SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Synpcc7942_1596 FitnessBrowser__SynE:Synpcc7942_1596 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)

Q9P7B4 NADP-dependent 3-hydroxy acid dehydrogenase; L-allo-threonine dehydrogenase; EC 1.1.1.381 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
33% identity, 97% coverage: 4:241/245 of query aligns to 1:246/259 of Q9P7B4

query
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Q9P7B4

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S42 (≠ G44) modified: Phosphoserine
T43 (≠ R45) modified: Phosphothreonine

2bd0D Chlorobium tepidum sepiapterin reductase complexed with NADP and sepiapterin (see paper)
30% identity, 95% coverage: 12:243/245 of query aligns to 4:238/240 of 2bd0D

query
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2bd0D

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active site: S144 (= S146), Y157 (= Y159), K161 (= K163)
binding biopterin: F98 (≠ T100), S144 (= S146), Y157 (= Y159), M194 (≠ L196), W195 (= W197)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G16), K11 (≠ S19), I13 (= I21), S39 (≠ G40), R40 (= R41), T41 (≠ D42), D65 (= D67), I66 (≠ L68), N92 (= N94), G94 (= G96), V95 (≠ T97), T115 (≠ L117), S144 (= S146), Y157 (= Y159), K161 (= K163), P187 (= P189), A189 (≠ S191), V190 (= V192), T192 (= T194), P193 (≠ A195), M194 (≠ L196), W195 (= W197)

2bd0A Chlorobium tepidum sepiapterin reductase complexed with NADP and sepiapterin (see paper)
30% identity, 95% coverage: 12:243/245 of query aligns to 4:238/240 of 2bd0A

query
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2bd0A

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active site: S144 (= S146), Y157 (= Y159), K161 (= K163)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G8 (= G16), K11 (≠ S19), G12 (= G20), I13 (= I21), R40 (= R41), T41 (≠ D42), D65 (= D67), I66 (≠ L68), N92 (= N94), A93 (= A95), G94 (= G96), V95 (≠ T97), T115 (≠ L117), I142 (≠ V144), S144 (= S146), K161 (= K163), P187 (= P189), A189 (≠ S191), V190 (= V192), T192 (= T194), P193 (≠ A195), M194 (≠ L196), W195 (= W197)

Q8KES3 Sepiapterin reductase; SPR; cSR; EC 1.1.1.325 from Chlorobaculum tepidum (strain ATCC 49652 / DSM 12025 / NBRC 103806 / TLS) (Chlorobium tepidum) (see 2 papers)
30% identity, 95% coverage: 12:243/245 of query aligns to 5:239/244 of Q8KES3

query
sites
Q8KES3

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9:15 (vs. 16:22, 71% identical) binding
SRT 40:42 (≠ GRD 40:42) binding
DI 66:67 (≠ DL 67:68) binding
N93 (= N94) binding
F99 (≠ T100) binding ; mutation to A: Drastically reduces activity. Complete loss of activity; when associated with A-196.
T116 (≠ L117) binding
S145 (= S146) binding
Y158 (= Y159) binding ; binding
K162 (= K163) binding
VYTPMW 191:196 (≠ VDTALW 192:197) binding
W196 (= W197) binding ; mutation to A: Drastically reduces activity. Complete loss of activity; when associated with A-99.

Q05016 NADP-dependent 3-hydroxy acid dehydrogenase; L-allo-threonine dehydrogenase; EC 1.1.1.-; EC 1.1.1.381 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)
37% identity, 78% coverage: 7:196/245 of query aligns to 11:205/267 of Q05016

query
sites
Q05016

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V

S

L

L

A

R

A

K

E

E

E

L

R

I

S

N

H

T

G

K

I

I

R

R

V

V

S

I

L

L

I

I

C

A

P

P

G

G

S

L

V

V

D

E

T

T

A

E

L

F

N102 (= N94) binding
Y168 (= Y159) binding
K172 (= K163) binding

3rkuA Substrate fingerprint and the structure of NADP+ dependent serine dehydrogenase from saccharomyces cerevisiae complexed with NADP+
37% identity, 78% coverage: 7:196/245 of query aligns to 12:206/268 of 3rkuA

query
sites
3rkuA

L

L

P

A

S

K

P

K

F

T

V

V

L

L

I

I

T

T

G
|
G

A

A

S
|
S

S

A

G
|
G

I
|
I

G

G

A

K

A

A

T

T

A

A

H

L

A

E

F

Y

A

L

Q

E

A

A

G

S

-

N

-

G

-

D

W

M

S

K

L

L

L

I

L

L

L

A

G

A

R
|
R

D
x
R

R

L

G

E

R

K

L

L

Q

E

S

E

V

L

A

K

E

K

S

T

A

I

R

D

S

Q

Q

E

G

F

-

P

A

N

A

A

A

K

V

V

A

H

T

V

Y

A

S

Q

L

L

D
|
D

L
x
I

T

T

N

Q

L

A

T

E

A

K

I

I

G

K

P

P

A

F

I

I

A

E

Q

N

L

L

V

P

E

Q

Q

E

F

F

G

K

V

D

P

I

D

D

V

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

T
x
K

A
|
A

-

L

-

G

-

S

-

D

Q

R

T

V

G

G

P

Q

L

I

A

A

T

T

L

-

S

-

L

-

S

E

D

D

L

I

E

Q

C

D

I

V

F

F

A

D

L

T

N
|
N

V

V

H

T

S

A

P

L

L

I

L

N

V

I

V

T

Q

Q

A

A

L

V

L

L

P

P

G

I

M

F

R

Q

Q

A

R

K

Q

N

R

S

G

G

L

D

I

I

L

V

N

N

V

L

A

G

S
|
S

I

I

A

A

A

G

Q

R

Q

D

A

A

F

Y

P

P

D

T

W

G

G

S

A

I

Y
|
Y

C

C

A

A

S

S

K
|
K

S

F

A

A

L

V

A

G

A

A

W

F

S

T

R

D

V

S

L

L

A

R

A

K

E

E

E

L

R

I

S

N

H

T

G

K

I

I

R

R

V

V

S

I

L

L

I

I

C

A

P
|
P

G
|
G

S

L

V
|
V

D

E

T
|
T

A
x
E

L
x
F

active site: A107 (= A98), N128 (= N118), S156 (= S146), Y169 (= Y159), K173 (= K163)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G21 (= G16), S23 (= S18), G25 (= G20), I26 (= I21), R49 (= R41), R50 (≠ D42), D76 (= D67), I77 (≠ L68), N103 (= N94), A104 (= A95), G105 (= G96), K106 (≠ T97), S156 (= S146), Y169 (= Y159), K173 (= K163), P199 (= P189), G200 (= G190), V202 (= V192), T204 (= T194), E205 (≠ A195), F206 (≠ L196)

