SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ga0059261_2882 FitnessBrowser__Korea:Ga0059261_2882 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)

4b79A The aeropath project and pseudomonas aeruginosa high-throughput crystallographic studies for assessment of potential targets in early stage drug discovery. (see paper)
46% identity, 98% coverage: 3:237/240 of query aligns to 8:233/236 of 4b79A

query
sites
4b79A

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active site: G21 (= G16), S133 (= S133), R143 (≠ A143), Y146 (= Y146), K150 (= K150)
binding nicotinamide-adenine-dinucleotide: G17 (= G12), S19 (≠ I14), S20 (≠ G15), G21 (= G16), I22 (= I17), L42 (≠ Y37), L60 (= L59), D61 (= D60), I62 (≠ V61), N84 (≠ C83), G86 (= G85), L105 (≠ V105), I131 (= I131), Y146 (= Y146), K150 (= K150), P176 (= P176), G177 (= G177), I179 (= I179), T181 (= T181)

4i08A Crystal structure of beta-ketoacyl-acyl carrier protein reductase (fabg) from vibrio cholerae in complex with NADPH (see paper)
38% identity, 98% coverage: 1:236/240 of query aligns to 4:239/243 of 4i08A

query
sites
4i08A

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active site: G19 (= G16), N113 (= N106), S141 (= S133), Q151 (≠ A143), Y154 (= Y146), K158 (= K150)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), S17 (≠ I14), R18 (≠ G15), I20 (= I17), T40 (≠ Y37), N62 (≠ D60), V63 (= V61), N89 (≠ C83), A90 (= A84), G140 (≠ A132), S141 (= S133), Y154 (= Y146), K158 (= K150), P184 (= P176), G185 (= G177), T189 (= T181)

4wecA Crystal structure of a short chain dehydrogenase from mycobacterium smegmatis
41% identity, 100% coverage: 1:239/240 of query aligns to 2:252/258 of 4wecA

query
sites
4wecA

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active site: G21 (= G16), S143 (= S133), Q154 (≠ P144), Y157 (= Y146), K161 (= K150)
binding nicotinamide-adenine-dinucleotide: G17 (= G12), A19 (≠ I14), S20 (≠ G15), G21 (= G16), I22 (= I17), D41 (≠ G36), I42 (≠ Y37), V61 (≠ L59), D62 (= D60), V63 (= V61), N89 (≠ C83), T141 (≠ I131), Y157 (= Y146), K161 (= K150), P187 (= P176), P189 (≠ W178), V190 (≠ I179)

3op4A Crystal structure of putative 3-ketoacyl-(acyl-carrier-protein) reductase from vibrio cholerae o1 biovar eltor str. N16961 in complex with NADP+ (see paper)
37% identity, 98% coverage: 1:236/240 of query aligns to 4:243/247 of 3op4A

query
sites
3op4A

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binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), S17 (≠ I14), R18 (≠ G15), I20 (= I17), T40 (≠ Y37), N62 (≠ D60), V63 (= V61), N89 (≠ C83), A90 (= A84), I92 (≠ T86), V139 (≠ I131), S141 (= S133), Y154 (= Y146), K158 (= K150), P184 (= P176), G185 (= G177), I187 (= I179), T189 (= T181), M191 (≠ L183)

3o03A Quaternary complex structure of gluconate 5-dehydrogenase from streptococcus suis type 2 (see paper)
37% identity, 98% coverage: 3:236/240 of query aligns to 9:245/254 of 3o03A

query
sites
3o03A

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Q

A

R

N

I

I

R

Q

V

C

N

N

A

G

V

I

A

G

P
|
P

G

G

W

Y

I

I

V

A

T

T

P

P

L

Q

T

T

D

H

R

-

Q

-

I

-

D

-

P

-

A

P

L

F

R

D

E

Q

R

F

V

I

I

I

G

A

R

K

T

T

P

P

M

A

R

A

R

R

W

W

G

G

E

E

P

A

R

E

H

D

I

L

A

M

D

G

A

P

V

A

A

V

F

F

L

L

C

A

S

S

D

D

K

A

A

S

S

N

F

F

I

V

T

N

G

G

V

H

V

I

L

L

P

Y

V

V

D

D

G

G

active site: G22 (= G16), S147 (= S133), V157 (≠ A143), Y160 (= Y146), K164 (= K150)
binding calcium ion: S147 (= S133), M148 (= M134), P190 (= P176)
binding D-gluconic acid: I99 (≠ T87), R101 (= R89), S147 (= S133), M149 (= M135), R154 (≠ S140), Y160 (= Y146)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G12), Y21 (≠ G15), G22 (= G16), I23 (= I17), D42 (≠ G36), I43 (≠ Y37), L47 (≠ E41), D68 (= D60), V69 (= V61), N95 (≠ C83), A96 (= A84), G97 (= G85), I145 (= I131), Y160 (= Y146), K164 (= K150), P190 (= P176)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
36% identity, 100% coverage: 1:239/240 of query aligns to 3:254/255 of 5itvA

query
sites
5itvA

M

M

D

N

F

L

T

T

G

D

K

K

R

T

A

V

V

L

V

I

T

T

G
|
G

G

G

I

A

G
x
S

G
|
G

I
|
I

G

G

G

Y

A

A

I

A

S

V

Q

Q

A

A

L

F

H

L

A

G

A

Q

G

Q

A

A

E

N

V

V

A

V

T

A

G
x
D

Y
x
I

D

D

Q

E

A

A

E

Q

V

G

D

E

A

A

R

M

A

V

G

R

E

K

A

E

G

N

F

N

A

D

G

R

I

L

A

H

M

F

K

V

P

Q

L
x
T

D

D

V
x
I

S

T

D

D

D

E

A

A

V

C

R

Q

A

H

F

A

A

V

E

E

D

S

T

A

-

V

-

H

-

T

-

F

G

G

I

L

D

D

F

V

L

L

V

I

N

N

C
x
N

A

A

G
|
G

T

I

-

E

-

I

T

V

A

A

R

P

G

I

H

H

A

E

A

-

F

M

E

E

E

L

E

S

A

D

F

W

Q

N

H

K

V

V

L

L

D

Q

V

V

N

N

L

L

T

T

G

G

T

M

M

F

R

L

C

M

C

S

R

K

-

H

A

A

F

L

R

K

P

H

A

M

L

L

A

A

V

A

R

G

G

K

G

G

A

N

I

I

V

I

N

N

I
x
T

A

C

S
|
S

M

V

M

G

S

G

L

L

F

V

G

A

S

W

G

P

T

D

A

I

P

P

G

A

Y
|
Y

A

N

A

A

S

S

K
|
K

G

G

V

V

A

L

L

Q

L

L

T

T

K

K

S

S

L

M

A

A

I

V

A

D

W

Y

A

A

E

K

Q

H

R

Q

I

I

R

R

V

V

N

N

A

C

V

V

A

C

P
|
P

G
|
G

W
x
I

I
|
I

V

D

T

T

P

P

L

L

T

N

D

E

R

K

Q

S

-

F

-

L

-

E

-

N

-

E

-

G

-

T

I

L

D

E

P

E

A

I

L

K

R

K

E

E

R

K

V

A

I

-

G

K

R

V

T

N

P

P

M

L

R

L

R

R

W

L

G

G

E

K

P

P

R

E

H

E

I

I

A

A

D

N

A

V

V

M

A

L

F

F

L

L

C

A

S

S

D

D

K

L

A

S

S

S

F

Y

I

M

T

T

G

G

V

S

V

A

L

I

P

T

V

A

D

D

G

G

Y

Y

S

T

S

A

active site: G18 (= G16), S141 (= S133), Y154 (= Y146), K158 (= K150)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G12), S17 (≠ G15), G18 (= G16), I19 (= I17), D38 (≠ G36), I39 (≠ Y37), T61 (≠ L59), I63 (≠ V61), N89 (≠ C83), G91 (= G85), T139 (≠ I131), S141 (= S133), Y154 (= Y146), K158 (= K150), P184 (= P176), G185 (= G177), I186 (≠ W178), I187 (= I179)

