R

G

G

I

I

G

G

A

R

A

A

I

I

V

A

R

E

R

T

F

F

V

V

T

A

D

R

G

G

A

A

N

K

V

V

R

I

F

G

T

T

Y

-

A

A

G
x
T

S

S

K

E

D

S

A

G

A

A

K

E

R

A

L

I

A

S

Q

G

E

Y

T

L

G

G

A

A

T

N

A

G

V

K

-

G

-

F

-

M

-

L

-
x
N

F
x
V

T

K

D

D

S

A

A

Q

D

S

R

I

D

D

A

S

V

V

I

L

D

A

V

S

V

I

R

R

-

A

K

E

S

F

G

G

A

E

L

I

D

D

I

I

L

L

V

V

V

N

N

N

A

A

G

G

I
|
I

G

T

V

R

F

D

G

N

E

L

A

L

L

M

E

R

L

M

N

K

A

D

D

D

D

E

I

W

D

E

R

D

L

I

F

L

K

D

I

T

N

N

I

L

H

T

A

S

P

V

Y

F

H

R

A

L

S

S

-

K

-

A

V

V

E

M

A

C

A

A

R

M

Q

M

M

K

P

K

E

R

G

F

G

G

R

R

I

I

L

I

I

T

I

I

G

G

S

S

V

V

N

V

G

G

D

T

R

-

M

M

P

G

V

N

A

A

G

G

M

Q

A

A

A

N

Y

Y

A

A

S

A

K

K

S

A

A

G

L

L

Q

I

G

G

M

F

A

S

R

K

G

S

L

L

A

A

R

R

D

E

F

V

G

A

P

S

R

R

G

G

I

I

T

T

I

V

N

N

V

V

Q

A

P

P

G

G

P

Y

I

I

D

E

T

T

D

D

A

M

N

T

P

R

A

A

-

L

N

T

G

D

P

D

M

Q

R

R

D

A

M

G

L

I

H

L

S

S

L

S

M

V

A

P

I

A

K

N

R

R

H

P

G

G

Q

D

P

A

E

K

E

E

V

I

A

A

G

S

M

A

V

V

A

A

W

F

L

L

A

A

G

S

P

D

E

E

A

A

S

G

F

Y

V

I

T

T

G

G

A

E

M

T

H

L

T

H

I

V

D

N

G

G

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G11 (= G13), S13 (= S15), R14 (= R16), T36 (≠ G39), N58 (vs. gap), V59 (≠ F57), I88 (= I85)

7xqmB Indel-mutant short chain dehydrogenase bound to sah (see paper)
37% identity, 100% coverage: 1:237/237 of query aligns to 1:244/253 of 7xqmB