Sites not aligning to the query:

active site: 214

3rkrA Crystal structure of a metagenomic short-chain oxidoreductase (sdr) in complex with NADP (see paper)
32% identity, 96% coverage: 5:240/245 of query aligns to 1:218/221 of 3rkrA

query
sites
3rkrA

S

S

F

S

L

L

P

S

S

G

P

Q

F

V

V

A

L

V

I

V

T

T

G
|
G

A

A

S

S

S
x
R

G
|
G

I

I

G

G

A

A

T

I

A

A

H

R

A

K

F

L

A

G

Q

S

A

L

G

G

W

A

S

R

L

V

L

L

L

T

G
x
A

R
|
R

D
|
D

R

V

G

E

R

K

L

L

Q

R

S

A

V

V

A

E

E

R

S

E

A

I

R

V

S

A

Q

A

G

G

A

G

A

E

A

A

V

-

A

E

T

S

Y

H

S

A

L
x
C

D
|
D

L
|
L

T

S

N

H

L

S

T

D

A

A

I

I

G

A

P

A

A

F

I

A

A

T

Q

G

L

V

V

L

E

A

Q

A

F

H

G

G

V

R

P

C

D

D

V

V

L

L

I

V

N

N

A
|
A

G
|
G

T
x
V

A
x
G

Q

W

-

F

T

G

G

G

P

P

L

L

A

H

T

T

L

M

S

K

L

P

S

A

D

E

L

W

E

D

C

A

I

L

F

I

A

A

L

V

N

N

V

L

H

K

S

A

P

P

L

Y

L

L

V

L

Q

R

A

A

L

F

L

A

P

P

G

A

M

M

R

I

Q

A

R

A

Q

K

R

R

G

G

L

H

I

I

L

I

N

N

V

I

A

S

S
|
S

I

L

A

A

A

G

Q

K

Q

N

A

P

F

V

P

A

D

D

W

G

G

A

A

A

Y
|
Y

C

T

A

A

S

S

K
|
K

S

W

A

G

L

L

A

N

A

G

W

L

S

M

R

T

V

S

L

A

A

A

A

E

E

E

E

L

R

R

S

Q

H

H

G

Q

I

V

R

R

V

V

S

S

L

L

I

V

C

A

P

P

G

G

S

S

V

V

D

-

T

-

A

-

L

-

W

-

D

-

Q

-

P

-

S

-

V

-

G

-

A

-

N

-

F

-

D

-

R

-

Q

-

A

-

M

A

L

I

R

E

P

P

E

D

T

D

V

I

A

A

Q

D

V

V

L

V

L

A

Q

L

V

L

A

A

T

T

L

Q

P

A

E

D

T

Q

A

S

V

F

V

I

D

S

E

E

L

V

T

L

L

V

M

R

P

P

active site: G16 (= G20), S142 (= S146), Y155 (= Y159), K159 (= K163)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G16), R15 (≠ S19), A36 (≠ G40), R37 (= R41), D38 (= D42), C61 (≠ L66), D62 (= D67), L63 (= L68), A90 (= A95), G91 (= G96), V92 (≠ T97), G93 (≠ A98)

3p19A Improved NADPH-dependent blue fluorescent protein (see paper)
32% identity, 95% coverage: 9:240/245 of query aligns to 2:234/239 of 3p19A