4hp8B Crystal structure of a putative 2-deoxy-d-gluconate 3-dehydrogenase from agrobacterium tumefaciens (target efi-506435) with bound NADP
40% identity, 98% coverage: 3:237/240 of query aligns to 6:243/246 of 4hp8B

query
sites
4hp8B

F

L

T

E

G

G

K

R

R

K

A

A

V

L

V

V

T

T

G
|
G

G

A

I
x
N

G
x
T

G
|
G

I
x
L

G

G

G

Q

A

A

I

I

S

A

Q

V

A

G

L

L

H

A

A

A

G

G

A

A

E

E

V

V

A

C

T

A

G

A

Y
x
R

D
x
R

Q

A

A

P

E

D

-

E

-

T

V

L

D

D

A

I

R

I

A

A

G

K

E

D

A

G

G

G

F

N

A

A

G

S

I

A

A

L

M

L

K

-

P

-

L

I

D
|
D

V
x
F

S

A

D

D

D

P

A

L

A

A

V

A

R

K

A

D

F

S

A

F

E

T

D

D

T

A

G

G

G

-

I

F

D

D

F

I

L

L

V

V

N

N

C
x
N

A

A

G
|
G

T
x
I

T

I

A

R

R

R

G

A

H

D

A

S

A

V

-

E

F

F

E

S

E

E

E

L

A

D

F

W

Q

D

H

E

V

V

L

M

D

D

V

V

N

N

L

L

T

K

G

A

T

L

M

F

R

F

C

T

R

Q

A

A

F

F

R

A

P

K

A

E

L

L

A

L

V

A

R

K

G

G

-

R

-

S

G

G

A

K

I

V

V

V

N

N

I
|
I

A

A

S
|
S

M

L

S

S

L

F

F

Q

G

G

S

G

G

I

T

R

A
x
V

P

P

G

S

Y
|
Y

A

T

A

A

S

A

K
|
K

G

H

G

G

V

V

A

A

L

G

L

L

T

T

K

K

S

L

L

L

A

A

I

N

A

E

W

W

A

A

E

A

Q

K

R

G

I

I

R

N

V

V

N

N

A

A

V

I

A

A

P
|
P

G
|
G

W

Y

I
|
I

V

E

T
|
T

P

N

L
x
N

T
|
T

D

E

-

A

R

L

Q

R

I

A

D

D

P

A

A

A

L

R

R

N

E

K

R

A

V

I

I

L

G

E

R

R

T

I

P

P

M

A

R

G

R

R

W

W

G

G

E

H

P

S

R

E

H

D

I

I

A

A

D

G

A

A

V

A

A

V

F

F

L

L

C

S

S

S

D

A

K

A

A

A

S

D

F

Y

I

V

T

H

G

G

V

A

V

I

L

L

P

N

V

V

D

D

G

G

Y

W

active site: G19 (= G16), S138 (= S133), V148 (≠ A143), Y151 (= Y146), K155 (= K150)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G12), N17 (≠ I14), T18 (≠ G15), G19 (= G16), L20 (≠ I17), R40 (≠ Y37), R41 (≠ D38), D63 (= D60), F64 (≠ V61), N85 (≠ C83), G87 (= G85), I88 (≠ T86), I136 (= I131), Y151 (= Y146), K155 (= K150), P181 (= P176), G182 (= G177), I184 (= I179), T186 (= T181), N188 (≠ L183), T189 (= T184)

2d1yA Crystal structure of tt0321 from thermus thermophilus hb8 (see paper)
42% identity, 99% coverage: 3:239/240 of query aligns to 3:238/240 of 2d1yA

query
sites
2d1yA

F

F

T

A

G

G

K

K

R

G

A

V

V

L

V

V

T

T

G
|
G

G

G

I

A

G
x
R

G
|
G

I
|
I

G

G

G

R

A

A

I

I

S

A

Q

Q

A

A

L

F

H

A

A

R

A

E

G

G

A

A

E

L

V

V

V

A

A

L

T

C

G
x
D

Y
x
L

-
x
R

-

P

D

E

Q

G

A

K

E

E

V

V

D

A

A

E

R

A

A

I

G

G

E

G

A

A

G

F

F

F

A

-

G

-

I

-

A

-

M

-

K

-

P

Q

L
x
V

D
|
D

V
x
L

S

E

D

D

D

E

A

R

A

E

V

R

R

V

A

R

F

F

A

V

E

E

D

E

T

A

-

A

-

Y

-

A

-

L

G

G

G

R

I

V

D

D

F

V

L

L

V

V

N

N

C
x
N

A
|
A

G
x
A

T
x
I

T

A

A

A

R

P

G

G

H

S

A

A

-

L

A

T

F

V

E

R

E

L

E

P

A

E

F

W

Q

R

H

R

V

V

L

L

D

E

V

V

N

N

L

L

T

T

G

A

T

P

M

M

R

H

C

L

C

S

-

A

R

L

A

A

F

A

R

R

P

E

A

M

L

R

A

K

V

V

R

G

G

G

A

A

I

I

V

V

N

N

I
x
V

A

A

S
|
S

M

V

M

Q

S

G

L

L

F

F

G

A

S

E

G

Q

T

E

A
x
N

P

A

G

A

Y
|
Y

A

N

A

A

S

S

K
|
K

G

G

V

L

A

V

L

N

L

L

T

T

K

R

S

S

L

L

A

A

I

L

A

D

W

L

A

A

E

P

Q

L

R

R

I

I

R

R

V

V

N

N

A

A

V

V

A

A

P
|
P

G
|
G

W

A

I
|
I

V

A

T

-

P

-

L

-

T
|
T

D

E

R
x
A

Q
x
V

I

L

D

E

P

A

A

I

L

A

R

R

E

R

R

D

V

W

I

E

G

D

R

L

T

H

P

A

M

L

R

R

W

L

G

G

E

K

P

P

R

E

H

E

I

V

A

A

D

E

A

A

V

V

A

L

F

F

L

L

C

A

S

S

D

E

K

K

A

A

S

S

F

F

I

I

T

T

G

G

V

A

V

I

L

L

P

P

V

V

D

D

G

G

Y

M

S

T

S

A

active site: G16 (= G16), S135 (= S133), N145 (≠ A143), Y148 (= Y146), K152 (= K150)
binding nicotinamide-adenine-dinucleotide: G12 (= G12), R15 (≠ G15), I17 (= I17), D36 (≠ G36), L37 (≠ Y37), R38 (vs. gap), V55 (≠ L59), D56 (= D60), L57 (≠ V61), N83 (≠ C83), A84 (= A84), A85 (≠ G85), I86 (≠ T86), V133 (≠ I131), S135 (= S133), Y148 (= Y146), K152 (= K150), P178 (= P176), G179 (= G177), I181 (= I179), T183 (= T184), A185 (≠ R186), V186 (≠ Q187)

