SitesBLAST

Q9NUI1 Peroxisomal 2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing]; pDCR; 2,4-dienoyl-CoA reductase 2; Short chain dehydrogenase/reductase family 17C member 1; EC 1.3.1.124 from Homo sapiens (Human) (see paper)
44% identity, 89% coverage: 10:254/275 of query aligns to 27:272/292 of Q9NUI1

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Q9NUI1

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GGGSGI 35:40 (≠ GGTSGI 18:23) binding
RSLPR 60:64 (≠ RSQDK 43:47) binding
D86 (= D70) binding ; mutation to A: Reduces enzyme activity by 98%.
D137 (= D121) mutation to A: Reduces enzyme activity by 97%.
K182 (= K165) binding
D186 (= D169) mutation to A: Reduces enzyme activity by about 95%.
208:214 (vs. 191:197, 86% identical) binding
D268 (= D251) mutation to A: Reduces enzyme activity by 97%.

4fc6B Studies on dcr shed new light on peroxisomal beta-oxidation: crystal structure of the ternary complex of pdcr (see paper)
44% identity, 89% coverage: 10:254/275 of query aligns to 25:270/276 of 4fc6B

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4fc6B

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active site: G37 (= G22), A163 (= A148), Q173 (= Q158), H175 (= H160), A176 (≠ V161), K180 (= K165)
binding hexanoyl-coenzyme a: G114 (= G100), N115 (= N101), F116 (= F102), S124 (≠ T110), N126 (= N112), A127 (≠ G113), T130 (≠ A116), L165 (≠ Q150), R217 (= R202)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G33 (= G18), S36 (= S21), G37 (= G22), I38 (= I23), S57 (= S42), R58 (= R43), S59 (= S44), R62 (≠ K47), M83 (≠ F69), D84 (= D70), V85 (= V71), C111 (≠ G97), A112 (= A98), A113 (= A99), I134 (= I120), I161 (= I146), K180 (= K165), P206 (= P191), G207 (= G192), T212 (= T197), E213 (= E198), G214 (= G199)

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
33% identity, 91% coverage: 6:255/275 of query aligns to 1:250/252 of 1vl8B

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1vl8B

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active site: G17 (= G22), S143 (= S147), I154 (≠ Q158), Y157 (≠ V161), K161 (= K165)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G18), R16 (≠ S21), G17 (= G22), L18 (≠ I23), S37 (= S42), R38 (= R43), C63 (≠ F69), D64 (= D70), V65 (= V71), A91 (≠ G97), A92 (= A98), G93 (≠ A99), I94 (≠ G100), V114 (≠ I120), I141 (= I146), S143 (= S147), Y157 (≠ V161), K161 (= K165), P187 (= P191), G188 (= G192), Y190 (≠ I194), T192 (≠ N201), M194 (≠ L203), T195 (≠ A204)

Q9BY49 Peroxisomal trans-2-enoyl-CoA reductase; TERP; 2,4-dienoyl-CoA reductase-related protein; DCR-RP; HPDHase; Short chain dehydrogenase/reductase family 29C member 1; pVI-ARL; EC 1.3.1.38 from Homo sapiens (Human) (see paper)
33% identity, 90% coverage: 10:256/275 of query aligns to 17:267/303 of Q9BY49

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Q9BY49

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Sites not aligning to the query:

303 mutation Missing: Abolishes localization to peroxisomes.

1yxmB Crystal structure of peroxisomal trans 2-enoyl coa reductase
33% identity, 90% coverage: 10:256/275 of query aligns to 10:252/283 of 1yxmB

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1yxmB

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I

V

Q

N

I

I

S

I

A
x
V

P

P

Q

T

A

K

S

A

I

-

A
x
G

M

F

P

P

M

L

Q

A

A

V

H
|
H

V
x
S

C

G

A

A

K
x
R

A

A

G

G

V

V

D

Y

M

N

L

L

T

T

R

K

T

S

L

L

A

A

I

L

E

E

W

W

G

A

C

C

E

S

G

G

I

I

R

R

I

I

N

N

S

C

I

V

I

A

P

P

G

G

P

V

I

I

T

-

G

-

T

-

E

-

G

-

F

Y

N

S

R

Q

L

T

A

A

P

Q

S

S

V

F

L

-

Q

-

Q

E

Q

G

V

S

A

F

Q

Q

S

K

V

I

P

P

L

A

K

K

R

R

N

I

G

G

E

V

G

P

Q

E

D

E

I

V

A

S

N

S

A

V

L

C

F

F

L

L

G

L

S

S

E

P

L

A

A

A

S

S

Y

F

I

I

T

T

G

G

V

Q

V

S

L

V

P

D

V

V

D

D

G

G

W

R

S

S

L

L

active site: G22 (= G22), V152 (≠ A148), G157 (≠ A154), H163 (= H160), S164 (≠ V161), R168 (≠ K165)
binding adenine: S42 (= S42), R43 (= R43), C72 (≠ F69), N73 (≠ D70), I74 (≠ V71), T123 (≠ I120)

5fffA Noroxomaritidine/norcraugsodine reductase in complex with NADP+ and piperonal (see paper)
33% identity, 92% coverage: 7:258/275 of query aligns to 7:257/257 of 5fffA