query
sites
3p19A

S

K

P

K

F

L

V

V

L

V

I

I

T

T

G
|
G

A

A

S
|
S

G
|
G

I
|
I

G

G

A

E

A

A

T

I

A

A

H

R

A

R

F

F

A

S

Q

E

A

E

G

G

W

H

S

P

L

L

G
x
A

R
|
R

D
x
R

R

V

G

E

R

R

L

L

Q

K

S

A

V

L

A

-

E

-

S

-

A

-

R

-

S

-

Q

-

G

N

A

L

A

P

A

N

V

T

A

L

T

C

Y

A

S

Q

L

V

D
|
D

L
x
V

T

T

N

D

L

K

T

Y

A

T

I

F

G

D

P

T

A

A

I

I

A

T

Q

R

L

A

V

E

E

K

Q

I

F

Y

G

G

V

P

P

A

D

D

V

A

L

I

I

V

N

N

N
|
N

A
|
A

G
|
G

T

M

A

M

Q

L

T

L

G

G

P

Q

L

I

A

D

T

T

L

Q

S

E

L

A

S

N

D

E

L

W

E

Q

C

R

I

M

F

F

A

D

L

V

N

N

V

V

H

L

S

G

P

L

L

L

L

N

V

G

V

M

Q

Q

A

A

L

V

L

L

P

A

G

P

M

M

R

K

Q

A

R

R

Q

N

R

C

G

G

L

T

I

I

L

I

N

N

V
x
I

A

S

S
|
S

I

I

A

A

A

G

Q

K

A

T

F

F

P

P

D

D

W

H

G

A

A

A

Y
|
Y

C

C

A

G

S

T

K
|
K

S

F

A

A

L

V

A

H

A

A

W

I

S

S

R

E

V

N

L

V

A

R

A

E

E

E

E

V

R

A

S

A

H

S

G

N

I

V

R

R

V

V

S

M

L

T

I

I

C

A

P
|
P

G

S

S
x
A

V
|
V

D

K

T
|
T

A
x
E

L
|
L

W

L

-

S

-

H

-

T

-

S

D

Q

Q

Q

P

I

S

K

V

D

G

G

A

Y

N

D

-

A

-

W

-

R

F

V

D

D

R

M

Q

G

A

G

M

V

L

L

R

A

P

A

E

D

T

D

V

V

A

A

Q

R

V

A

L

V

L

L

Q

F

V

A

A

Y

T

Q

L

Q

P

P

E

Q

T

N

A

V

V

C

V

I

D

R

E

E

L

I

T

A

L

L

M

A

P

P

active site: S132 (= S146), Y145 (= Y159), K149 (= K163)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G9 (= G16), S11 (= S18), S12 (= S19), G13 (= G20), I14 (= I21), A33 (≠ G40), R34 (= R41), R35 (≠ D42), D53 (= D67), V54 (≠ L68), N80 (= N94), A81 (= A95), G82 (= G96), I130 (≠ V144), S132 (= S146), Y145 (= Y159), K149 (= K163), P175 (= P189), A177 (≠ S191), V178 (= V192), T180 (= T194), E181 (≠ A195), L182 (= L196)

8g89A Hsd17b13 in complex with cofactor and inhibitor (see paper)
32% identity, 87% coverage: 12:223/245 of query aligns to 38:247/285 of 8g89A

query
sites
8g89A

V

V

L

L

I

I

T

T

G
|
G

A

A

S

G

S
x
H

G
|
G

I
|
I

G

G

A

R

A

W

T

T

A

A

H

Y

A

E

F

F

A

A

Q

K

A

Q

G

K

W

S

S

R

L

L

L

V

L

L

L

W

G
x
D

R
x
I

D

N

R

K

G

H

R

G

L

V

Q

E

S

E

V

T

A

A

E

A

S

E

A

C

R

R

S

K

Q

L

G

G

A

A

A

T

A

-

V

V

A

H

T

T

Y

F

S

V

L
x
V

D
|
D

L
x
C

T

G

N

N

L

R

T

E

A

D

I

I

G

Y

P

N

A

S

I

V

A

K

Q

Q

L

V

V

K

E

K

Q

E

F

V

G

G

V

D

P

V

D

T

V

I

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

T

T

A

V

Q

Y

T

P

G

A

P

D

L

L

A

L

T

S

L

T

S

K

L

D

S

E

D

E

L

I

E

T

C

K

I

T

F

F

A

E

L
x
I

N

N

V

I

H

L

S

G

P

H

L

F

L

W

V

I

V

T

Q

K

A

A

L

L

P

P

G

S

M

M

R

I

Q

K

R

R

Q

N

R

H

G

G

L

H

I

I

L

V

N

T

V

V

A

A

S
|
S

I

V

A
x
C

A

G

Q

H

Q

G

A

V

F
x
I

P
|
P

D
x
Y

W

L

G

I

A

P

Y
|
Y

C

C

A

S

S

S

K
|
K

S

F

A

A

L

A

A

V

A

G

W

F

S

H

R

R

V

A

L

L

A

T

A

L

E

E

E

L

R

Q

S

T

-

L

-

G

-

I

H

T

G

G

I

I

R

K

V

T

S

S

L

C

I

L

C

C

P
|
P

G
x
V

S
x
F

V
|
V

D

N

T
|
T

A

G

L
x
F

W
x
T

D
x
K

Q

N

P

P

S

S

V

T

G

R

A

L

N

-

F

-

D

-

R

-

Q

W

A

P

M

I

L

L

R

E

P

T

E

D

T

T

V

V

A

A

Q

R

V

S

L

L

L

I

Q

D

binding nicotinamide-adenine-dinucleotide: G42 (= G16), H45 (≠ S19), G46 (= G20), I47 (= I21), D66 (≠ G40), I67 (≠ R41), V91 (≠ L66), D92 (= D67), C93 (≠ L68), N119 (= N94), A120 (= A95), G121 (= G96), I142 (≠ L117), S171 (= S146), Y184 (= Y159), K188 (= K163), P217 (= P189), V218 (≠ G190), F219 (≠ S191), V220 (= V192), T222 (= T194), F224 (≠ L196)
binding 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide: S171 (= S146), C173 (≠ A148), I178 (≠ F153), P179 (= P154), Y180 (≠ D155), Y184 (= Y159), F219 (≠ S191), T225 (≠ W197), K226 (≠ D198)

Sites not aligning to the query:

binding 3-fluoro-N-({(1r,4r)-4-[(2-fluorophenoxy)methyl]-1-hydroxycyclohexyl}methyl)-4-hydroxybenzamide: 285

8g84A Crystal structures of hsd17b13 complexes (see paper)
32% identity, 87% coverage: 12:223/245 of query aligns to 38:247/297 of 8g84A