query
sites
7xqmB

M

M

G

G

A

L

F

F

T

A

G

G

K

K

T

G

V

V

L

L

I

V

L

T

G
|
G

G

G

S

-

R

-

G

G

I
|
I

G

G

A

A

A

-

I

I

V

A

R

Q

R

A

F

F

V

A

T

R

D

E

G

G

A

A

N

L

V

V

R

-

F

-

T

A

Y

L

A

C

G
x
D

S
x
L

K
x
R

D

P

A

E

A

G

K

K

R

E

L

V

A

A

Q

E

E

A

T

I

G

G

A

G

T

A

A

F

V

F

F

Q

T
x
V

D

D

S
x
L

A

E

D

D

R

E

D

R

A

E

V

R

I

V

D

R

V

F

V

V

R

E

K

E

S

A

-

A

-

Y

-

A

-

L

G

G

A

R

L

V

D

D

I

V

L

L

V

V

V

N

N
|
N

A
|
A

G
x
A

I

I

G

A

V

A

F

P

G

G

E

S

A

A

L

L

E

T

L

V

N

R

A

L

D

P

D

E

I

W

D

R

R

R

L

V

F

L

K

E

I

V

N

N

I

L

H

T

A

A

P

P

Y

M

H

H

A

L

S

S

V

A

E

L

A

A

R

R

Q

E

M

M

P

R

E

K

-

V

-

G

G

G

R

A

I

I

L

V

I

N

I

V

G

A

S

S

V

V

N

Q

G

G

D

-

R

L

M

F

P

A

V

E

A

Q

G

E

M

N

A

A

Y
|
Y

A

N

A

A

S

S

K

K

S

G

A

G

L

L

Q

V

G

N

M

L

A

T

R

R

G

S

L

L

A

A

R

L

D

D

F

L

G

A

P

P

R

L

G

R

I

I

T

R

I

V

N

N

V

A

V

V

Q

A

P

P

G

G

P

A

I

I

D

A

T

T

D

E

A

A

-

V

-

L

-

E

-

A

-

I

-

A

-

L

N

S

P

P

A

D

N

P

G

E

P

R

M

T

R

R

D

R

M

D

L

W

H

E

S

D

L

L

M

H

A

A

I

L

K

R

R

R

H

L

G

G

Q

K

P

P

E

E

V

V

A

A

G

E

M

A

V

V

A

L

W

F

L

L

A

A

G

S

P

E

E

K

A

A

S

S

F

F

V

I

T

T

G

G

A

A

M

I

H

L

T

P

I

V

D

D

G

G

A

G

F

M

G

T

A

A

binding s-adenosyl-l-homocysteine: G13 (= G13), I16 (= I18), D34 (≠ G39), L35 (≠ S40), R36 (≠ K41), V53 (≠ T58), L55 (≠ S60), N81 (= N82), A82 (= A83), A83 (≠ G84), Y146 (= Y146)

1g6kA Crystal structure of glucose dehydrogenase mutant e96a complexed with NAD+
32% identity, 97% coverage: 4:233/237 of query aligns to 5:248/261 of 1g6kA