query
sites
5fffA

F

W

N

S

Y

L

Q

E

G

G

K

T

N

T

V

A

V

L

V

V

V

T

G
|
G

G

G

T
|
T

S

K

G
|
G

I
|
I

N

G

L

H

A

A

I

I

A

V

I

E

A

E

F

L

A

V

H

G

A

F

G

G

A

A

N

R

V

V

A

Y

V

T

A

C

S

S

R
|
R

S

N

Q

E

D

A

K

E

V

L

D

R

A

K

A

C

V

L

L

Q

Q

E

L

W

K

E

Q

N

A

L

H

K

P

Y

E

D

G

V

I

T

H

-

L

-

G

G

V

S

S

V

F
x
C

D
|
D

V
|
V

R

S

D

S

L

R

V

T

A

E

V

R

E

E

Q

K

G

L

F

A

E

E

A

E

I

V

A

S

S

S

E

V

F

F

-

N

G

G

F

K

I

L

D

N

V

I

L

L

V

I

S

N

G
x
N

A

A

A

G

G

G

N
x
Y

F

V

P

N

A

K

T

P

A

I

A

D

K

G

L

F

T

T

A

A

N

E

G

D

F

F

K

S

A

F

V

L

M

V

D

A

I

V

D

N

L

L

L

E

G

S

S

A

F

F

Q

H

V

L

L

C

K

Q

T

L

A

A

Y

H

P

P

L

M

L

L

R

K

R

A

P

S

-

G

Q

T

G

G

N

S

I

I

I

V

Q

H

I
|
I

S

S

A

S

P

C

Q

C

A

A

S

Q

I

I

A

A

M

I

P

P

M

G

Q
x
H

A

S

H

I

V
x
Y

C

S

A

S

A

T

K
|
K

A

G

G

A

V

I

D

N

M

Q

L

L

T

T

R

R

T

N

L

L

A

A

I

C

E

E

W

W

G

A

C

K

E

D

G

N

I

I

R

R

I

T

N

N

S

S

I

I

I

A

P
|
P

G

G

P
x
A

I
|
I

T

R

-
x
T

-

P

G
|
G

T
|
T

E

E

G

S

F

F

N

-

R

-

L

V

A

I

P

D

S
x
K

V

D

V

A

L

L

Q

D

Q

R

Q

E

V

V

A

S

Q

R

S

-

V

V

P

P

L

F

K

G

R

R

N

I

G

G

E

E

G

P

Q

E

D

E

I

V

A

A

N

S

A

L

A

A

L

A

F

F

L

L

G

C

S

M

E

P

L

S

A

A

S

S

Y

Y

I

I

T

T

G

G

V

Q

V

V

L

I

P

C

V

V

D

D

G

G

W

R

S

T

L

I

G

N

G

G

active site: K206 (≠ S206)
binding 1,3-benzodioxole-5-carbaldehyde: Y100 (≠ N101), H158 (≠ Q158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G18), T20 (= T20), G22 (= G22), I23 (= I23), R43 (= R43), C67 (≠ F69), D68 (= D70), V69 (= V71), N96 (≠ G97), I146 (= I146), Y161 (≠ V161), K165 (= K165), P191 (= P191), A193 (≠ P193), I194 (= I194), T196 (vs. gap), G198 (= G196), T199 (= T197)

5ff9B Noroxomaritidine/norcraugsodine reductase in complex with NADP+ and tyramine (see paper)
33% identity, 92% coverage: 7:258/275 of query aligns to 7:257/257 of 5ff9B

query
sites
5ff9B

F

W

N

S

Y

L

Q

E

G

G

K

T

N

T

V

A

V

L

V

V

V

T

G
|
G

G

G

T
|
T

S
x
K

G

G

I
|
I

N

G

L

H

A

A

I

I

A

V

I

E

A

E

F

L

A

V

H

G

A

F

G

G

A

A

N

R

V

V

A

Y

V

T

A

C

S
|
S

R
|
R

S

N

Q

E

D

A

K

E

V

L

D

R

A

K

A

C

V

L

L

Q

Q

E

L

W

K

E

Q

N

A

L

H

K

P

Y

E

D

G

V

I

T

H

-

L

-

G

G

V

S

S

V

F
x
C

D
|
D

V
|
V

R

S

D

S

L

R

V

T

A

E

V

R

E

E

Q

K

G

L

F

A

E

E

A

E

I

V

A

S

S

S

E

V

F

F

-

N

G

G

F

K

I

L

D

N

V

I

L

L

V

I

S

N

G
x
N

A

A

A

G

G

G

N
x
Y

F

V

P

N

A

K

T

P

A

I

A

D

K

G

L

F

T

T

A

A

N

E

G

D

F

F

K

S

A

F

V

L

M

V

D

A

I

V

D

N

L

L

L

E

G

S

S

A

F

F

Q

H

V

L

L

C

K

Q

T

L

A

A

Y

H

P

P

L

M

L

L

R

K

R

A

P

S

-

G

Q

T

G

G

N

S

I

I

I

V

Q

H

I
|
I

S

S

A
x
S

P

C

Q

C

A

A

S

Q

I

I

A

A

M
x
I

P

P

M

G

Q
x
H

A

S

H

I

V
x
Y

C

S

A

S

A

T

K
|
K

A

G

G

A

V

I

D

N

M

Q

L

L

T

T

R

R

T

N

L

L

A

A

I

C

E

E

W

W

G

A

C

K

E

D

G

N

I

I

R

R

I

T

N

N

S

S

I

I

I

A

P
|
P

G

G

P
x
A

I
|
I

T

R

-
x
T

-

P

G
|
G

T
|
T

E

E

G

S

F

F

N

-

R

-

L

V

A

I

P

D

S
x
K

V

D

V

A

L

L

Q

D

Q

R

Q

E

V

V

A

S

Q

R

S

-

V

V

P

P

L

F

K

G

R

R

N

I

G

G

E

E

G

P

Q

E

D

E

I

V

A

A

N

S

A

L

A

A

L

A

F

F

L

L

G

C

S

M

E

P

L

S

A

A

S

S

Y

Y

I

I

T

T

G

G

V

Q

V

V

L

I

P

C

V

V

D

D

G

G

W

R

S

T

L

I

G

N

G

G

active site: K206 (≠ S206)
binding 4-(2-aminoethyl)phenol: Y100 (≠ N101), I155 (≠ M155), H158 (≠ Q158)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G18), T20 (= T20), K21 (≠ S21), I23 (= I23), S42 (= S42), R43 (= R43), C67 (≠ F69), D68 (= D70), V69 (= V71), N96 (≠ G97), I146 (= I146), S148 (≠ A148), Y161 (≠ V161), K165 (= K165), P191 (= P191), A193 (≠ P193), I194 (= I194), T196 (vs. gap), G198 (= G196), T199 (= T197)