query
sites
8g84A

V

V

L

L

I

I

T

T

G
|
G

A

A

S

G

S
x
H

G
|
G

I
|
I

G

G

A

R

A

W

T

T

A

A

H

Y

A

E

F

F

A

A

Q

K

A

Q

G

K

W

S

S

R

L

L

L

V

L

L

L

W

G
x
D

R
x
I

D

N

R

K

G

H

R

G

L

V

Q

E

S

E

V

T

A

A

E

A

S

E

A

C

R

R

S

K

Q

L

G

G

A

A

A

T

A

-

V

V

A

H

T

T

Y

F

S

V

L
x
V

D

D

L
x
C

T

G

N

N

L

R

T

E

A

D

I

I

G

Y

P

N

A

S

I

V

A

K

Q

Q

L

V

V

K

E

K

Q

E

F

V

G

G

V

D

P

V

D

T

V

I

L

L

I

V

N

N

N
|
N

A

A

G
|
G

T

T

A

V

Q

Y

T

P

G

A

P

D

L

L

A

L

T

S

L

T

S

K

L

D

S

E

D

E

L

I

E

T

C

K

I

T

F

F

A

E

L
x
I

N

N

V

I

H

L

S

G

P

H

L

F

L

W

V

I

V

T

Q

K

A

A

L

L

P

P

G

S

M

M

R

I

Q

K

R

R

Q

N

R

H

G

G

L

H

I

I

L

V

N

T

V
|
V

A

A

S
|
S

I

V

A

C

A

G

Q

H

Q

G

A

V

F

I

P

P

D

Y

W

L

G

I

A

P

Y
|
Y

C

C

A

S

S

S

K
|
K

S

F

A

A

L

A

A

V

A

G

W

F

S

H

R

R

V

A

L

L

A

T

A

L

E

E

E

L

R

Q

S

T

-

L

-

G

-

I

H

T

G

G

I

I

R

K

V

T

S

S

L

C

I

L

C

C

P
|
P

G

V

S

F

V
|
V

D

N

T
|
T

A

G

L
x
F

W

T

D

K

Q

N

P

P

S

S

V

T

G

R

A

L

N

-

F

-

D

-

R

-

Q

W

A

P

M

I

L

L

R

E

P

T

E

D

T

T

V

V

A

A

Q

R

V

S

L

L

L

I

Q

D

binding nicotinamide-adenine-dinucleotide: G42 (= G16), H45 (≠ S19), G46 (= G20), I47 (= I21), D66 (≠ G40), I67 (≠ R41), V91 (≠ L66), C93 (≠ L68), N119 (= N94), G121 (= G96), I142 (≠ L117), V169 (= V144), S171 (= S146), Y184 (= Y159), K188 (= K163), P217 (= P189), V220 (= V192), T222 (= T194), F224 (≠ L196)

8g9vE Crystal structures of 17-beta-hydroxysteroid dehydrogenase 13 (see paper)
32% identity, 78% coverage: 12:201/245 of query aligns to 39:230/293 of 8g9vE

query
sites
8g9vE

V

V

L

L

I

I

T

T

G
|
G

A

A

S

G

S
x
H

G
|
G

I
|
I

G

G

A

R

A

Q

T

T

A

T

H

Y

A

E

F

F

A

A

Q

K

A

R

G

K

W

S

S

R

L

L

L

V

L

L

L

W

G
x
D

R
x
I

D

N

R

K

G

H

R

G

L

V

Q

E

S

E

V

T

A

A

E

A

S

E

A

C

R

R

S

K

Q

L

G

G

A

V

A

T

A

A

V

H

A

A

T

-

Y

Y

S

V

L

V

D
|
D

L
x
C

T

S

N

N

L

R

T

E

A

E

I

I

G

Y

P

R

A

S

I

L

A

N

Q

Q

L

V

V

K

E

K

Q

E

F

V

G

G

V

D

P

V

D

T

V

I

L

V

I

V

N

N

N
|
N

A
|
A

G
|
G

T

T

A

V

Q

Y

T

P

G

A

P

D

L

L

A

L

T

S

L

T

S

K

L

D

S

E

D

E

L

I

E

T

C

K

I

T

F

F

A

E

L

V

N

N

V

I

H

L

S

G

P

H

L

F

L

W

V

I

V

T

Q

K

A

A

L

L

P

P

G

S

M

M

R

M

Q

K

R

R

Q

N

R

H

G

G

L

H

I

I

L

V

N

T

V
|
V

A

A

S
|
S

I
x
V

A
x
C

A

G

Q

H

Q

E

A

G

F
x
I

P

P

D

Y

W

L

G

I

A

P

Y
|
Y

C

C

A

S

S

S

K
|
K

S

F

A

A

L

A

A

V

A

G

W

F

S

H

R

R

V

G

L

L

A

T

A

S

E

E

E

L

R

Q

-

A

-

L

-

G

S

K

H

T

G

G

I

I

R

K

V

T

S

S

L

C

I

L

C

C

P
|
P

G
x
V

S
x
F

V
|
V

D

N

T
|
T

A

G

L
x
F

W

T

D

K

Q

N

P

P

S

S

binding nicotinamide-adenine-dinucleotide: G43 (= G16), H46 (≠ S19), G47 (= G20), I48 (= I21), D67 (≠ G40), I68 (≠ R41), D93 (= D67), C94 (≠ L68), N120 (= N94), A121 (= A95), G122 (= G96), V170 (= V144), S172 (= S146), Y185 (= Y159), K189 (= K163), P218 (= P189), F220 (≠ S191), V221 (= V192), T223 (= T194), F225 (≠ L196)
binding 4-{[2,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid: S172 (= S146), V173 (≠ I147), C174 (≠ A148), I179 (≠ F153), Y185 (= Y159), V219 (≠ G190), F220 (≠ S191), F225 (≠ L196)

Sites not aligning to the query:

binding 4-{[2,5-dimethyl-3-(4-methylbenzene-1-sulfonyl)benzene-1-sulfonyl]amino}benzoic acid: 234, 266

Q7Z5P4 17-beta-hydroxysteroid dehydrogenase 13; 17-beta-HSD 13; Hepatic retinol/retinal dehydrogenase; Short chain dehydrogenase/reductase family 16C member 3; Short-chain dehydrogenase/reductase 9; EC 1.1.1.-; EC 1.1.1.62; EC 1.1.1.105 from Homo sapiens (Human) (see 2 papers)
32% identity, 78% coverage: 12:201/245 of query aligns to 39:230/300 of Q7Z5P4