2cfcA Structural basis for stereo selectivity in the (r)- and (s)-hydroxypropylethane thiosulfonate dehydrogenases (see paper)
39% identity, 97% coverage: 8:240/240 of query aligns to 5:250/250 of 2cfcA

query
sites
2cfcA

A

A

V

I

V

V

T

T

G
|
G

G

A

I

S

G
x
S

G
|
G

I
x
N

G

G

G

L

A

A

I

I

S

A

Q

T

A

R

L

F

H

L

A

A

A

R

G

G

A

D

E

R

V

V

V

A

A

A

T

L

G
x
D

Y
x
L

-

S

-

A

D

E

Q

T

A

L

E

E

V

E

D

T

A

A

R

R

A

T

G

H

E

W

A

H

G

A

F

Y

A

A

G

D

I

K

A

V

M

L

K

R

-

V

P

R

L
x
A

D
|
D

V
|
V

S

A

D

D

-

E

-

G

-

D

-

V

D

N

A

A

V

I

R

A

A

A

F

T

A

M

E

E

D

Q

T

F

G

G

G

A

I

I

D

D

F

V

L

L

V

V

N

N

C
x
N

A
|
A

G
|
G

T

I

T

T

A

G

R

N

G

S

H

E

A

A

A

G

F

V

E

L

E

H

-

T

-

P

-

V

E

E

A

Q

F

F

Q

D

H

K

V

V

L

M

D

A

V

V

N

N

L

V

T

R

G

G

T

I

M

F

R

L

C

G

C

C

R

R

A

A

F

V

R

L

P

P

A

H

L

M

A

L

V

L

R

Q

G

G

-

A

G

G

A

V

I

I

V

V

N

N

I
|
I

A

A

S
|
S

M

V

M

A

S

S

L

L

F

V

G

A

S
x
F

G

P

T

G

A
x
R

P

S

G

A

Y
|
Y

A

T

S

S

K
|
K

G

G

G

A

V

V

A

L

L

Q

L

L

T

T

K

K

S

S

L

V

A

A

I

V

A

D

W

Y

A

A

E

G

Q

S

R

G

I

I

R

R

V

C

N

N

A

A

V

V

A

C

P
|
P

G
|
G

W
x
M

I
|
I

V

E

T
|
T

P
|
P

L
x
M

T
|
T

D

Q

R
x
W

Q
x
R

I

L

D

D

-

Q

P

P

A

E

L

L

R

R

E

D

R

Q

V

V

I

L

G

A

R

R

T

I

P

P

M

Q

R

K

R

E

W

I

G

G

E

T

P

A

R

A

H

Q

I

V

A

A

D

D

A

A

V

V

A

M

F

F

L

L

C

A

S

G

D

E

K

D

A

A

S

T

F

Y

I

V

T

N

G

G

V

A

L

L

P

V

V

M

D

D

G

G

G

A

Y

Y

S

T

S

A

V

I

active site: G13 (= G16), S142 (= S133), Y155 (= Y146), K159 (= K150)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (≠ S140), R152 (≠ A143), Y155 (= Y146), W195 (≠ R186), R196 (≠ Q187)
binding nicotinamide-adenine-dinucleotide: G9 (= G12), S12 (≠ G15), G13 (= G16), N14 (≠ I17), D33 (≠ G36), L34 (≠ Y37), A59 (≠ L59), D60 (= D60), V61 (= V61), N87 (≠ C83), A88 (= A84), G89 (= G85), I140 (= I131), P185 (= P176), G186 (= G177), M187 (≠ W178), I188 (= I179), T190 (= T181), P191 (= P182), M192 (≠ L183), T193 (= T184)

Q56840 2-(R)-hydroxypropyl-CoM dehydrogenase; R-HPCDH; 2-[(R)-2-hydroxypropylthio]ethanesulfonate dehydrogenase; Aliphatic epoxide carboxylation component III; Epoxide carboxylase component III; RHPCDH1; EC 1.1.1.268 from Xanthobacter autotrophicus (strain ATCC BAA-1158 / Py2) (see 4 papers)
39% identity, 97% coverage: 8:240/240 of query aligns to 5:250/250 of Q56840

query
sites
Q56840

A

A

V

I

V

V

T

T

G

G

G

A

I

S

G
x
S

G
|
G

I
x
N

G

G

G

L

A

A

I

I

S

A

Q

T

A

R

L

F

H

L

A

A

A

R

G

G

A

D

E

R

V

V

V

A

A

A

T

L

G
x
D

Y

L

-

S

-

A

D

E

Q

T

A

L

E

E

V

E

D

T

A

A

R

R

A

T

G

H

E

W

A

H

G

A

F

Y

A

A

G

D

I

K

A

V

M

L

K

R

-

V

P

R

L

A

D
|
D

V
|
V

S

A

D

D

-

E

-

G

-

D

-

V

D

N

A

A

V

I

R

A

A

A

F

T

A

M

E

E

D

Q

T

F

G

G

G

A

I

I

D

D

F

V

L

L

V

V

N

N

C
x
N

A

A

G

G

T

I

T

T

A

G

R

N

G

S

H

E

A

A

A

G

F

V

E

L

E

H

-

T

-

P

-

V

E

E

A

Q

F

F

Q

D

H

K

V

V

L

M

D

A

V

V

N

N

L

V

T

R

G

G

T

I

M

F

R

L

C

G

C

C

R

R

A

A

F

V

R

L

P

P

A

H

L

M

A

L

V

L

R

Q

G

G

-

A

G

G

A

V

I

I

V

V

N

N

I

I

A

A

S
|
S

M

V

M

A

S

S

L

L

F

V

G

A

S

F

G

P

T

G

A
x
R

P

S

G

A

Y
|
Y

A

T

S

S

K
|
K

G

G

G

A

V

V

A

L

L

Q

L

L

T

T

K

K

S

S

L

V

A

A

I

V

A

D

W

Y

A

A

E

G

Q

S

R

G

I

I

R
|
R

V

C

N

N

A

A

V

V

A

C

P

P

G

G

W

M

I
|
I

V
x
E

T
|
T

P
|
P

L
x
M

T

T

D

Q

R
x
W

Q
x
R

I

L

D

D

-

Q

P

P

A

E

L

L

R
|
R

E

D

R

Q

V

V

I

L

G

A

R
|
R

T

I

P

P

M

Q

R

K

R

E

W

I

G

G

E

T

P

A

R

A

H

Q

I

V

A

A

D

D

A

A

V

V

A

M

F

F

L

L

C

A

S

G

D

E

K

D

A

A

S

T

F

Y

I

V

T

N

G

G

V

A

L

L

P

V

V

M

D

D

G

G

G

A

Y

Y

S

T

S

A

V

I

SGN 12:14 (≠ GGI 15:17) binding
D33 (≠ G36) binding
DV 60:61 (= DV 60:61) binding
N87 (≠ C83) binding
S142 (= S133) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
R152 (≠ A143) binding ; mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
Y155 (= Y146) mutation Y->E,F: Loss of activity.
K159 (= K150) mutation to A: Loss of activity.
R179 (= R170) mutation to A: Loss of activity.
IETPM 188:192 (≠ IVTPL 179:183) binding
WR 195:196 (≠ RQ 186:187) binding
R196 (≠ Q187) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.
R203 (= R193) mutation to A: Slight decrease in catalytic efficiency.
R209 (= R199) mutation to A: Does not affect catalytic efficiency.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