A0A1A9TAK5 Noroxomaritidine/norcraugsodine reductase; NorRed; EC 1.1.1.- from Narcissus pseudonarcissus (Daffodil) (see paper)
33% identity, 92% coverage: 7:258/275 of query aligns to 7:257/257 of A0A1A9TAK5

query
sites
A0A1A9TAK5

F

W

N

S

Y

L

Q

E

G

G

K

T

N

T

V

A

V

L

V

V

V

T

G

G

T
|
T

S
x
K

G
|
G

I
|
I

N

G

L

H

A

A

I

I

A

V

I

E

A

E

F

L

A

V

H

G

A

F

G

G

A

A

N

R

V

V

A

Y

V

T

A

C

S
|
S

R
|
R

S

N

Q

E

D

A

K

E

V

L

D

R

A

K

A

C

V

L

L

Q

Q

E

L

W

K

E

Q

N

A

L

H

K

P

Y

E

D

G

V

I

T

H

-

L

-

G

G

V

S

S

V

F

C

D
|
D

V
|
V

R

S

D

S

L

R

V

T

A

E

V

R

E

E

Q

K

G

L

F

A

E

E

A

E

I

V

A

S

S

S

E

V

F

F

-

N

G

G

F

K

I

L

D

N

V

I

L

L

V

I

S

N

G
x
N

A
|
A

A
x
G

G

G

N
x
Y

F

V

P

N

A

K

T

P

A

I

A

D

K

G

L

F

T

T

A

A

N

E

G

D

F

F

K

S

A

F

V

L

M

V

D

A

I

V

D

N

L

L

L

E

G

S

S

A

F

F

Q

H

V

L

L

C

K

Q

T

L

A

A

Y

H

P

P

L

M

L

L

R

K

R

A

P

S

-

G

Q

T

G

G

N

S

I

I

I

V

Q

H

I

I

S

S

A

S

P
x
C

Q

C

A

A

S

Q

I

I

A

A

M

I

P

P

M

G

Q

H

A

S

H

I

V
x
Y

C

S

A

S

A

T

K
|
K

A

G

G

A

V

I

D

N

M

Q

L

L

T

T

R

R

T

N

L

L

A

A

I

C

E

E

W

W

G

A

C

K

E

D

G

N

I

I

R

R

I

T

N

N

S

S

I

I

I

A

P

P

G

G

P

A

I
|
I

T
x
R

-
x
T

-
x
P

G
|
G

T
|
T

E

E

G

S

F

F

N

-

R

-

L

V

A

I

P

D

S

K

V

D

V

A

L

L

Q

D

Q

R

Q

E

V

V

A

S

Q

R

S

-

V

V

P

P

L

F

K

G

R

R

N

I

G

G

E

E

G

P

Q

E

D

E

I

V

A

A

N

S

A

L

A

A

L

A

F

F

L

L

G

C

S

M

E

P

L

S

A

A

S

S

Y

Y

I

I

T

T

G

G

V

Q

V

V

L

I

P

C

V

V

D

D

G

G

W

R

S

T

L

I

G

N

G

G

TKGI 20:23 (≠ TSGI 20:23) binding
SR 42:43 (= SR 42:43) binding
DV 68:69 (= DV 70:71) binding
NAG 96:98 (≠ GAA 97:99) binding
Y100 (≠ N101) binding
C149 (≠ P149) binding
Y161 (≠ V161) binding
K165 (= K165) binding
IRTPGT 194:199 (≠ IT--GT 194:197) binding

3pk0B Crystal structure of short-chain dehydrogenase/reductase sdr from mycobacterium smegmatis (see paper)
37% identity, 92% coverage: 5:256/275 of query aligns to 4:253/262 of 3pk0B

query
sites
3pk0B

T

S

M

M

F

F

N

D

Y

L

Q

Q

G

G

K

R

N

S

V

V

V

T

G

G

T

T

S

K

G
|
G

I

I

N

G

L

R

A

G

I

I

A

A

I

T

A

V

F

F

A

A

H

R

A

A

G

G

A

A

N

N

V

V

A

A

V

V

A

A

S

G

R

R

S

S

Q

T

D

A

K

D

V

I

D

D

A

A

A

C

V

V

L

A

Q

D

L

L

K
x
D

Q

Q

A

L

H
x
G

P

-

E

S

G
|
G

I

K

H

V

L

I

G

G

V

V

S

Q

F

T

D

D

V

V

R

S

D

D

L

R

V

A

A

Q

V

C

E

D

Q

A

G

L

F

A

E

G

A

R

I

A

A

V

S

E

E

E

F

F

G

G

F

G

I

I

D

D

V

V

L

V

V

C

S

A

G

N

A

-

A

A

G

G

N

V

F

F

P

P

-

D

A

A

T

P

A

L

A

A

K

T

L

M

T

T

A

P

N

E

G

Q

F

L

K

N

A

G

V

I

M

F

D

A

I

V

D

N

L

V

L

N

G

G

S

T

F

F

Q

Y

V

A

L

V

K

Q

T

A

A

C

Y

L

P

D

-

A

L

L

L

I

R

A

R

S

P

G

Q

S

G

G

N

R

I

V

Q

L

I

T

S

S

A
x
S

P

I

Q

T

A

G

S

P

I

I

-

T

A

G

M

Y

P

P

M

G

Q
x
W

A

S

H

H

V
x
Y

C

G

A

A

A

T

K
|
K

A

A

G

A

V

Q

D

L

M

G

L

F

T

M

R

R

T

T

L

A

A

A

I

I

E

E

W

L

G

A

C

P

E

H

G

K

I

I

R

T

I

V

N

N

S

A

I

I

I

M

P

P

G

G

P

N

I

I

T

M

G

-

T

T

E

E

G

G

F

L

N

L

R

E

L

N

A

G

P

E

S

E

V

Y

V

I

L

-

Q

-

Q

A

Q

S

V

M

A

A

Q

R

S

S

V

I

P

P

L

A

K

G

R

A

N

L

G

G

E

T

G

P

Q

E

D

D

I

I

A

G

N

H

A

L

A

A

L

A

F

F

L

L

G

A

S

T

E

K

L

E

A

A

S

G

Y

Y

I

I

T

T

G

G

V

Q

V

A

L

I

P

A

V

V

D

D

G

G

W

Q

S

V

L

L

active site: G21 (= G22), S147 (≠ A148), W158 (≠ Q158), Y161 (≠ V161), K165 (= K165)
binding calcium ion: D55 (≠ K56), G58 (≠ H59), G60 (= G62)