query
sites
1g6kA

F

L

T

E

G

G

K

K

T

V

V

V

L

V

I

I

L

T

G

G

G

S

S

S

R
x
T

G
|
G

I
x
L

G

G

A

K

A

S

I

M

V

A

R

I

R

R

F

F

V

A

T

T

D

E

G

K

A

A

N

K

V

V

R

V

F

V

T

N

Y

Y

A
x
R

G

S

S

K

K

E

D

D

A

E

A

A

K

N

R

S

L

V

A

L

Q

E

E

E

T

I

G

K

-

K

-

V

-

G

-

E

A

A

T

I

A

A

V

V

F

K

T

G

D
|
D

S
x
V

A

T

D

V

R

E

D

S

A

D

V

V

I

I

D

N

V

L

V

V

R

Q

K

S

S

A

-

I

-

K

-

E

-

F

G

G

A

K

L

L

D

D

I

V

L

M

V

I

V

N

N
|
N

A
|
A

G
|
G

I

L

G

A

V

N

F

P

G

V

E

S

A

S

L

H

E

E

L

M

N

S

A

L

D

S

D

D

I

W

D

N

R

K

L

V

F

I

K

D

I

T

N

N

I

L

H

T

A

G

P

A

Y

F

H

L

A

G

S

S

V

R

E

E

A

A

A

I

R

K

Q

Y

M

F

P

V

E

E

G

N

-

D

-

I

-

K

G

G

R

T

I

V

L

I

I

N

I
x
M

G

S

S
|
S

V

V

N

H

G

-

D

E

R

K

M

I

P

P

V

W

A

P

G

L

M

F

A

V

A

H

Y
|
Y

A

A

S

S

K
|
K

S

G

A

G

L

M

Q

K

G

L

M

M

A

T

R

E

G

T

L

L

A

A

R

L

D

E

F

Y

G

A

P

P

R

K

G

G

I

I

T

R

I

V

N

N

V

N

V

I

Q

G

P
|
P

G
|
G

P

A

I
|
I

D

N

T
|
T

D

P

A

I

N

N

P

A

-

E

-

K

-

F

A

A

N

D

G

P

P

E

M

Q

R

R

D

A

M

D

L

V

H

E

S

S

L

M

M

I

A

P

I

M

K

G

R

Y

H

I

G

G

Q

E

P

P

E

E

V

I

A

A

G

A

M

V

V

A

A

A

W

W

L

L

A

A

G

S

P

S

E

E

A

A

S

S

F

Y

V

V

T

T

G

G

A

I

M

T

H

L

T

F

I

A

D

D

G

G

active site: G18 (= G17), S145 (= S132), Y158 (= Y146), K162 (= K150)
binding nicotinamide-adenine-dinucleotide: T17 (≠ R16), G18 (= G17), L19 (≠ I18), R39 (≠ A38), D65 (= D59), V66 (≠ S60), N92 (= N82), A93 (= A83), G94 (= G84), M143 (≠ I130), S145 (= S132), Y158 (= Y146), P188 (= P176), G189 (= G177), I191 (= I179), T193 (= T181)

P40288 Glucose 1-dehydrogenase; EC 1.1.1.47 from Priestia megaterium (Bacillus megaterium) (see 2 papers)
32% identity, 97% coverage: 4:233/237 of query aligns to 5:248/261 of P40288

query
sites
P40288

F

L

T

E

G

G

K

K

T

V

V

V

L
x
V

I
|
I

L
x
T

G
|
G

G
x
S

S
|
S

R
x
T

G
|
G

I
x
L

G
|
G

A
x
K

A
x
S

I
x
M

V
x
A

R
x
I

R
|
R

F
|
F

V
x
A

T
|
T

D
x
E

G
x
K

A
|
A

N
x
K

V
|
V

R
x
V

F

V

T

N

Y

Y

A

R

G

S

S

K

K

E

D

D

A

E

A

A

K

N

R

S

L

V

A

L

Q

E

E

E

T

I

G

K

-

K

-

V

-

G

-

E

A

A

T

I

A

A

V

V

F

K

T

G

D

D

S

V

A

T

D

V

R

E

D

S

A

D

V

V

I

I

D

N

V

L

V

V

R

Q

K

S

S

A

-

I

-

K

-

E

-

F

G

G

A

K

L

L

D

D

I

V

L

M

V

I

V

N

N

N

A

A

G

G

I

L

G
x
E

V

N

F

P

G

V

E

S

A

S

L

H

E

E

L

M

N

S

A

L

D

S

D
|
D

I

W

D

N

R

K

L
x
V

F

I

K

D

I

T

N

N

I

L

H

T

A

G

P

A

Y

F

H

L

A

G

S

S

V

R

E

E

A

A

A

I

R

K

Q

Y

M

F

P

V

E
|
E

G

N

-

D

-

I

-

K

G

G

R

T

I

V

L

I

I

N

I

M

G

S

S

S

V

V

N

H

G

-

D

E

R

K

M

I

P

P

V

W

A

P

G

L

M

F

A

V

A

H

Y

Y

A

A

S

S

K

K

S

G

A

G

L

M

Q

K

G

L

M

M

A

T

R

E

G

T

L

L

A

A

R

L

D

E

F

Y

G

A

P

P

R

K

G

G

I

I

T

R

I
x
V

N

N

V

N

V

I

Q

G

P

P

G

G

P

A

I

I

D

N

T

T

D
x
P

A

I

N

N

P

A

-

E

-

K

-

F

A

A

N

D

G

P

P

E

M

Q

R

R

D

A

M

D

L

V

H
x
E

S

S

L

M

M

I

A

P

I

M

K

G

R
x
Y

H

I

G

G

Q

E

P

P

E

E

V

I

A

A

G

A

M

V

V

A

A

A

W

W

L

L

A

A

G

S

P

S

E

E

A

A

S

S

F

Y

V

V

T

T

G

G

A

I

M

T

H

L

T

F

I

A

D

D

G

G

11:35 (vs. 10:34, 40% identical) binding
E96 (≠ G86) mutation E->A,G,K: Heat stable.
D108 (= D98) mutation to N: Heat stable.
V112 (≠ L102) mutation to A: Heat stable.
E133 (= E123) mutation to K: Heat stable.
V183 (≠ I171) mutation to I: Heat stable.
P194 (≠ D182) mutation to Q: Heat stable.
E210 (≠ H195) mutation to K: Heat stable.
Y217 (≠ R202) mutation to H: Heat stable.