5t5qC Crystal structure of short-chain dehydrogenase/reductase sdr:glucose/ribitol dehydrogenase from brucella melitensis
38% identity, 98% coverage: 1:236/240 of query aligns to 3:241/245 of 5t5qC

query
sites
5t5qC

M

F

D

E

F

F

T

E

G

N

K

R

R

T

A

L

V

V

V

L

T

T

G

G

G

A

I
x
N

G
|
G

I
|
I

G

G

G

R

A

A

I

I

S

A

Q

E

A

L

L

F

H

H

A

A

A

S

G

G

A

A

E

N

V

L

V

V

A

L

T

T

G
x
D

Y
x
L

D

D

Q

R

A

E

E

G

V

L

D

D

A

A

R

F

A

A

G

A

E

S

A

L

G

G

F

S

A

P

G

E

-

R

I

I

A

A

M

T

K

I

P

K

L

A

D
|
D

V
x
A

S

S

-

S

-

A

D

D

A

A

-

E

-

K

A

T

V

V

R

A

A

L

F

A

A

M

E

E

D

R

T

F

G

G

I

I

D

D

F

F

L

L

V

V

N

P

C
x
S

A

A

G

G

T

I

-

Y

T

Q

A

A

R

K

G

P

H

F

A

A

A

E

F

M

E

S

E

D

E

A

A

D

F

W

Q

H

H

R

V

T

L

I

D

S

V
x
I

N

N

L

L

T

D

G

G

T

V

M

F

R

Y

C

L

C

C

R

K

A

R

F

A

R

L

P

P

A

A

L

L

A

K

V

-

R

E

G

D

G

S

A

S

I

I

V

V

N

T

I

L

A

A

S
|
S

M

L

M

A

S

A

L

Y

F

R

G

G

S

A

G

Y

T

V

A
x
N

P

A

G

H

Y
|
Y

A

G

A

A

S

T

K
|
K

G

G

G

A

V

M

A

V

L

S

L

M

T

T

K

R

S

A

L

L

A

S

I

R

A

E

W

L

A

A

E

-

Q

P

R

K

I

T

R

R

V

V

N

N

A

G

V

V

A

S

P
|
P

G

G

W

I

I
|
I

V

E

T
|
T

P

P

L
x
M

T

T

D

S

R

E

Q

L

I

L

D

K

P

T

A

R

L

M

R

D

E

E

R

-

V

T

I

M

G

T

R

Q

T

T

P

P

M

L

R

K

R

R

W

L

G

G

E

K

P

P

R

S

H

E

I

I

A

A

D

S

A

V

V

I

A

A

F

F

L

L

C

C

S

S

D

P

K

A

A

A

S

S

F

F

I

V

T

T

G

G

V

E

V

T

L

I

P

Q

V

V

D

N

G

G

active site: G18 (= G16), S140 (= S133), N150 (≠ A143), Y153 (= Y146), K157 (= K150)
binding nicotinamide-adenine-dinucleotide: N16 (≠ I14), G17 (= G15), G18 (= G16), I19 (= I17), D38 (≠ G36), L39 (≠ Y37), D63 (= D60), A64 (≠ V61), S90 (≠ C83), I113 (≠ V105), Y153 (= Y146), K157 (= K150), P182 (= P176), I185 (= I179), T187 (= T181), M189 (≠ L183)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
39% identity, 98% coverage: 1:236/240 of query aligns to 1:244/247 of 4jroC

query
sites
4jroC

M

M

D

T

F

L

T

Q

G

G

K

K

R

V

A

A

V

V

T

T

G
|
G

G

G

I
x
S

G
x
R

G
|
G

I
|
I

G

G

G

R

A

D

I

I

S

A

Q

I

A

N

L

L

H

A

A

K

A

E

G

G

A

A

E

N

V

I

V

F

-

F

-
x
N

-
x
Y

-
x
N

-
x
G

-
x
S

-

P

A

E

T

A

G

A

Y

E

D

E

Q

T

A

A

E

K

V

L

D

V

A

A

R

E

A

H

G

G

-

V

-

E

-

V

E

E

A

A

G

M

F

K

A

A

G
x
N

I
x
V

A

A

M

I

K

A

P

E

L

-

D

D

V

V

S

-

D

-

D

D

A

A

A

F

V

F

R

K

A

Q

F

A

A

I

E

E

D

R

T

F

G

G

G

R

I

V

D

D

F

I

L

L

V

V

N

N

C
x
N

A
|
A

G

G

T
x
I

T

T

A

R

R

D

G

N

H

L

A

L

A

M

-

R

F

M

E

K

E

E

E

D

A

E

F

W

Q

D

H

D

V

V

L

I

D

N

V
x
I

N

N

L

L

T

K

G

G

T

T

M

F

R

L

C

C

C

T

R

K

A

A

F

V

-

S

R

R

P

T

A

M

L

M

A

K

V

Q

R

R

G

A

G

G

A

K

I

I

V

I

N

N

I

M

A

A

S
|
S

M

V

S

G

L

L

F

I

G

G

S

N

G

A

T

G

A
x
Q

P

A

G

N

Y
|
Y

A

V

A

A

S

S

K
|
K

G

A

G

G

V

V

A

I

L

G

L

L

T

T

K

K

S

T

L

T

A

A

I

R

A

E

W

L

A

A

E

P

Q

R

R

G

I

I

R

N

V

V

N

N

A

A

V

V

A

A

P
|
P

G

G

W

F

I
|
I

V

T

T
|
T

P

D

L

M

T

T

D

D

R

K

Q

-

I

L

D

D

P

E

A

K

L

T

R

K

E

E

R

A

V

M

I

L

G

A

R

Q

T

I

P

P

M

L

R

G

R

A

W

Y

G

G

E

T

P

T

R

E

H

D

I

I

A

A

D

N

A

A

V

V

A

L

F

F

L

L

C

A

S

S

D

D

K

A

A

S

S

K

F

Y

I

I

T

T

G

G

V

Q

V

T

L

L

P

S

V

V

D

D

G

G

active site: G16 (= G16), S142 (= S133), Q152 (≠ A143), Y155 (= Y146), K159 (= K150)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (≠ I14), R15 (≠ G15), G16 (= G16), I17 (= I17), N35 (vs. gap), Y36 (vs. gap), N37 (vs. gap), G38 (vs. gap), S39 (vs. gap), N63 (≠ G53), V64 (≠ I54), N90 (≠ C83), A91 (= A84), I93 (≠ T86), I113 (≠ V105), S142 (= S133), Y155 (= Y146), K159 (= K150), P185 (= P176), I188 (= I179), T190 (= T181)