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
33% identity, 89% coverage: 12:256/275 of query aligns to 5:246/246 of 3osuA

query
sites
3osuA

K

K

N

S

V

A

V

L

V

V

V

T

G

G

G

A

T

S

S

R

G
|
G

I

I

N

G

L

R

A

S

I

I

A

A

I

L

A

Q

F

L

A

A

H

E

A

E

G

G

A

Y

N

N

V

V

A

A

V

V

-

N

A

Y

S

A

R

G

S

S

Q

K

D

E

K

K

V

A

D

E

A

A

A

V

V

V

L

E

Q

E

L

I

K

K

Q

-

A

-

H

-

P

A

E

K

G

G

I

V

H

D

-

S

L

F

G

A

V

I

S

Q

F

A

D

N

V

V

R

A

D

D

L

A

V

D

A

E

V

V

E

K

Q

A

G

M

F

I

E

K

A

E

I

V

A

V

S

S

E

Q

F

F

G

G

F

S

I

L

D

D

V

V

L

L

V

V

S

N

G
x
N

A

A

A

G

G

I

N

T

F

R

P

D

A

N

T

L

A

L

A

M

K

R

L

M

T

K

A

E

N

Q

G

E

F

W

K

D

A

D

V

V

M

I

D

D

I

T

D

N

L

L

L

K

G

G

S

V

F

F

Q

N

V

C

L

I

K

Q

T

K

A

A

Y

T

P

P

-

Q

L

M

L

L

R

R

R

Q

P

R

Q

S

G

G

N

A

I

I

Q

N

I

L

S

S

A
x
S

P

V

Q

V

A

G

S

A

I

V

A

G

M

N

P

P

M

G

Q
|
Q

A

A

H

N

V
x
Y

C

V

A

A

A

T

K
|
K

A

A

G

G

V

V

D

I

M

G

L

L

T

T

R

K

T

S

L

A

A

A

I

R

E

E

W

L

G

A

C

S

E

R

G

G

I

I

R

T

I

V

N

N

S

A

I

V

I

A

P

P

G

G

P

F

I

I

T

V

G

-

T

S

E

D

G

M

F

T

N

D

R

A

L

L

A

S

P

D

S

E

V

-

L

L

Q

K

Q

E

Q

Q

V

M

A

L

Q

T

S

Q

V

I

P

P

L

L

K

A

R

R

N

F

G

G

E

Q

G

D

Q

T

D

D

I

I

A

A

N

N

A

T

A

V

L

A

F

F

L

L

G

A

S

S

E

D

L

K

A

A

S

K

Y

Y

I

I

T

T

G

G

V

Q

V

T

L

I

P

H

V

V

D

N

G

G

W

M

S

Y

L

M

active site: G15 (= G22), S141 (≠ A148), Q151 (= Q158), Y154 (≠ V161), K158 (= K165)
binding magnesium ion: N89 (≠ G97), K158 (= K165)

Q16698 2,4-dienoyl-CoA reductase [(3E)-enoyl-CoA-producing], mitochondrial; 2,4-dienoyl-CoA reductase [NADPH]; 4-enoyl-CoA reductase [NADPH]; Short chain dehydrogenase/reductase family 18C member 1; EC 1.3.1.124 from Homo sapiens (Human) (see paper)
31% identity, 89% coverage: 8:253/275 of query aligns to 56:302/335 of Q16698

query
sites
Q16698

N

S

Y

F

Q

Q

G

G

K

K

N

V

V

A

V

F

V

I

V

T

G
|
G

T
x
G

S
x
T

G
|
G

I
x
L

N

G

L

K

A

G

I

M

A

T

I

T

A

L

F

L

A

S

H

S

A

L

G

G

A

A

N

Q

V

C

A

V

V

I

A

A

S

S

R
|
R

S

K

Q

M

D

D

K

V

V

L

D

K

A

A

A

T

V

A

L

E

Q

Q

L

I

K

S

Q

S

A

Q

H

T

P

G

E

N

G

K

I

V

H

H

L

-

G

A

V

I

S

Q

F

C

D
|
D

V

V

R
|
R

D

D

L

P

V

D

A

M

V

V

E

Q

Q

N

G

T

F

V

E

S

A

E

I

L

A

I

S

K

E

V

F

A

G

G

F

H

I

P

D

N

V

I

L

V

V

I

S

N

G

N

A

A

G

G

N
|
N

F
|
F

P

I

A

S

T

P

A

T

A

E

K

R

L

L

T
x
S

A

P

N

N

G

A

F

W

K

K

A

T

V

I

M

T

D

D

I

I

D

V

L

L

L

N

G

G

S

T

-

A

F

F

Q

V

V

T

L

L

K

E

T

I

A

G

Y

K

P

Q

L

L

L

I

R

K

R

A

P

Q

Q

K

G

G

N

A

-

A

I

F

I

L

Q

S

I

I

S

T

A

T

P

I

Q
x
Y

A

A

S

E

I

T

A

G

M

S

P

G

M

F

Q

V

A

V

H

P

V
x
S

C

A

A

S

A

A

K
|
K

A

A

G

G

V

V

D

E

M

A

L

M

T

S

R

K

T

S

L

L

A

A

I

A

E

E

W

W

G

G

C

K

E

Y

G

G

I

M

R

R

I

F

N

N

S

V

I

I

I

Q

P
|
P

G
|
G

P
|
P

I
|
I

T

K

G

T

T

K

E

G

G

A

F

F

N

S

R

R

L

L

A

D

P

P

S

T

V

G

V

T

L

F

Q

E

Q

K

Q

E

V

M

A

I

Q

G

S

R

V

I

P

P

L

C

K

G

R

R

N

L

G

G

E

T

G

V

Q

E

D

E

I

L

A

A

N

N

A

L

A

A

L

A

F

F

L

L

G

C

S

S

E

D

L

Y

A

A

S

S

Y

W

I

I

T

N

G

G

V

A

V

V

L

I

P

K

V

F

D

D

G

G

GGGTGL 66:71 (≠ GGTSGI 18:23) binding
R91 (= R43) binding
D117 (= D70) binding
R119 (= R72) binding
N148 (= N101) mutation to A: Reduces enzyme activity by 97%.
F149 (= F102) binding
S157 (≠ T110) binding
Y199 (≠ Q150) mutation to A: Reduces enzyme activity by 99%. Strongly reduced affinity for substrate and for NADP.
S210 (≠ V161) mutation to A: Reduces enzyme activity by over 99%.
K214 (= K165) binding ; mutation to A: Reduces enzyme activity by over 99%.
PGPI 240:243 (= PGPI 191:194) binding