Sites not aligning to the query:

252 Q→L: Heat stable.
253 Y→C: Heat stable.
258 A→G: Heat stable.

4urfB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
35% identity, 98% coverage: 4:235/237 of query aligns to 3:245/248 of 4urfB

query
sites
4urfB

F

L

T

E

G

G

K

K

T

T

V

A

L

L

I

V

L

T

G
|
G

G

A

S
x
G

R
x
N

G
|
G

I
|
I

G

G

A

R

A

T

I

I

V

A

R

L

R

T

F

Y

V

A

T

A

D

E

G

G

A

A

N

N

V

V

R

V

F

V

T

S

Y
x
D

A
x
I

G

S

S

D

K

E

D

W

A

G

A

R

K

E

R

T

L

L

A

A

-

L

-

I

Q

E

E

G

T

K

G

G

A

G

T

K

A

A

V

V

F

F

T

Q

-

H

-

A

D
|
D

S
x
T

A

A

-

H

-

P

-

E

D

D

R

H

D

D

A

E

V

L

I

I

D

A

V

A

R

K

K

R

S

A

-

F

G

G

A

R

L

L

D

D

I

I

L

A

V

C

V

N

N
|
N

A
|
A

G
|
G

I
|
I

-

S

G
|
G

V

E

F

F

G

T

E

P

A

T

L

A

E

E

L

T

N

T

A

D

D

A

D

Q

I

W

D

Q

R
|
R

L

V

F

I

K

G

I

I

N

N

I

L

H

S

A

G

P

V

Y

F

H

Y

A

G

S

V

V

R

E

A

A

Q

A

I

R

R

Q

A

M

M

P

L

E

E

-

T

-

G

G

G

R

A

I

I

L

V

I

N

I
|
I

G

S

S
|
S

V

I

N

A

G

G

D

-

R

Q

M

I

P

G

V

I

A

E

G

G

M
x
I

A

T

A

P

Y
|
Y

A

T

A

A

S

A

K
|
K

S

H

A

G

L

V

Q

V

G

G

M

L

A

T

R

K

G

T

L

V

A

A

R

W

D

E

F

Y

G

G

P

S

R

K

G

G

I

I

T
x
R

I

I

N

N

V

S

V

V

Q

G

P
|
P

G
x
A

P

F

I
|
I

D

N

T
|
T

D

T

A

L

N

-

P

V

A

Q

N

N

G

V

P

P

M

L

-

E

-

T

R

R

D

R

M

Q

L

L

H

E

S

Q

L

M

M

H

A

A

I
x
L

K
x
R

R
|
R

H

L

G

G

Q

E

P

T

E

E

V

V

A

A

G

N

M

L

V

V

A

A

W

W

L

L

A

S

G
x
S

P

D

E

K

A

A

S

S

F

F

V

V

T

T

G

G

A

S

M

Y

H

Y

T

A

I

V

D

D

G

G

A

G

F

Y

active site: G16 (= G17), S142 (= S132), I152 (≠ M143), Y155 (= Y146), K159 (= K150)
binding 3-pyridinium-1-ylpropane-1-sulfonate: L210 (≠ I200), R211 (≠ K201), R212 (= R202)
binding bicarbonate ion: I92 (= I85), G94 (= G86), R109 (= R101), R179 (≠ T170), S228 (≠ G218)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (≠ S15), N15 (≠ R16), G16 (= G17), I17 (= I18), D36 (≠ Y37), I37 (≠ A38), D62 (= D59), T63 (≠ S60), N89 (= N82), A90 (= A83), G91 (= G84), I140 (= I130), Y155 (= Y146), K159 (= K150), P185 (= P176), A186 (≠ G177), I188 (= I179), T190 (= T181)