P0AEK2 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 Escherichia coli (strain K12) (see 2 papers)
37% identity, 100% coverage: 1:240/240 of query aligns to 1:244/244 of P0AEK2

query
sites
P0AEK2

M

M

D

N

F

F

T

E

G

G

K

K

R

I

A

A

V

L

V

V

T

T

G
|
G

G
x
A

I
x
S

G
x
R

G

G

I

I

G

G

G

R

A

A

I

I

S

A

Q

E

A

T

L

L

H

A

A

A

A

R

G

G

A

A

E

K

V

V

V

I

A

G

T

T

G

A

Y
x
T

D

S

Q

E

A

N

E

G

V

A

D

Q

A

A

R

I

A

S

G

D

E

Y

A

L

G

G

F

A

A

N

G

G

I

K

A

G

M

L

K

M

P

-

L

L

D
x
N

V
|
V

S

T

D

D

D

P

A

A

A

S

V

I

R

E

A

S

F

V

A

L

E

E

-

K

-

I

-

R

-

A

D

E

T

F

G

G

G

E

I

V

D

D

F

I

L

L

V

V

N

N

C
x
N

A

A

G

G

T

I

T

T

A

R

R

D

G

N

H

L

A

L

A

M

-

R

F

M

E

K

E

D

E

E

A

E

F

W

Q

N

H

D

V

I

L

I

D

E

V

T

N

N

L

L

T

S

G

S

T

V

M

F

R

R

C

L

C

S

R

K

A

A

-

V

F

M

R

R

P

A

A

M

L

M

A

K

V

K

R

R

G

H

G

G

A

R

I

I

V

I

N

T

I

I

A

G

S

S

M

V

S

G

L

T

F

M

G

G

S

N

G

G

T

G

A

Q

P

A

G

N

Y
|
Y

A
|
A

S
x
A

K
|
K

G

A

G

G

V

L

A

I

L

G

L

F

T

S

K

K

S

S

L

L

A

A

I

R

A

E

W

V

A

A

E

S

Q

R

R

G

I

I

R

T

V

V

N

N

A

V

V

V

A

A

P

P

G

G

W

F

I
|
I

V

E

T

T

P

D

L

M

T

T

D

-

R

R

Q

A

I

L

D

S

P

D

A

D

L

Q

R

R

E

A

R

G

V

I

I

L

G

A

R

Q

T

V

P

P

M

A

R

G

R

R

W

L

G

G

E

G

P

A

R

Q

H

E

I

I

A

A

D

N

A

A

V

V

A

A

F

F

L

L

C

A

S

S

D

D

K

E

A

A

S

A

F

Y

I

I

T

T

G

G

V
x
E

V

T

L

L

P

H

V

V

D

N

G

G

Y

M

S

Y

S

M

V

V

GASR 12:15 (≠ GGIG 12:15) binding
T37 (≠ Y37) binding
NV 59:60 (≠ DV 60:61) binding
N86 (≠ C83) binding
Y151 (= Y146) mutation to F: Defect in the affinity for NADPH.
YAAAK 151:155 (≠ YAASK 146:150) binding
A154 (≠ S149) mutation to T: Decreases in the thermolability of the reductase; when associated with K-233.
K155 (= K150) mutation to A: Defect in the affinity for NADPH.
I184 (= I179) binding
E233 (≠ V229) mutation to K: Decreases in the thermolability of the reductase; when associated with T-154.

1vl8B Crystal structure of gluconate 5-dehydrogenase (tm0441) from thermotoga maritima at 2.07 a resolution
37% identity, 100% coverage: 1:239/240 of query aligns to 2:251/252 of 1vl8B

query
sites
1vl8B

M

F

D

D

F

L

T

R

G

G

K

R

R

V

A

A

V

L

V

V

T

T

G
|
G

G

G

I

S

G
x
R

G
|
G

I
x
L

G

G

G

F

A

G

I

I

S

A

Q

Q

A

G

L

L

H

A

A

E

A

A

G

G

A

C

E

S

V

V

A

V

T

A

G
x
S

Y
x
R

D

N

Q

L

A

E

E

E

V

A

D

S

A

E

R

A

A

A

G

Q

E

K

-

L

-

T

-

E

-

K

A

Y

G

G

F

V

A

E

G

T

I

M

A

A

M

F

K

R

P

-

L
x
C

D
|
D

V
|
V

S

S

D

N

D

Y

A

E

V

V

R

K

-

K

-

L

-

E

A

A

F

V

A

K

E

E

D

K

T

F

G

G

G

K

I

L

D

D

F

T

L

V

V

V

N

N

C
x
A

A
|
A

G
|
G

T
x
I

T

N

A

R

R

R

G

H

H

P

A

A

A

E

-

E

F

F

E

P

E

L

E

D

A

E

F

F

Q

R

H

Q

V

V

L

I

D

E

V
|
V

N

N

L

L

T

F

G

G

T

T

M

Y

R

Y

C

V

C

C

R

R

-

E

A

A

F

F

R

S

P

L

A

L

L

R

A

E

V

S

R

D

G

N

G

P

A

S

I

I

V

I

N

N

I
|
I

A

G

S
|
S

M

L

M

T

S

-

L

-

F

V

G

E

S

E

G

V

T

T

A

M

P

P

G

N

-
x
I

-

S

-

A

Y
|
Y

A

A

S

S

K
|
K

G

G

V

V

A

A

L

S

L

L

T

T

K

K

S

A

L

L

A

A

I

K

A

E

W

W

A

G

E

R

Q

Y

R

G

I

I

R

R

V

V

N

N

A

V

V

I

A

A

P
|
P

G
|
G

W

W

I
x
Y

V

R

T
|
T

P

K

L
x
M

T
|
T

D

E

R

A

Q

V

I

F

-

S

D

D

P

P

A

E

L

K

R

L

E

D

R

Y

V

M

I

L

G

K

R

R

T

I

P

P

M

L

R

G

R

R

W

T

G

G

E

V

P

P

R

E

H

D

I

L

A

K

D

G

A

V

V

A

A

V

F

F

L

L

C

A

S

S

D

E

K

E

A

A

S

K

F

Y

I

V

T

T

G

G

V

Q

V

I

L

I

P

F

V

V

D

D

G

G

Y

W

S

T

S

A

active site: G17 (= G16), S143 (= S133), I154 (vs. gap), Y157 (= Y146), K161 (= K150)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G12), R16 (≠ G15), G17 (= G16), L18 (≠ I17), S37 (≠ G36), R38 (≠ Y37), C63 (≠ L59), D64 (= D60), V65 (= V61), A91 (≠ C83), A92 (= A84), G93 (= G85), I94 (≠ T86), V114 (= V105), I141 (= I131), S143 (= S133), Y157 (= Y146), K161 (= K150), P187 (= P176), G188 (= G177), Y190 (≠ I179), T192 (= T181), M194 (≠ L183), T195 (= T184)