P40288 Glucose 1-dehydrogenase; EC 1.1.1.47 from Priestia megaterium (Bacillus megaterium) (see 2 papers)
31% identity, 89% coverage: 8:253/275 of query aligns to 4:249/261 of P40288

query
sites
P40288

N

D

Y

L

Q

E

G

G

K

K

N

V

V

V

V
|
V

V
x
I

V
x
T

G
|
G

G
x
S

T
x
S

S
x
T

G
|
G

I
x
L

N
x
G

L
x
K

A
x
S

I
x
M

A
|
A

I
|
I

A
x
R

F
|
F

A
|
A

H
x
T

A
x
E

G
x
K

A
|
A

N
x
K

V
|
V

A
x
V

V

V

A

N

S

Y

R

R

S

S

-

K

Q

E

D

D

K

E

V

A

D

N

A

S

A

V

V

L

L

E

Q

E

L

I

K

K

Q

K

A

V

H

G

P

G

E

E

G

A

I

I

-

A

-

V

-

K

-

G

H

D

L

V

G

T

V

V

S

E

F

S

D

D

V

V

R

I

D

N

L

L

V

V

A

-

V

-

E

-

Q

-

G

-

F

-

E

Q

A

S

I

A

A

I

S

K

E

E

F

F

G

G

F

K

I

L

D

D

V

V

L

M

V

I

S

N

G

N

A

A

A

G

G

L

N
x
E

F

N

P

P

A

V

T

S

A

S

A

H

K

E

L

M

T

S

A

L

N

S

G
x
D

F

W

K

N

A

K

V
|
V

M

I

D

D

I

T

D

N

L

L

L

T

G

G

S

A

F

F

Q

L

V

G

L

S

K

R

T

E

A

A

-

I

-

K

Y

Y

P

F

L

V

L
x
E

R

N

R

D

P

I

Q

K

G

G

N

T

I

V

I

I

Q

N

I

M

S

S

A

S

P

V

Q

H

A

E

S

K

I

I

A

P

M

W

P

P

M

L

Q

F

A

V

H

H

V

Y

C

A

A

A

A

S

K

K

A

G

G

G

V

M

D

K

M

L

L

M

T

T

R

E

T

T

L

L

A

A

I

L

E

E

W

Y

G

A

C

P

E

K

G

G

I

I

R

R

I
x
V

N

N

S

N

I

I

I

G

P

P

G

G

P

A

I

I

T

N

G

T

T
x
P

E

I

G

N

F

A

N

E

R

K

L

F

A

A

P

D

S

P

V

-

V

E

L

Q

Q

R

Q

A

Q

D

V

V

A
x
E

Q

S

S

M

V

I

P

P

L

M

K

G

R
x
Y

N

I

G

G

E

E

G

P

Q

E

D

E

I

I

A

A

N

A

A

V

A

A

L

A

F

W

L

L

G

A

S

S

E

S

L

E

A

A

S

S

Y

Y

I

V

T

T

G

G

V

I

V

T

L

L

P

F

V

A

D

D

G

G

11:35 (vs. 15:39, 36% identical) binding
E96 (≠ N101) mutation E->A,G,K: Heat stable.
D108 (≠ G113) mutation to N: Heat stable.
V112 (= V117) mutation to A: Heat stable.
E133 (≠ L136) mutation to K: Heat stable.
V183 (≠ I186) mutation to I: Heat stable.
P194 (≠ T197) mutation to Q: Heat stable.
E210 (≠ A214) mutation to K: Heat stable.
Y217 (≠ R221) 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.

7ucwB Structure of mouse decr1 in complex with 2'-5' oligoadenylate (see paper)
32% identity, 89% coverage: 9:253/275 of query aligns to 23:257/281 of 7ucwB

query
sites
7ucwB

Y

F

Q

Q

G

G

K

K

N

V

V

A

V

F

V

I

V

T

G
|
G

G

G

T

G

S
x
T

G

G

I

L

N

G

L

K

A

A

I

M

A

T

I

T

A

F

F

L

A

S

H

T

A

L

G

G

A

A

N

Q

V

C

A

V

V

I

A

A

S
|
S

R
|
R

S
x
N

Q

I

D

D

K

V

V

L

D

K

A

A

A

T

V

A

L

E

Q

E

L

I

K

S

Q

S

A

K

H

T

P

G

E

N

G

K

I

V

H

H

L

-

G

A

V

I

S

R

F

C

D
|
D

V
|
V

R

R

D

D

L

P

V

D

A

M

V

V

E

H

Q

N

G

T

F

V

E

L

A

E

I

L

A

I

S

K

E

V

F

A

G

G

F

H

I

P

D

D

V

V

L

V

V

I

S

N

G

N

A
|
A

G

G

N

N

F

F

P

I

A

S

T

P

A

S

A

E

K

R

L

L

T

T

A

P

N

N

G

G

F

W

K

K

A

T

V

I

M

T

D

D

I
|
I

D

V

L

L

L

N

G

G

S

T

-

A

F

Y

Q

V

V

T

L

L

K

E

T

I

A

G

Y

K

P

Q

L

L

L

I

R

K

R

A

P

Q

Q

K

G

G

N

A

-

A

-

F

-

L

-

A

I

I

I

T

Q

T

I

I

S

Y

A

A

P

E

Q

S

A

G

S

S

-

G

I

F

A

V

M

M

P

P

M

S

Q

S

A

S

H

-

V

-

C

-

A

-

A

A

K

K

A

S

G

G

V

V

D

E

M

A

L

M

T

N

R

K

T

S

L

L

A

A

I

A

E

E

W

W

G

G

C

R

E

Y

G

G

I

M

R

R

I

F

N

N

S

I

I

I

I

Q

P

P

G

G

P

P

I

I

T

K

G

G

T

R

E

-

G

-

F

-

N

-

R

-

L

-

A

-

P

-

S

-

V

-

L

F

Q

E

Q

K

Q

E

V

M

A

I

Q

D

S

R

V

I

P

P

L

C

K

G

R

R

N

L

G

G

E

T

G

M

Q

E

D

E

I

L

A

A

N

N

A

L

A

A

L

T

F

F

L

L

G

C

S

S

E

D

L

Y

A

A

S

S

Y

W

I

I

T

N

G

G

V

A

V

V

L

I

P

R

V

F

D

D

G

G

binding [[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3R,4R,5R)-5-(6-aminopurin-9-yl)-4-[[(2R,3S,4R,5R)-5-(6-aminopurin-9-yl)-3,4-dihydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl]oxy-3-hydroxy-oxolan-2-yl]methoxy-hydroxy-phosphoryl] phosphono hydrogen phosphate: G32 (= G18), T35 (≠ S21), S56 (= S42), R57 (= R43), N58 (≠ S44), D83 (= D70), V84 (= V71), A111 (= A98), A112 (= A99), I133 (= I120)