query
sites
Q7Z5P4

V

V

L

L

I

I

T

T

G

G

A

A

S

G

S

H

G
|
G

I
|
I

G
|
G

A

R

A

Q

T

T

A

T

H

Y

A

E

F

F

A

A

Q

K

A

R

G

Q

W

S

S

I

L

L

L

V

L

L

L

W

G

D

R

I

D
x
N

R
x
K

G
x
R

R
x
G

L
x
V

Q
x
E

S
x
E

V
x
T

A
|
A

E
x
A

S
x
E

A
x
C

R
|
R

S
x
K

Q
x
L

G
|
G

A
x
V

A
x
T

A
|
A

V
x
H

A
|
A

T

-

Y
|
Y

S
x
V

L
x
V

D
|
D

L
x
C

T
x
S

N
|
N

L
x
R

T
x
E

A
x
E

I
|
I

G
x
Y

P
x
R

A
x
S

I
x
L

A
x
N

Q
|
Q

L

V

V

K

E

K

Q

E

F

V

G

G

V

D

P

V

D

T

V

I

L

V

I

V

N

N

A

A

G

G

T

T

A

V

Q

Y

T

P

G

A

P

D

L

L

A

L

T

S

L

T

S

K

L

D

S

E

D

E

L

I

E

T

C

K

I

T

F

F

A

E

L

V

N
|
N

V

I

H

L

S

G

P

H

L

F

L

W

V

I

V

T

Q
x
K

A

A

L

L

L
|
L

P

P

G

S

M

M

R

M

Q

E

R

R

Q

N

R

H

G

G

L

H

I

I

L

V

N

T

V

V

A

A

S
|
S

I

V

A

C

A

G

Q

H

Q

E

A

G

F

I

P

P

D

Y

W

L

G

I

A

P

Y
|
Y

C

C

A

S

S

S

K
|
K

S

F

A

A

L

A

A

V

A

G

W

F

S

H

R

R

V

G

L
|
L

A

T

A

S

E
|
E

E

L

R

Q

-

A

-

L

-

G

S
x
K

H

T

G

G

I

I

R

K

V

T

S

S

L

C

I

L

C

C

P

P

G

V

S

F

V

V

D

N

T

T

A

G

L

F

W

T

D

K

Q

N

P

P

S

S

GIG 47:49 (= GIG 20:22) mutation to AIA: Loss of retinol/retinal dehydrogenase activity.
69:84 (vs. 42:57, 19% identical) mutation Missing: Does not localize to lipid droplets.
85:93 (vs. 58:67, 40% identical) mutation Missing: Does not localize to lipid droplets.
94:106 (vs. 68:80, 23% identical) mutation Missing: Does not localize to lipid droplets.
R97 (≠ L71) mutation to A: Decreased retinol/retinal dehydrogenase activity; when associated with A-101.
Y101 (≠ G75) mutation to A: Decreased retinol/retinal dehydrogenase activity; when associated with A-97.
N144 (= N118) mutation to A: Loss of retinol/retinal dehydrogenase activity.
K153 (≠ Q127) mutation to A: Loss of retinol/retinal dehydrogenase activity; when associated with A-156.
L156 (= L130) mutation to A: Loss of retinol/retinal dehydrogenase activity; when associated with A-153.
S172 (= S146) mutation to A: Loss of retinol/retinal dehydrogenase activity.
Y185 (= Y159) mutation to A: Loss of retinol/retinal dehydrogenase activity; when associated with A-189.
K189 (= K163) mutation to A: Loss of retinol/retinal dehydrogenase activity; when associated with A-185.
L199 (= L173) mutation to A: Loss of retinol/retinal dehydrogenase activity; when associated with A-202.
E202 (= E176) mutation to A: Loss of retinol/retinal dehydrogenase activity; when associated with A-199.
K208 (≠ S179) mutation to A: Decreased retinol/retinal dehydrogenase activity.

Sites not aligning to the query:

22:28 mutation Missing: Does not localize to lipid droplets.
260 P → S: loss of retinol/retinal dehydrogenase activity; does not affect localization to lipid droplets; dbSNP:rs62305723

2cfcA Structural basis for stereo selectivity in the (r)- and (s)-hydroxypropylethane thiosulfonate dehydrogenases (see paper)
34% identity, 79% coverage: 9:202/245 of query aligns to 2:202/250 of 2cfcA

query
sites
2cfcA

S

S

P

R

F

V

V

A

L

I

I

V

T

T

G
|
G

A

A

S

S

S
|
S

G
|
G

I
x
N

G

G

A

L

A

A

T

I

A

A

H

T

A

R

F

F

A

L

Q

A

A

R

G

G

W

D

S

R

L

V

L

A

L

L

G
x
D

R
x
L

D

S

R

A

G

E

R

T

L

L

Q

E

S

E

V

T

A

A

E

R

S

T

A

H

R

W

S

H

Q

A

G

Y

A

A

A

D

A

K

V

V

A

L

T

R

Y

V

S

R

L
x
A

D
|
D

L
x
V

T

A

N

D

L

E

T

G

A

D

I

V

G

N

P

A

A

A

I

I

A

A

Q

A

L

T

V

M

E

E

Q

Q

F

F

G

G

V

A

P

I

D

D

V

V

L

L

I

V

N

N

N
|
N

A
|
A

G
|
G

-

I

-

T

-

G

T

N

A

S

Q

E

T

A

G

G

P

V

L

L

A

H

T

T

L

T

S

P

L

V

S

E

D

Q

L

F

E

D

C

K

I

V

F

M

A

A

L

V

N

N

V

V

H

R

S

G

P

I

L

F

L

L

V

G

V

C

Q

R

A

A

L

V

L

L

P

P

G

H

M

M

R

L

Q

L

R

Q

Q

G

R

A

G

G

L

V

I

I

L

V

N

N

V
x
I

A

A

S
|
S

I

V

A

A

A

S

Q

L

Q

V

A

A

F
|
F

P

P

D

G

W
x
R

G

S

A

A

Y
|
Y

C

T

A

T

S

S

K
|
K

S

G

A

A

L

V

A

L

A

Q

W

L

S

T

R

K

V

S

L

V

A

A

A

V

E

D

E

Y

R

A

S

G

H

S

G

G

I

I

R

R

V

C

S

N

L

A

I

V

C

C

P
|
P

G
|
G

S
x
M

V
x
I

D

E

T
|
T

A
x
P

L
x
M

-
x
T

-

Q

W
|
W

-
x
R

-

L

D

D

Q

Q

P

P

S

E

V

L

active site: G13 (= G20), S142 (= S146), Y155 (= Y159), K159 (= K163)
binding (2-[2-ketopropylthio]ethanesulfonate: F149 (= F153), R152 (≠ W156), Y155 (= Y159), W195 (= W197), R196 (vs. gap)
binding nicotinamide-adenine-dinucleotide: G9 (= G16), S12 (= S19), G13 (= G20), N14 (≠ I21), D33 (≠ G40), L34 (≠ R41), A59 (≠ L66), D60 (= D67), V61 (≠ L68), N87 (= N94), A88 (= A95), G89 (= G96), I140 (≠ V144), P185 (= P189), G186 (= G190), M187 (≠ S191), I188 (≠ V192), T190 (= T194), P191 (≠ A195), M192 (≠ L196), T193 (vs. gap)