3lqfA Crystal structure of the short-chain dehydrogenase galactitol- dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD and erythritol (see paper)
42% identity, 98% coverage: 5:238/240 of query aligns to 11:252/254 of 3lqfA

query
sites
3lqfA

G

G

K

A

R

C

A

A

V

A

V

V

T

T

G
|
G

G

A

I

G

G
x
S

G
|
G

I
|
I

G

G

G

L

A

E

I

I

S

C

Q

R

A

A

L

F

H

A

A

A

A

S

G

G

A

A

E

R

V

L

V

I

A

L

T

I

G
x
D

Y
x
R

D

E

Q

A

A

A

E

A

V

L

D

D

A

R

R

A

A

A

G

Q

E

E

A

L

G

G

F

A

A

A

G

V

I

A

A

A

M

R

K

I

P

V

L

A

D
|
D

V
|
V

S

T

D

D

D

A

A

E

A

A

V

M

R

T

A

A

F

A

A

A

E

A

D

E

T

A

G

E

G

A

-

V

-

A

-

P

I

V

D

S

F

I

L

L

V

V

N

N

C
x
S

A

A

G

G

T

I

T

-

A

A

R

R

G

L

H

H

A

D

A

A

F

L

E

E

E

T

E

D

-

D

-

A

A

T

F

W

Q

R

H

Q

V

V

L

M

D

A

V

V

N

N

L

V

T

D

G

G

T

M

M

F

R

W

C

A

C

S

R

R

A

A

F

F

R

G

P

R

A

A

L

M

A

V

V

A

R

R

G

G

-

A

G

G

A

A

I

I

V

V

N

N

I
x
L

A

G

S
|
S

M

M

M

-

S

-

L

-

F

-

G

-

S

S

G

G

T

T

-

I

-

V

-
x
N

-

R

-

P

-

Q

-

F

A

A

P

S

G

S

Y
|
Y

A

M

A

A

S

S

K
|
K

G

G

G

A

V

V

A

H

L

Q

L

L

T

T

K

R

S

A

L

L

A

A

I

A

A

E

W

W

A

A

E

G

Q

R

R

G

I

V

R

R

V

V

N

N

A

A

V

L

A

A

P
|
P

G

G

W
x
Y

I
x
V

V

A

T
|
T

P

E

L
x
M

T
|
T

D

L

R

K

Q
x
M

I

R

D

E

-

R

P

P

A

E

L

L

R

F

E

E

R

T

V

W

I

L

G

D

R

M

T

T

P

P

M

M

R

G

R

R

W

C

G

G

E

E

P

P

R

S

H

E

I

I

A

A

D

A

A

A

V

A

A

L

F

F

L

L

C

A

S

S

D

P

K

A

A

A

S

S

F

Y

I

V

T

T

G

G

V

A

V

I

L

L

P

A

V

V

D

D

G

G

Y

Y

S

T

active site: G22 (= G16), S144 (= S133), Y159 (= Y146), K163 (= K150)
binding meso-erythritol: N151 (vs. gap), Y159 (= Y146), Y191 (≠ W178), T197 (= T184), M200 (≠ Q187)
binding nicotinamide-adenine-dinucleotide: G18 (= G12), S21 (≠ G15), G22 (= G16), I23 (= I17), D42 (≠ G36), R43 (≠ Y37), D66 (= D60), V67 (= V61), S92 (≠ C83), L142 (≠ I131), S144 (= S133), K163 (= K150), P189 (= P176), V192 (≠ I179), T194 (= T181), M196 (≠ L183), T197 (= T184)

2wsbA Crystal structure of the short-chain dehydrogenase galactitol-dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD (see paper)
42% identity, 98% coverage: 5:238/240 of query aligns to 11:252/254 of 2wsbA

query
sites
2wsbA

G

G

K

A

R

C

A

A

V

A

V

V

T

T

G
|
G

G

A

I

G

G
x
S

G
|
G

I
|
I

G

G

G

L

A

E

I

I

S

C

Q

R

A

A

L

F

H

A

A

A

A

S

G

G

A

A

E

R

V

L

V

I

A

L

T

I

G
x
D

Y
x
R

D

E

Q

A

A

A

E

A

V

L

D

D

A

R

R

A

A

A

G

Q

E

E

A

L

G

G

F

A

A

A

G

V

I

A

A

A

M

R

K

I

P

V

L

A

D
|
D

V
|
V

S

T

D

D

D

A

A

E

A

A

V

M

R

T

A

A

F

A

A

A

E

A

D

E

T

A

G

E

G

A

-

V

-

A

-

P

I

V

D

S

F

I

L

L

V

V

N

N

C
x
S

A
|
A

G

G

T

I

T

-

A

A

R

R

G

L

H

H

A

D

A

A

F

L

E

E

E

T

E

D

-

D

-

A

A

T

F

W

Q

R

H

Q

V

V

L

M

D

A

V

V

N

N

L

V

T

D

G

G

T

M

M

F

R

W

C

A

C

S

R

R

A

A

F

F

R

G

P

R

A

A

L

M

A

V

V

A

R

R

G

G

-

A

G

G

A

A

I

I

V

V

N

N

I
x
L

A

G

S
|
S

M
|
M

M

-

S

-

L

-

F

-

G

-

S

S

G

G

T

T

-

I

-

V

-
x
N

-

R

-

P

-

Q

-

F

A

A

P

S

G

S

Y
|
Y

A

M

A

A

S

S

K
|
K

G

G

G

A

V

V

A

H

L

Q

L

L

T

T

K

R

S

A

L

L

A

A

I

A

A

E

W

W

A

A

E

G

Q

R

R

G

I

V

R

R

V

V

N

N

A

A

V

L

A

A

P
|
P

G

G

W
x
Y

I
x
V

V

A

T
|
T

P

E

L
x
M

T
|
T

D

L

R

K

Q

M

I

R

D

E

-

R

P

P

A

E

L

L

R

F

E

E

R

T

V

W

I

L

G

D

R

M

T

T

P

P

M

M

R

G

R

R

W

C

G

G

E

E

P

P

R

S

H

E

I

I

A

A

D

A

A

A

V

A

A

L

F

F

L

L

C

A

S

S

D

P

K

A

A

A

S

S

F

Y

I

V

T

T

G

G

V

A

V

I

L

L

P

A

V

V

D

D

G

G

Y

Y

S

T

active site: G22 (= G16), S144 (= S133), Y159 (= Y146), K163 (= K150)
binding nicotinamide-adenine-dinucleotide: G18 (= G12), S21 (≠ G15), G22 (= G16), I23 (= I17), D42 (≠ G36), R43 (≠ Y37), D66 (= D60), V67 (= V61), S92 (≠ C83), A93 (= A84), L142 (≠ I131), S144 (= S133), Y159 (= Y146), K163 (= K150), P189 (= P176), V192 (≠ I179), T194 (= T181), M196 (≠ L183), T197 (= T184)
binding n-propanol: S144 (= S133), M145 (= M134), N151 (vs. gap), N151 (vs. gap), Y159 (= Y146), Y159 (= Y146), Y191 (≠ W178)