4nbuB Crystal structure of fabg from bacillus sp (see paper)
35% identity, 90% coverage: 6:253/275 of query aligns to 2:241/244 of 4nbuB

query
sites
4nbuB

M

M

F

S

N

R

Y

L

Q

Q

G

D

K

K

N

V

V

A

V

I

V

T

G
|
G

G

A

T

A

S
x
N

G
|
G

I
|
I

N

G

L

L

A

E

I

A

A

A

I

R

A

V

F

F

A

M

H

K

A

E

G

G

A

A

N

K

V

V

A

V

V

I

A

A

S

-

R

-

S

-

Q

-

D
|
D

K
x
F

V

N

D

E

A

A

V

G

L

K

Q

E

L

A

K

V

Q

E

A

A

H

N

P

P

E

-

G

-

I

-

H

-

L

-

G

G

V

V

S

V

F

F

-

I

-

R

-
x
V

D
|
D

V
|
V

R

S

D

D

L

R

V

E

A

S

V

V

E

H

Q

R

G

L

F

V

E

E

A

N

I

V

A

A

S

E

E

R

F

F

G

G

F

K

I

I

D

D

V

I

L

L

V

I

S

N

G
x
N

A
|
A

A
x
G

G
x
I

N

T

F

R

P
x
D

A

S

T

M

A

L

A

S

K
|
K

L

M

T

T

A

V

N

D

G

Q

F

F

K

Q

A

Q

V

V

M

I

D

N

I

V

D
x
N

L

L

L

T

G

G

S

V

F

F

Q

H

V

C

L

T

K

Q

T

A

A

V

Y

L

P

P

L

Y

L

M

-

A

R

E

R

Q

P

G

Q

K

G

G

N

K

I

I

Q

N

I
x
T

S

S

A
x
S

P

V

Q

T

A

G

S

T

I

Y

A

G

M
x
N

P
x
V

M

G

Q
|
Q

A

T

H

N

V
x
Y

C

A

A

A

K
|
K

A

A

G

G

V

V

D

I

M

G

L

M

T

T

R

K

T

T

L

W

A

A

I

K

E

E

W

L

G

A

C

R

E

K

G

G

I

I

R

N

I

V

N

N

S

A

I

V

I

A

P
|
P

G

G

P

-

I
x
F

T
|
T

G

E

T
|
T

E

A

G
x
M

F

V

N

A

R

E

L

V

A

-

P

P

S

E

V

K

V

V

L

I

Q

E

Q
x
K

Q

M

V

K

A

A

Q

Q

S

-

V

V

P

P

L

M

K

G

R

R

N

L

G

G

E

K

G

P

Q

E

D

D

I

I

A

A

N

N

A

A

A

Y

L

L

F

F

L

L

G

A

S

S

E

H

L

E

A

S

S

D

Y

Y

I

V

T

N

G

G

V

H

V

V

L

L

P

H

V

V

D

D

G

G

active site: G18 (= G22), N111 (≠ D121), S139 (≠ A148), Q149 (= Q158), Y152 (≠ V161), K156 (= K165)
binding acetoacetyl-coenzyme a: D93 (≠ P103), K98 (= K108), S139 (≠ A148), N146 (≠ M155), V147 (≠ P156), Q149 (= Q158), Y152 (≠ V161), F184 (≠ I194), M189 (≠ G199), K200 (≠ Q211)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G18), N17 (≠ S21), G18 (= G22), I19 (= I23), D38 (= D46), F39 (≠ K47), V59 (vs. gap), D60 (= D70), V61 (= V71), N87 (≠ G97), A88 (= A98), G89 (≠ A99), I90 (≠ G100), T137 (≠ I146), S139 (≠ A148), Y152 (≠ V161), K156 (= K165), P182 (= P191), F184 (≠ I194), T185 (= T195), T187 (= T197), M189 (≠ G199)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
33% identity, 89% coverage: 12:256/275 of query aligns to 2:239/239 of 3sj7A

query
sites
3sj7A

K

K

N

S

V

A

V

L

V

V

V

T

G
|
G

G

A

T
x
S

S
x
R

G
|
G

I
|
I

N

G

L

R

A

S

I

I

A

A

I

L

A

Q

F

L

A

A

H

E

A

E

G

G

A

Y

N

N

V

V

A

A

V

V

-
x
N

A
x
Y

S
x
A

R
x
G

S
|
S

Q

K

D

E

K

K

V

A

D

E

A

A

A

V

V

V

L

E

Q

E

L

I

K

K

Q

-

A

-

H

-

P

A

E

K

G

G

I

V

H

D

-

S

L

F

G

A

V

I

S

Q

F
x
A

D
x
N

V
|
V

R

A

D

D

L

A

V

D

A

E

V

V

E

K

Q

A

G

M

F

I

E

K

A

E

I

V

A

V

S

S

E

Q

F

F

G

G

F

S

I

L

D

D

V

V

L

L

V

V

S

N

G
x
N

A
|
A

A

G

G

I

N

T

F

R

P

D

A

N

T

L

A

L

A

M

K

R

L

M

T

K

A

E

N

Q

G

E

F

W

K

D

A

D

V

V

M

I

D

D

I
x
T

D

N

L

L

L

K

G

G

S

V

F

F

Q

N

V

C

L

I

K

Q

T

K

A

A

Y

T

P

P

-

Q

L

M

L

L

R

R

R

Q

P

R

Q

S

G

G

N

A

I

I

Q

N

I

L

S

S

A
x
S

P

V

Q

V

A

G

S

A

I

V

A

G

M

N

P

P

M

G

Q
|
Q

A

A

H

N

V
x
Y

C

V

A

A

A

T

K
|
K

A

A

G

G

V

V

D

I

M

G

L

L

T

T

R

K

T

S

L

A

A

A

I

R

E

E

W

L

G

A

C

S

E

R

G

G

I

I

R

T

I

V

N

N

S

A

I

V

I

A

P
|
P

G
|
G

P

F

I

I

T

V

G

S

T

D

E

-

G

-

F

-

N

-

R

-

L

-

A

-

P

M

S

T

V

D

V

E

L

L

Q

K

Q

E

Q

Q

V

M

A

L

Q

T

S

Q

V

I

P

P

L

L

K

A

R

R

N

F

G

G

E

Q

G

D

Q

T

D

D

I

I

A

A

N

N

A

T

A

V

L

A

F

F

L

L

G

A

S

S

E

D

L

K

A

A

S

K

Y

Y

I

I

T

T

G

G

V

Q

V

T

L

I

P

H

V

V

D

N

G

G

W

M

S

Y

L

M

active site: G12 (= G22), S138 (≠ A148), Q148 (= Q158), Y151 (≠ V161), K155 (= K165)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G18), S10 (≠ T20), R11 (≠ S21), I13 (= I23), N31 (vs. gap), Y32 (≠ A41), A33 (≠ S42), G34 (≠ R43), S35 (= S44), A58 (≠ F69), N59 (≠ D70), V60 (= V71), N86 (≠ G97), A87 (= A98), T109 (≠ I120), S138 (≠ A148), Y151 (≠ V161), K155 (= K165), P181 (= P191), G182 (= G192)