4urfA Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
35% identity, 98% coverage: 4:235/237 of query aligns to 3:245/248 of 4urfA

query
sites
4urfA

F

L

T

E

G

G

K

K

T

T

V

A

L

L

I

V

L

T

G
|
G

G

A

S
x
G

R
x
N

G
|
G

I
|
I

G

G

A

R

A

T

I

I

V

A

R

L

R

T

F

Y

V

A

T

A

D

E

G

G

A

A

N

N

V

V

R

V

F

V

T

S

Y
x
D

A
x
I

G

S

S

D

K

E

D
x
W

A

G

A

R

K

E

R

T

L

L

A

A

-

L

-

I

Q

E

E

G

T

K

G

G

A

G

T

K

A

A

V

V

F

F

T

Q

-

H

-

A

D
|
D

S
x
T

A

A

-

H

-

P

-

E

D

D

R

H

D

D

A

E

V

L

I

I

D

A

V

A

R

K

K

R

S

A

-

F

G

G

A

R

L

L

D

D

I

I

L

A

V

C

V

N

N
|
N

A
|
A

G
|
G

I
|
I

-
x
S

G
|
G

V
x
E

F

F

G
x
T

E

P

A

T

L

A

E
|
E

L

T

N
x
T

A

D

D

A

D
x
Q

I

W

D

Q

R
|
R

L

V

F

I

K

G

I

I

N

N

I

L

H

S

A

G

P

V

Y

F

H

Y

A

G

S

V

V

R

E

A

A

Q

A

I

R

R

Q

A

M

M

P

L

E

E

-

T

-

G

G

G

R

A

I

I

L

V

I

N

I
|
I

G

S

S
|
S

V

I

N

A

G

G

D

-

R

Q

M

I

P

G

V

I

A

E

G

G

M
x
I

A

T

A

P

Y
|
Y

A

T

A

A

S

A

K
|
K

S

H

A

G

L

V

Q

V

G

G

M

L

A

T

R

K

G

T

L

V

A

A

R

W

D

E

F

Y

G

G

P
x
S

R

K

G
|
G

I

I

T

R

I

I

N

N

V

S

V

V

Q

G

P
|
P

G

A

P

F

I
|
I

D

N

T
|
T

D

T

A

L

N

-

P

V

A

Q

N

N

G

V

P

P

M

L

-

E

-

T

R

R

D

R

M

Q

L

L

H

E

S

Q

L

M

M

H

A

A

I

L

K

R

R

R

H

L

G

G

Q

E

P

T

E

E

V

V

A

A

G

N

M

L

V

V

A

A

W

W

L

L

A

S

G

S

P

D

E

K

A

A

S

S

F

F

V

V

T

T

G

G

A
x
S

M
x
Y

H

Y

T

A

I

V

D

D

G

G

A

G

F

Y

active site: G16 (= G17), S142 (= S132), I152 (≠ M143), Y155 (= Y146), K159 (= K150)
binding 3-pyridinium-1-ylpropane-1-sulfonate: I92 (= I85), S93 (vs. gap), G94 (= G86), E95 (≠ V87), T97 (≠ G89), E101 (= E93), T103 (≠ N95), Q106 (≠ D98), R109 (= R101), S175 (≠ P166), G177 (= G168)
binding magnesium ion: S237 (≠ A227), Y238 (≠ M228)
binding nicotinamide-adenine-dinucleotide: G12 (= G13), G14 (≠ S15), N15 (≠ R16), G16 (= G17), I17 (= I18), D36 (≠ Y37), I37 (≠ A38), W41 (≠ D42), D62 (= D59), T63 (≠ S60), N89 (= N82), A90 (= A83), G91 (= G84), I140 (= I130), Y155 (= Y146), K159 (= K150), P185 (= P176), I188 (= I179), T190 (= T181)