2wdzA Crystal structure of the short chain dehydrogenase galactitol-dehydrogenase (gatdh) of rhodobacter sphaeroides in complex with NAD+ and 1,2-pentandiol (see paper)
42% identity, 98% coverage: 5:238/240 of query aligns to 11:252/254 of 2wdzA

query
sites
2wdzA

G

G

K

A

R

C

A

A

V

A

V

V

T

T

G
|
G

G

A

I

G

G
x
S

G
|
G

I
|
I

G

G

G

L

A

E

I

I

S

C

Q

R

A

A

L

F

H

A

A

A

A

S

G

G

A

A

E

R

V

L

V

I

A

L

T

I

G
x
D

Y
x
R

D

E

Q
x
A

A

A

E

A

V

L

D
|
D

A

R

R

A

A

A

G

Q

E

E

A

L

G

G

F

A

A

A

G

V

I

A

A

A

M
x
R

K

I

P

V

L
x
A

D
|
D

V
|
V

S

T

D

D

D

A

A

E

A

A

V

M

R

T

A

A

F

A

A

A

E

A

D

E

T

A

G

E

G

A

-

V

-

A

-

P

I

V

D

S

F

I

L

L

V

V

N

N

C
x
S

A
|
A

G

G

T

I

T

-

A

A

R

R

G

L

H

H

A

D

A

A

F

L

E

E

E

T

E

D

-

D

-

A

A

T

F

W

Q

R

H

Q

V

V

L

M

D

A

V

V

N

N

L

V

T

D

G

G

T

M

M

F

R

W

C

A

C

S

R

R

A

A

F

F

R

G

P

R

A

A

L

M

A

V

V

A

R

R

G

G

-

A

G

G

A

A

I

I

V

V

N

N

I
x
L

A

G

S
|
S

M

M

M

-

S

-

L

-

F

-

G

-

S
|
S

G

G

T

T

-

I

-

V

-

N

-

R

-

P

-

Q

-

F

A

A

P

S

G

S

Y
|
Y

A

M

A

A

S

S

K
|
K

G

G

G

A

V

V

A

H

L

Q

L

L

T

T

K

R

S

A

L

L

A

A

I

A

A

E

W

W

A

A

E

G

Q

R

R

G

I

V

R

R

V

V

N

N

A

A

V

L

A

A

P
|
P

G

G

W

Y

I
x
V

V

A

T
|
T

P

E

L
x
M

T
|
T

D

L

R

K

Q

M

I

R

D

E

-

R

P

P

A

E

L

L

R

F

E

E

R

T

V

W

I

L

G

D

R

M

T

T

P

P

M

M

R

G

R

R

W

C

G

G

E

E

P

P

R

S

H

E

I

I

A

A

D

A

A

A

V

A

A

L

F

F

L

L

C

A

S

S

D

P

K

A

A

A

S

S

F

Y

I

V

T

T

G

G

V

A

V

I

L

L

P

A

V

V

D

D

G

G

Y

Y

S

T

active site: G22 (= G16), S144 (= S133), Y159 (= Y146), K163 (= K150)
binding (2S)-pentane-1,2-diol: A45 (≠ Q39), D49 (= D43), R62 (≠ M56), S146 (= S140), Y159 (= Y146)
binding nicotinamide-adenine-dinucleotide: G18 (= G12), S21 (≠ G15), G22 (= G16), I23 (= I17), D42 (≠ G36), R43 (≠ Y37), A65 (≠ L59), D66 (= D60), V67 (= V61), S92 (≠ C83), A93 (= A84), L142 (≠ I131), S144 (= S133), Y159 (= Y146), K163 (= K150), P189 (= P176), V192 (≠ I179), T194 (= T181), M196 (≠ L183), T197 (= T184)

C0KTJ6 Galactitol 2-dehydrogenase (L-tagatose-forming); Galactitol dehydrogenase; GDH; GatDH; Galactitol:NAD(+) 5-oxidoreductase; EC 1.1.1.406 from Cereibacter sphaeroides (Rhodobacter sphaeroides) (see paper)
42% identity, 98% coverage: 5:238/240 of query aligns to 11:252/254 of C0KTJ6

query
sites
C0KTJ6

G

G

K

A

R

C

A

A

V

A

V

V

T

T

G

G

G

A

I

G

G
x
S

G
|
G

I
|
I

G

G

G

L

A

E

I

I

S

C

Q

R

A

A

L

F

H

A

A

A

A

S

G

G

A

A

E

R

V

L

V

I

A

L

T

I

G
x
D

Y

R

D

E

Q

A

A

A

E

A

V

L

D

D

A

R

R

A

A

A

G

Q

E

E

A

L

G

G

F

A

A

A

G

V

I

A

A

A

M

R

K

I

P

V

L

A

D
|
D

V
|
V

S

T

D

D

D

A

A

E

A

A

V

M

R

T

A

A

F

A

A

A

E

A

D

E

T

A

G

E

G

A

-

V

-

A

-

P

I

V

D

S

F

I

L

L

V

V

N

N

C

S

A

A

G

G

T

I

T

-

A

A

R

R

G

L

H

H

A

D

A

A

F

L

E

E

E

T

E

D

-

D

-

A

A

T

F

W

Q

R

H

Q

V

V

L

M

D

A

V

V

N

N

L

V

T

D

G

G

T

M

M

F

R

W

C

A

C

S

R

R

A

A

F

F

R

G

P

R

A

A

L

M

A

V

V

A

R

R

G

G

-

A

G

G

A

A

I

I

V

V

N

N

I

L

A

G

S

S

M

M

M

-

S

-

L

-

F

-

G

-

S

S

G

G

T

T

-

I

-

V

-

N

-

R

-

P

-

Q

-

F

A

A

P

S

G

S

Y
|
Y

A

M

A

A

S

S

K
|
K

G

G

G

A

V

V

A

H

L

Q

L

L

T

T

K

R

S

A

L

L

A

A

I

A

A

E

W

W

A

A

E

G

Q

R

R

G

I

V

R

R

V

V

N

N

A

A

V

L

A

A

P

P

G

G

W

Y

I
x
V

V
x
A

T
|
T

P

E

L

M

T

T

D

L

R

K

Q

M

I

R

D

E

-

R

P

P

A

E

L

L

R

F

E

E

R

T

V

W

I

L

G

D

R

M

T

T

P

P

M

M

R

G

R

R

W

C

G

G

E

E

P

P

R

S

H

E

I

I

A

A

D

A

A

A

V

A

A

L

F

F

L

L

C

A

S

S

D

P

K

A

A

A

S

S

F

Y

I

V

T

T

G

G

V

A

V

I

L

L

P

A

V

V

D

D

G

G

Y

Y

S

T

SGI 21:23 (≠ GGI 15:17) binding
D42 (≠ G36) binding
DV 66:67 (= DV 60:61) binding
Y159 (= Y146) binding
K163 (= K150) binding
VAT 192:194 (≠ IVT 179:181) binding