1g6kA Crystal structure of glucose dehydrogenase mutant e96a complexed with NAD+
31% identity, 89% coverage: 8:253/275 of query aligns to 4:249/261 of 1g6kA

query
sites
1g6kA

N

D

Y

L

Q

E

G

G

K

K

N

V

V

V

V

I

V

T

G

G

G

S

T

S

S
x
T

G
|
G

I
x
L

N

G

L

K

A

S

I

M

A

A

I

I

A

R

F

F

A

A

H

T

A

E

G

K

A

A

N

K

V

V

A

V

V

V

A

N

S

Y

R
|
R

S

S

-

K

Q

E

D

D

K

E

V

A

D

N

A

S

A

V

V

L

L

E

Q

E

L

I

K

K

Q

K

A

V

H

G

P

G

E

E

G

A

I

I

-

A

-

V

-

K

-

G

H
x
D

L
x
V

G

T

V

V

S

E

F

S

D

D

V

V

R

I

D

N

L

L

V

V

A

-

V

-

E

-

Q

-

G

-

F

-

E

Q

A

S

I

A

A

I

S

K

E

E

F

F

G

G

F

K

I

L

D

D

V

V

L

M

V

I

S

N

G
x
N

A
|
A

A
x
G

G

L

N

A

F

N

P

P

A

V

T

S

A

S

A

H

K

E

L

M

T

S

A

L

N

S

G

D

F

W

K

N

A

K

V

V

M

I

D

D

I

T

D

N

L

L

L

T

G

G

S

A

F

F

Q

L

V

G

L

S

K

R

T

E

A

A

-

I

-

K

Y

Y

P

F

L

V

L

E

R

N

R

D

P

I

Q

K

G

G

N

T

I

V

I

I

Q

N

I
x
M

S

S

A
x
S

P

V

Q

H

A

E

S

K

I

I

A

P

M

W

P

P

M

L

Q

F

A

V

H

H

V
x
Y

C

A

A

A

A

S

K
|
K

A

G

G

G

V

M

D

K

M

L

L

M

T

T

R

E

T

T

L

L

A

A

I

L

E

E

W

Y

G

A

C

P

E

K

G

G

I

I

R

R

I

V

N

N

S

N

I

I

I

G

P
|
P

G
|
G

P

A

I
|
I

T

N

G
x
T

T

P

E

I

G

N

F

A

N

E

R

K

L

F

A

A

P

D

S

P

V

-

V

E

L

Q

Q

R

Q

A

Q

D

V

V

A

E

Q

S

S

M

V

I

P

P

L

M

K

G

R

Y

N

I

G

G

E

E

G

P

Q

E

D

E

I

I

A

A

N

A

A

V

A

A

L

A

F

W

L

L

G

A

S

S

E

S

L

E

A

A

S

S

Y

Y

I

V

T

T

G

G

V

I

V

T

L

L

P

F

V

A

D

D

G

G

active site: G18 (= G22), S145 (≠ A148), Y158 (≠ V161), K162 (= K165)
binding nicotinamide-adenine-dinucleotide: T17 (≠ S21), G18 (= G22), L19 (≠ I23), R39 (= R43), D65 (≠ H64), V66 (≠ L65), N92 (≠ G97), A93 (= A98), G94 (≠ A99), M143 (≠ I146), S145 (≠ A148), Y158 (≠ V161), P188 (= P191), G189 (= G192), I191 (= I194), T193 (≠ G196)

4nbtA Crystal structure of fabg from acholeplasma laidlawii (see paper)
35% identity, 90% coverage: 10:256/275 of query aligns to 4:239/239 of 4nbtA

query
sites
4nbtA

Q

E

G

G

K

K

N

V

V

A

V

V

V

I

V

T

G
|
G

G

G

T

A

S
x
K

G
|
G

I
x
L

N

G

L

Q

A

A

I

I

A

A

I

L

A

A

F

Y

A

A

H

E

A

E

G

G

A

A

N

K

V

V

A

-

V

I

A

A

S

G

R
x
D

S
x
L

Q

G

D

D

K

-

V

-

D

-

A

-

V

-

L

-

Q

-

L

L

K

T

Q

Y

A

S

H

H

P

P

-

N

-

V

E

E

G

G

I

M

H

Y

L
|
L

G
x
N

V
|
V

S

T

F

-

D

-

V

-

R

-

D

D

L

V

V

T

A

G

V

V

E

E

Q

K

G

F

F

Y

E

Q

A

S

I

V

A

I

S

D

E

K

F

Y

G

G

F

K

I

I

D

D

V

I

L

L

V

V

S

N

G
x
N

A
|
A

A
x
G

G

I

N

T

F

K

P

D

A

A

T

M

A

T

A

R

K

K

L

M

T

T

A

E

N

A

G

Q

F

W

K

D

A

A

V

V

M

I

D

D

I

V

D

N

L

L

L

K

G

G

S

V

F

F

Q

N

V

L

L

T

K

R

T

L

A

V

Y

G

P

P

L

Q

L

M

R

Q

-

T

R

N

P

G

Q

Y

G

G

N

S

I

I

Q

N

I
|
I

S

S

A
x
S

P

V

Q

V

A

G

S

V

I

F

A

G

M

N

P

I

M

G

Q

Q

A

A

H

N

V
x
Y

C

A

A

A

A

T

K
|
K

A

A

G

G

V

V

D

I

M

G

L

L

T

T

R

M

T

T

L

W

A

A

I

K

E

E

W

F

G

A

C

L

E

K

G

G

-

A

-

N

I

V

R

R

I

V

N

N

S

A

I

I

I

A

P
|
P

G
|
G

P

Y

I
|
I

T

-

G

-

T

M

E
x
T

G

D

F

I

N

L

R

K

L

T

A

V

P

P

S

Q

V

D

V

L

L

L

Q

D

Q

K

Q

F

V

A

A

A

Q

L

S

T

V

M

P

-

L

L

K

N

R

R

N

L

G

G

E

Q

G

P

Q

E

D

E

I

I

A

A

N

K

A

V

A

A

L

L

F

F

L

L

G

A

S

S

E

D

L

D

A

A

S

S

Y

Y

I

V

T

T

G

G

V

Q

V

T

L

I

P

N

V

V

D

N

G

G

W

M

S

R

L

L

active site: G16 (= G22), S132 (≠ A148), Y145 (≠ V161), K149 (= K165)
binding nicotinamide-adenine-dinucleotide: G12 (= G18), K15 (≠ S21), G16 (= G22), L17 (≠ I23), D36 (≠ R43), L37 (≠ S44), L52 (= L65), N53 (≠ G66), V54 (= V67), N80 (≠ G97), A81 (= A98), G82 (≠ A99), I130 (= I146), S132 (≠ A148), Y145 (≠ V161), K149 (= K165), P177 (= P191), G178 (= G192), I180 (= I194), T182 (≠ E198)