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)
34% identity, 79% coverage: 9:202/245 of query aligns to 2:202/250 of Q56840

query
sites
Q56840

S

S

P

R

F

V

V

A

L

I

I

V

T

T

G

G

A

A

S

S

S
|
S

G
|
G

I
x
N

G

G

A

L

A

A

T

I

A

A

H

T

A

R

F

F

A

L

Q

A

A

R

G

G

W

D

S

R

L

V

L

A

L

L

G
x
D

R

L

D

S

R

A

G

E

R

T

L

L

Q

E

S

E

V

T

A

A

E

R

S

T

A

H

R

W

S

H

Q

A

G

Y

A

A

A

D

A

K

V

V

A

L

T

R

Y

V

S

R

L

A

D
|
D

L
x
V

T

A

N

D

L

E

T

G

A

D

I

V

G

N

P

A

A

A

I

I

A

A

Q

A

L

T

V

M

E

E

Q

Q

F

F

G

G

V

A

P

I

D

D

V

V

L

L

I

V

N

N

N
|
N

A

A

G

G

-

I

-

T

-

G

T

N

A

S

Q

E

T

A

G

G

P

V

L

L

A

H

T

T

L

T

S

P

L

V

S

E

D

Q

L

F

E

D

C

K

I

V

F

M

A

A

L

V

N

N

V

V

H

R

S

G

P

I

L

F

L

L

V

G

V

C

Q

R

A

A

L

V

L

L

P

P

G

H

M

M

R

L

Q

L

R

Q

Q

G

R

A

G

G

L

V

I

I

L

V

N

N

V

I

A

A

S
|
S

I

V

A

A

A

S

Q

L

Q

V

A

A

F

F

P

P

D

G

W
x
R

G

S

A

A

Y
|
Y

C

T

A

T

S

S

K
|
K

S

G

A

A

L

V

A

L

A

Q

W

L

S

T

R

K

V

S

L

V

A

A

A

V

E

D

E

Y

R

A

S

G

H

S

G

G

I

I

R
|
R

V

C

S

N

L

A

I

V

C

C

P

P

G

G

S

M

V
x
I

D
x
E

T
|
T

A
x
P

L
x
M

-

T

-

Q

W
|
W

-
x
R

-

L

D

D

Q

Q

P

P

S

E

V

L

SGN 12:14 (≠ SGI 19:21) binding
D33 (≠ G40) binding
DV 60:61 (≠ DL 67:68) binding
N87 (= N94) binding
S142 (= S146) mutation to A: Retains weak activity. 120-fold decrease in kcat.; mutation to C: Loss of activity.
R152 (≠ W156) 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 (= Y159) mutation Y->E,F: Loss of activity.
K159 (= K163) mutation to A: Loss of activity.
R179 (= R183) mutation to A: Loss of activity.
IETPM 188:192 (≠ VDTAL 192:196) binding
WR 195:196 (≠ W- 197) binding
R196 (vs. gap) mutation to A: Almost loss of activity with the natural substrate 2-KPC, but does not affect activity with 2-butanone as substrate.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
203 R→A: Slight decrease in catalytic efficiency.
209 R→A: Does not affect catalytic efficiency.

2ehdB Crystal structure analysis of oxidoreductase
33% identity, 93% coverage: 12:240/245 of query aligns to 7:212/213 of 2ehdB

query
sites
2ehdB

V

V

L

L

I

I

T

T

G

G

A

A

S

S

S

R

G

G

I

I

G

G

A

E

A

A

T

T

A

A

H

R

A

L

F

L

A

H

Q

A

A

K

G

G

W

Y

S

R

L

V

L

G

L

L

L

M

G

A

R
|
R

D
|
D

R

E

G

K

R

R

L

L

Q

Q

S

A

V

L

A

A

E

-

S

-

A

A

R

E

S

L

Q

E

G

G

A

A

A

L

A

P

V

L

A

P

T

G

Y

-

S

-

L

-

D

D

L

V

T

R

N

E

L

E

T

G

A

D

I

W

G

A

P

R

A

A

I

V

A

A

Q

A

L

M

V

E

E

E

Q

A

F

F

G

G

V

E

P

L

D

S

V

A

L

L

I

V

N

N

A

A

G

G

T

V

A

G

Q

V

T

M

G

K

P

P

L

V

A

H

T

E

L

L

S

T

L

L

S

E

D

E

L

W

E

R

C

L

I

V

F

L

A

D

L

T

N

N

V

L

H

T

S

G

P

A

L

F

L

L

V

G

V

I

Q

R

A

H

L

A

L

V

P

P

G

A

M

L

R

L

Q

R

R

R

Q

G

R

G

G

G

L

T

I

I

L

V

N

N

V

V

A
x
G

S

S

I

L

A

A

A

G

Q

K

Q

N

A

P

F

F

P

K

D

G

W

G

G

A

A

A

Y
|
Y

C

N

A

A

S

S

K
|
K

S

F

A

G

L

L

A

L

A

G

W

L

S

A

R

G

V

A

L

A

A

M

A

L

E

D

E

L

R

R

S

E

H

A

G

N

I

V

R

R

V

V

S

V

L

N

I

V

C

L

P

P

G

G

S

S

V

V

D

K

T

-

A

-

L

-

W

-

D

-

Q

-

P

-

S

-

V

-

G

-

A

-

N

-

F

-

D

-

R

-

Q

-

A

-

M

-

L

L

R

K

P

P

E

E

T

D

V

V

A

A

Q

Q

V

A

L

V

L

L

Q

F

V

A

A

L

T

E

L

M

P

P

E

G

T

H

A

A

V

M

V

V

D

S

E

E

L

I

T

E

L

L

M

R

P

P

active site: G135 (≠ A145), Y149 (= Y159), K153 (= K163)
binding cobalt (ii) ion: R36 (= R41), D37 (= D42)