Sites not aligning to the query:

254 binding

4nbuB Crystal structure of fabg from bacillus sp (see paper)
36% identity, 96% coverage: 6:236/240 of query aligns to 8:241/244 of 4nbuB

query
sites
4nbuB

K

K

R

V

A

A

V

I

T

T

G
|
G

G

A

I

A

G
x
N

G
|
G

I
|
I

G

G

G

L

A

E

I

A

S

A

Q

R

A

V

L

F

H

M

A

K

A

E

G

G

A

A

E

K

V

V

A

I

T

A

G
x
D

Y
x
F

D

N

Q

E

A

A

E

-

V

A

D

G

A

K

R

E

A

A

G

V

E

E

A

A

G

N

F

-

A

P

G

G

I

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A

V

M

F

K

I

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R

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x
V

D
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D

V
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V

S

S

D

D

D

R

A

E

A

S

V

V

R

H

A

R

F

L

A

V

E

E

D

N

T

V

-

A

-

E

-

R

-

F

G

G

G

K

I

I

D

D

F

I

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L

V

I

N

N

C
x
N

A
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A

G
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G

T
x
I

T

T

A

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R
x
D

G

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M

-

L

A

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x
K

F

M

E

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E

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E

D

A

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F

F

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H

Q

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V

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I

D

N

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N
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N

L

L

T

T

G

G

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M

F

R

H

C

C

C

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R

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A

A

F

V

R

L

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P

A

Y

L

M

A

A

V

E

R

Q

G

G

-

K

G

G

A

K

I

I

V

I

N

N

I
x
T

A

S

S
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S

M

V

M

T

S

G

L

T

F

Y

G

G

S
x
N

G
x
V

T

G

A
x
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T

G

N

Y
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Y

A

A

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A

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K

G

A

G

G

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V

A

I

L

G

L

M

T

T

K

K

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T

L

W

A

A

I

K

A

E

W

L

A

A

E

R

Q

K

R

G

I

I

R

N

V

V

N

N

A

A

V

V

A

A

P
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P

G

G

W
x
F

I
x
T

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T
|
T

P

A

L
x
M

T

V

D

-

R

A

Q

E

I

V

D

P

P

E

A

K

L

V

R

I

E

E

R
x
K

V

M

I

K

G

A

R

Q

T

V

P

P

M

M

R

G

R

R

W

L

G

G

E

K

P

P

R

E

H

D

I

I

A

A

D

N

A

A

V

Y

A

L

F

F

L

L

C

A

S

S

D

H

K

E

A

S

S

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T

N

G

G

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H

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V

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G

active site: G18 (= G16), N111 (= N106), S139 (= S133), Q149 (≠ A143), Y152 (= Y146), K156 (= K150)
binding acetoacetyl-coenzyme a: D93 (≠ R89), K98 (≠ A93), S139 (= S133), N146 (≠ S140), V147 (≠ G141), Q149 (≠ A143), Y152 (= Y146), F184 (≠ W178), M189 (≠ L183), K200 (≠ R195)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G12), N17 (≠ G15), G18 (= G16), I19 (= I17), D38 (≠ G36), F39 (≠ Y37), V59 (≠ L59), D60 (= D60), V61 (= V61), N87 (≠ C83), A88 (= A84), G89 (= G85), I90 (≠ T86), T137 (≠ I131), S139 (= S133), Y152 (= Y146), K156 (= K150), P182 (= P176), F184 (≠ W178), T185 (≠ I179), T187 (= T181), M189 (≠ L183)

6t77A Crystal structure of klebsiella pneumoniae fabg(NADPH-dependent) NADP- complex at 1.75 a resolution (see paper)
37% identity, 100% coverage: 1:240/240 of query aligns to 1:244/244 of 6t77A

query
sites
6t77A

M

M

D

S

F

F

T

E

G

G

K

K

R

I

A

A

V

L

V

V

T

T

G
|
G

G

A

I
x
S

G
x
R

G
|
G

I

I

G

G

G

R

A

A

I

I

S

A

Q

E

A

T

L

L

H

V

A

A

A

R

G

G

A

A

E

K

V

V

V

I

A

G

T

T

G

A

Y
x
T

D

S

Q

E

A

S

E

G

V

A

D

Q

A

A

R

I

A

S

G

D

E

Y

A

L

G

G

F

A

A

N

G

G

I

K

A

G

M

L

K

M

P

-

L
|
L

D
x
N

V
|
V

S

T

D

D

D

P

A

A

A

S

V

I

R

E

A

S

F

V

A

L

E

E

D

N

T

V

-

R

-

A

-

E

-

F

G

G

G

E

I

V

D

D

F

I

L

L

V

V

N

N

C

N

A
|
A

G
|
G

T
x
I

T

T

A

R

R

D

G

N

H

L

A

L

A

M

-

R

F

M

E

K

E

D

A

E

F

W

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N

H

D

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I

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I

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E

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T

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N

L

L

T

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G

S

T

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L

C

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A

A

-

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F

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A

A

M

L

M

A

K

V

K

R

R

G

H

G

G

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R

I

I

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I

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I

I

A

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S
|
S

M

V

S

G

L

T

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M

G

G

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N

G

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G

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Y
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Y

A

A

S

A

K

K

G

A

G

G

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L

A

I

L

G

L

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T

S

K

K

S

S

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L

A

A

I

R

A

E

W

V

A

A

E

S

Q

R

R

G

I

I

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V

N

N

A

V

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V

A

A

P

P

G

G

W

F

I

I

V

E

T

T

P

D

L

M

T

T

D

-

R

R

Q

A

I

L

D

T

P

D

A

E

L

Q

R

R

E

A

R

G

V

T

I

L

G

A

R

A

T

V

P

P

M

A

R

G

R

R

W

L

G

G

E

T

P

P

R

N

H

E

I

I

A

A

D

S

A

A

V

V

A

A

F

F

L

L

C

A

S

S

D

D

K

E

A

A

S

S

F

Y

I

I

T

T

G

G

V

E

V

T

L

L

P

H

V

V

D

N

G

G

Y

M

S

Y

S

M

V

V

active site: G16 (= G16), S138 (= S133), Y151 (= Y146)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G12), S14 (≠ I14), R15 (≠ G15), T37 (≠ Y37), L58 (= L59), N59 (≠ D60), V60 (= V61), A87 (= A84), G88 (= G85), I89 (≠ T86)

Query Sequence

>Ga0059261_2882 FitnessBrowser__Korea:Ga0059261_2882
MDFTGKRAVVTGGIGGIGGAISQALHAAGAEVVATGYDQAEVDARAGEAGFAGIAMKPLD
VSDDAAVRAFAEDTGGIDFLVNCAGTTARGHAAFEEEAFQHVLDVNLTGTMRCCRAFRPA
LAVRGGAIVNIASMMSLFGSGTAPGYAASKGGVALLTKSLAIAWAEQRIRVNAVAPGWIV
TPLTDRQIDPALRERVIGRTPMRRWGEPRHIADAVAFLCSDKASFITGVVLPVDGGYSSV

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