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, 91% coverage: 9:257/275 of query aligns to 13:246/247 of P9WGT3

query
sites
P9WGT3

Y

F

Q

V

G

S

K

R

N

S

V

V

V

L

V

V

V
x
T

G

G

T

N

S
x
R

G
|
G

I
|
I

N

G

L

L

A

A

I

I

A

A

I

Q

A

R

F

L

A

A

H

A

A

D

G

G

A

H

N

K

V

V

A

A

V

V

A

T

S

H

R
|
R

S

G

Q

S

D

-

K

-

V

-

D

-

A

-

V

-

L

-

Q

-

L

-

K

-

Q

-

A

G

H

A

P

P

E

K

G

G

I

L

H

-

L

F

G

G

V

V

S

E

F
x
C

D
|
D

V
|
V

R

T

D

D

L

S

V

D

A

A

V

V

E

D

Q

R

G

A

F

F

E

T

A

A

I

V

A

E

S

E

E

H

F

Q

G

G

F

P

I

V

D

E

V

V

L

L

V

V

S

S

G

N

A

A

A
x
G

G

L

N

S

F

A

P

D

A

A

T

F

A

L

A

M

K

R

L

M

T

T

A

E

N

E

G

K

F

F

K

E

A

K

V

V

M

I

D

N

I

A

D

N

L

L

L
x
T

G

G

S

A

F

F

Q

R

V

V

L

A

K

Q

T

R

A

A

Y

S

P

R

L

S

L

M

R

Q

R

R

P

N

Q

K

-

F

G

G

N

R

I

M

I

I

Q

F

I

I

S
x
G

A
x
S

P

V

Q

S

A

G

S
|
S

I

W

A

G

M

I

P

G

M

N

Q

Q

A

A

H

N

V

Y

C

A

A

A

A

S

K

K

A

A

G

G

V

V

D

I

M

G

L

M

T

A

R

R

T

S

L

I

A

A

I

R

E

E

W

L

G

S

C

K

E

A

G

N

I

V

R

T

I

A

N

N

S

V

I

V

I

A

P

P

G

G

P
x
Y

I

I

T

D

G

-

T

T

E

D

G

M

F
x
T

N

R

R

A

L

L

A

D

P

E

S

R

V

I

V

-

L

-

Q

Q

Q

G

V

A

A

L

Q

Q

S

F

V

I

P

P

L

A

K

K

R

R

N

V

G

G

E

T

G

P

Q

A

D

E

I

V

A

A

N

G

A

V

L

S

F

F

L

L

G

A

S

S

E

E

L

D

A

A

S

S

Y

Y

I

I

T

S

G

G

V

A

V

V

L

I

P

P

V

V

D

D

G

G

W

M

S

G

L

M

G

G

T21 (≠ V17) 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 (≠ SGI 21:23) binding
R47 (= R43) binding
C60 (≠ F69) 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 (= DV 70:71) binding
G90 (≠ A99) binding
T114 (≠ L123) 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 (≠ S147) 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 (≠ A148) mutation to A: Loss of activity. Can still bind NADPH.; mutation to T: Loss of activity. Impaired NADPH binding.
S144 (= S152) 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 (≠ P193) mutation to L: 70% decrease in activity with acetoacetyl-CoA as substrate. Does not affect NADP binding.
T191 (≠ F200) 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

3o03A Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2 (see paper)
33% identity, 90% coverage: 7:253/275 of query aligns to 7:245/254 of 3o03A

query
sites
3o03A

F

F

N

S

Y

L

Q

K

G

G

K

K

N

I

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A

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L

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V

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G
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G

G

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F

A

A

I

I

A

A

I

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A

A

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A

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A

A

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G

A

A

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I

A

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V

F

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x
D

R
x
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D

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K
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L

V

V

D

D

A

R

A

G

V

M

L

A

Q

A

L

Y

K

K

Q

A

A

A

H

-

P

-

E

-

G

G

I

I

H

N

L

A

-

H

G

G

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C

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D

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V

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D

D

L

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D

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L

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M

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L

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P

G

G

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G

T

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-

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-

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-

R

-

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active site: G22 (= G22), S147 (≠ A148), V157 (≠ Q158), Y160 (≠ V161), K164 (= K165)
binding calcium ion: S147 (≠ A148), M148 (≠ P149), P190 (= P191)
binding D-gluconic acid: I99 (≠ N101), R101 (≠ P103), S147 (≠ A148), M149 (≠ Q150), R154 (≠ M155), Y160 (≠ V161)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G18), Y21 (≠ S21), G22 (= G22), I23 (= I23), D42 (≠ S42), I43 (≠ R43), L47 (≠ K47), D68 (= D70), V69 (= V71), N95 (≠ G97), A96 (= A98), G97 (≠ A99), I145 (= I146), Y160 (≠ V161), K164 (= K165), P190 (= P191)

Query Sequence

>201541 FitnessBrowser__MR1:201541
MLNTTMFNYQGKNVVVVGGTSGINLAIAIAFAHAGANVAVASRSQDKVDAAVLQLKQAHP
EGIHLGVSFDVRDLVAVEQGFEAIASEFGFIDVLVSGAAGNFPATAAKLTANGFKAVMDI
DLLGSFQVLKTAYPLLRRPQGNIIQISAPQASIAMPMQAHVCAAKAGVDMLTRTLAIEWG
CEGIRINSIIPGPITGTEGFNRLAPSVVLQQQVAQSVPLKRNGEGQDIANAALFLGSELA
SYITGVVLPVDGGWSLGGASIAMTALGELAAKGSN

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