4ureB Molecular genetic and crystal structural analysis of 1-(4- hydroxyphenyl)-ethanol dehydrogenase from aromatoleum aromaticum ebn1 (see paper)
35% identity, 98% coverage: 4:235/237 of query aligns to 3:245/248 of 4ureB

query
sites
4ureB

F

L

T

E

G

G

K

K

T

T

V

A

L

L

I

V

L

T

G

G

G

A

S

G

R
x
N

G
|
G

I
|
I

G

G

A

R

A

T

I

I

V

A

R

L

R

T

F

Y

V

A

T

A

D

E

G

G

A

A

N

N

V

V

R

V

F

V

T

S

Y

D

A

I

G

S

S

D

K

E

D

W

A

G

A

R

K

E

R

T

L

L

A

A

-

L

-

I

Q

E

E

G

T

K

G

G

A

G

T

K

A

A

V

V

F

F

T

Q

-

H

-

A

D

D

S

T

A

A

-

H

-

P

-

E

D

D

R

H

D

D

A

E

V

L

I

I

D

A

V

A

R

K

K

R

S

A

-

F

G

G

A

R

L

L

D

D

I

I

L

A

V

C

V

N

N
|
N

A

A

G
|
G

I

I

-

S

G

G

V

E

F

F

G

T

E

P

A

T

L

A

E

E

L

T

N

T

A

D

D

A

D

Q

I

W

D

Q

R

R

L

V

F

I

K

G

I

I

N

N

I

L

H

S

A

G

P

V

Y

F

H

Y

A

G

S

V

V

R

E

A

A

Q

A

I

R

R

Q

A

M

M

P

L

E

E

-

T

-

G

G

G

R

A

I

I

L

V

I

N

I

I

G

S

S
|
S

V

I

N

A

G

G

D

-

R

Q

M

I

P

G

V

I

A

E

G

G

M
x
I

A

T

A

P

Y
|
Y

A

T

A

A

S

A

K
|
K

S

H

A

G

L

V

Q

V

G

G

M

L

A

T

R

K

G

T

L

V

A

A

R

W

D

E

F

Y

G

G

P

S

R

K

G

G

I

I

T

R

I

I

N

N

V

S

V

V

Q

G

P
|
P

G
x
A

P

F

I

I

D

N

T

T

D

T

A

L

N

-

P

V

A

Q

N

N

G

V

P

P

M

L

-

E

-

T

R

R

D

R

M

Q

L

L

H

E

S

Q

L

M

M

H

A

A

I

L

K

R

R

R

H

L

G

G

Q

E

P

T

E

E

V

V

A

A

G

N

M

L

V

V

A

A

W

W

L

L

A

S

G

S

P

D

E

K

A

A

S

S

F

F

V

V

T

T

G

G

A

S

M

Y

H

Y

T

A

I

V

D

D

G

G

A

G

F

Y

active site: G16 (= G17), S142 (= S132), I152 (≠ M143), Y155 (= Y146), K159 (= K150)
binding 3-pyridinium-1-ylpropane-1-sulfonate: N15 (≠ R16), G16 (= G17), I17 (= I18), N89 (= N82), G91 (= G84), Y155 (= Y146), P185 (= P176), A186 (≠ G177)

Query Sequence

>18274 FitnessBrowser__Keio:18274
MGAFTGKTVLILGGSRGIGAAIVRRFVTDGANVRFTYAGSKDAAKRLAQETGATAVFTDS
ADRDAVIDVVRKSGALDILVVNAGIGVFGEALELNADDIDRLFKINIHAPYHASVEAARQ
MPEGGRILIIGSVNGDRMPVAGMAAYAASKSALQGMARGLARDFGPRGITINVVQPGPID
TDANPANGPMRDMLHSLMAIKRHGQPEEVAGMVAWLAGPEASFVTGAMHTIDGAFGA

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