6ixjA The crystal structure of sulfoacetaldehyde reductase from klebsiella oxytoca (see paper)
33% identity, 95% coverage: 9:240/245 of query aligns to 1:238/251 of 6ixjA

query
sites
6ixjA

S

S

P

K

F

V

V

V

L

F

I

I

T

T

G
|
G

A

A

S
x
T

S
|
S

G
|
G

I
x
F

G

G

A

E

A

A

T

A

A

A

H

Q

A

V

F

F

A

A

Q

D

A

A

G

G

W

W

S

S

L

L

L

V

L

L

L

S

G

G

R
|
R

D
x
R

R

F

G

E

R

R

L

L

Q

K

S

T

V

L

A

Q

E

D

S

K

A

L

R

A

S

S

Q

Q

G

-

A

-

A

V

A

P

V

V

A

H

T

I

Y

I

S

E

L

L

D
|
D

L
x
V

T

R

N

D

L

S

T

D

A

S

I

V

G

A

P

A

A

A

I

V

A

A

Q

A

L

L

V

P

E

A

Q

D

F

F

G

A

V

D

P

I

D

T

V

T

L

L

I

I

N

N

N
|
N

A
|
A

G
|
G

T

L

A

A

Q

L

T

S

-

P

G

Q

P

P

L

A

A

Q

T

K

L

V

S

D

L

L

S

D

D

D

L

W

E

K

C

T

I

M

F

I

A

D

L
x
T

N

N

V

V

H

T

S

G

P

L

L

V

L

N

V

V

V

T

Q

H

A

A

L

L

P

P

G

T

M

L

R

I

Q

N

R

H

Q

G

R

A

G

G

L

A

-

S

I

I

L

I

N

N

V
x
I

A

G

S
|
S

I

I

A

A

A

G

Q

Q

Q

W

A

P

F
x
Y

P

P

D

G

W

S

G

H

A

V

Y
|
Y

C

G

A

A

S

S

K
|
K

S

A

A

F

L

V

A

K

A

Q

W

F

S

S

R

Y

V

N

L

L

A

R

A

C

E

D

E

L

R

L

S

G

H

T

G

G

I

V

R

R

V

V

S

T

L

D

I

L

C

A

P
|
P

G
|
G

S

I

V
x
A

D

E

T
|
T

A
x
E

L
x
F

W

T

-

L

-

V

-

R

-

T

-

K

-

G

D

D

Q

Q

P

A

S

A

V

S

G

D

A

N

N

L

F

Y

D

R

R

G

Q

T

A

T

M

P

L

L

R

S

P

A

E

R

T

D

V

I

A

A

Q

E

V

Q

L

M

L

F

Q

Y

V

I

A

A

T

T

L

L

P

P

E

D

T

H

A

M

V

N

V

I

D

N

E

R

L

V

T

E

L

V

M

M

P

P

binding 2-hydroxyethylsulfonic acid: S138 (= S146), Y145 (≠ F153), Y151 (= Y159)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G16), T10 (≠ S18), S11 (= S19), G12 (= G20), F13 (≠ I21), R33 (= R41), R34 (≠ D42), D57 (= D67), V58 (≠ L68), N84 (= N94), A85 (= A95), G86 (= G96), T108 (≠ L117), I136 (≠ V144), S138 (= S146), Y151 (= Y159), K155 (= K163), P181 (= P189), G182 (= G190), A184 (≠ V192), T186 (= T194), E187 (≠ A195), F188 (≠ L196)

8cxaA Crystal structure of 3-oxoacyl-[acyl-carrier-protein] reductase from mycobacterium smegmatis with bound NAD
30% identity, 85% coverage: 7:214/245 of query aligns to 3:216/251 of 8cxaA

query
sites
8cxaA

L

L

P

A

S

N

P

R

F

V

V

A

L

I

I

I

T

T

G
|
G

A

A

S

A

S
x
Q

G
|
G

I
|
I

G

G

A

R

A

I

T

Y

A

A

H

E

A

R

F

F

A

A

Q

E

A

E

G

G

W

A

S

A

L

V

L

A

G
x
D

R

I

D

N

R

E

G

P

R

K

L

A

Q

T

S

E

V

V

A

A

E

S

S

S

A

I

R

T

S

S

Q

L

G

G

A

G

A

R

A

A

V

I

A

A

T

A

Y

-

S

A

L

V

D

D

L
x
V

T

S

N

D

L

V

T

E

A

S

I

V

G

N

P

R

A

M

I

V

A

D

Q

S

L

A

V

V

E

E

Q

A

F

F

G

G

V

T

P

V

D

D

V

I

L

L

I

V

N

N

N
|
N

A

A

G
x
A

-

I

-

F

-
x
S

T

T

A

L

Q

K

T

M

G

K

P

P

L

F

A

E

T

E

L

I

S

S

L

G

S

D

D

E

L

W

E

D

C

K

I

L

F

F

A

A

L

V

N

N

V

A

H

K

S

G

P

T

L

F

L

L

V

C

Q

Q

A

A

L

V

L

S

P

P

G

V

M

M

R

R

Q

K

R

N

Q

Q

R

Y

G

G

L

R

I

I

L

I

N

N

V
x
I

A
x
S

S
|
S

I

S

A

V

Q

V

Q

T

A

G

F

R

P

P

D

N

W

Y

G

A

A

H

Y
|
Y

C

I

A

A

S

S

K
|
K

S

G

A

A

L

V

A

W

A

A

W

L

S

T

R

H

V

A

L

L

A

A

A

T

E

E

E

M

R

G

S

T

H

D

G

G

I

I

R

T

V

V

S

N

L

T

I

V

C

S

P
|
P

G
x
H

S

G

V
x
I

D

I

T

T

A

E

L
x
I

-

P

-

R

-

E

-

T

W

I

D

S

Q

E

P

E

S

G

V

W

G

R

A

R

N

N

F

L

D

E

R

E

Q

Q

A

A

M

L

L

K

R

R

P

K

binding nicotinamide-adenine-dinucleotide: G12 (= G16), Q15 (≠ S19), G16 (= G20), I17 (= I21), D36 (≠ G40), V63 (≠ L68), N89 (= N94), A91 (≠ G96), S94 (vs. gap), I142 (≠ V144), S143 (≠ A145), S144 (= S146), Y157 (= Y159), K161 (= K163), P187 (= P189), H188 (≠ G190), I190 (≠ V192), I194 (≠ L196)

5itvA Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
30% identity, 90% coverage: 7:226/245 of query aligns to 5:235/255 of 5itvA

query
sites
5itvA

L

L

P

T

S

D

P

K

F

T

V

V

L

L

I

I

T

T

G
|
G

A

G

S

A

S
|
S

G
|
G

I
|
I

G

G

A

Y

A

A

T

A

A

V

H

Q

A

A

F

F

A

L

Q

G

A

Q

G

Q

W

A

S

N

L

V

L

A

G
x
D

R
x
I

D

D

R

E

G

A

R

Q

L

G

Q

E

S

A

V

M

A

V

E

R

S

K

A

E

R

N

S

N

Q

D

G

R

A

L

A

H

A

F

V

V

A

Q

T
|
T

Y

-

S

-

L

-

D

D

L
x
I

T

T

N

D

L

E

T

A

A

A

I

C

G

Q

P

H

A

A

I

V

A

E

Q

S

L

A

V

V

E

H

Q

T

F

F

G

G

V

G

P

L

D

D

V

V

L

L

I

I

N

N

N
|
N

A

A

G
|
G

T

I

A

E

Q

I

T

V

G

A

P

P

L

I

A

H

T

E

L

M

S

E

L

L

S

S

D

D

L

W

E

N

C

K

I

V

F

L

A

Q

L

V

N

N

V

L

H

T

S

G

P

M

L

F

L

L

V

M

V

S

Q

K

A

H

L

A

L

L

P

K

G

H

M

M

R

L

Q

A

R

A

Q

G

R

K

G

G

L

N

I

I

L

I

N

N

V
x
T

A

C

S
|
S

I

V

A

G

Q

L

Q

V

A

A

F

W

P

P

D

D

W

I

G

P

A

A

Y
|
Y

C

N

A

A

S

S

K
|
K

S

G

A

G

L

V

A

L

A

Q

W

L

S

T

R

K

V

S

L

M

A

A

A

V

E

D

E

Y

R

A

S

K

H

H

G

Q

I

I

R

R

V

V

S

N

L

C

I

V

C

C

P
|
P

G
|
G

S
x
I

V
x
I

D

D

T

T

A

P

L

L

W

N

D

E

Q

K

P

S

S

F

V

L

G

E

A

N

N

N

-

E

-

G

-

T

-

L

-

E

F

I

D

K

R

K

Q

E

A

K

-

A

-

K

-

V

-

N

-

P

M

L

L

L

R

R

-

L

-

G

-

K

P

P

E

E

T

E

V

I

A

A

Q

N

V

V

L

M

L

L

Q

F

V

L

A

A

T

S

active site: G18 (= G20), S141 (= S146), Y154 (= Y159), K158 (= K163)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G16), S17 (= S19), G18 (= G20), I19 (= I21), D38 (≠ G40), I39 (≠ R41), T61 (= T63), I63 (≠ L68), N89 (= N94), G91 (= G96), T139 (≠ V144), S141 (= S146), Y154 (= Y159), K158 (= K163), P184 (= P189), G185 (= G190), I186 (≠ S191), I187 (≠ V192)

5itvD Crystal structure of bacillus subtilis bacc dihydroanticapsin 7- dehydrogenase in complex with nadh (see paper)
32% identity, 81% coverage: 7:205/245 of query aligns to 5:200/227 of 5itvD

query
sites
5itvD

L

L

P

T

S

D

P

K

F

T

V

V

L

L

I

I

T

T

G
|
G

A

G

S

A

S
|
S

G
|
G

I
|
I

G

G

A

Y

A

A

T

A

A

V

H

Q

A

A

F

F

A

L

Q

G

A

Q

G

Q

W

A

S

N

L

V

L

A

G
x
D

R
x
I

D

D

R

E

G

A

R

Q

L

G

Q

E

S

A

V

M

A

V

E

R

S

K

A

E

R

N

S

N

Q

D

G

R

A

L

A

H

A

F

V

V

A

Q

T
|
T

Y

-

S

-

L

-

D
|
D

L
x
I

T

T

N

D

L

E

T

A

A

A

I

C

G

Q

P

H

A

A

I

V

A

E

Q

S

L

A

V

V

E

H

Q

T

F

F

G

G

V

G

P

L

D

D

V

V

L

L

I

I

N

N

N
|
N

A

A

G

G

T

I

A

E

Q

I

T

V

G

A

P

P

L

I

A

H

T

E

L

M

S

E

L

L

S

S

D

D

L

W

E

N

C

K

I

V

F

L

A

Q

L

V

N

N

V

L

H

T

S

G

P

M

L

F

L

L

V

M

V

S

Q

K

A

H

L

A

L

L

P

K

G

H

M

M

R

L

Q

A

R

A

Q

G

R

K

G

G

L

N

I

I

L

I

N

N

V
x
T

A

C

S
|
S

I

V

A

G

Q

L

Q

V

A

A

F

W

P

P

D

D

W

I

G

P

A

A

Y
|
Y

C

N

A

A

S

S

K
|
K

S

G

A

G

L

V

A

L

A

Q

W

L

S

T

R

K

V

S

L

M

A

A

A

V

E

D

E

Y

R

A

S

K

H

H

G

Q

I

I

R

R

V

V

S

N

L

C

I

V

C

C

P
|
P

G
|
G

S

I

V
x
I

D

D

T

T

A

L

L

R

W

L

D

G

Q

K

P

P

S

E

V

E

G

I

A

A

N

N

active site: G18 (= G20), S141 (= S146), Y154 (= Y159), K158 (= K163)
binding 1,4-dihydronicotinamide adenine dinucleotide: G14 (= G16), S17 (= S19), G18 (= G20), I19 (= I21), D38 (≠ G40), I39 (≠ R41), T61 (= T63), D62 (= D67), I63 (≠ L68), N89 (= N94), T139 (≠ V144), S141 (= S146), Y154 (= Y159), K158 (= K163), P184 (= P189), G185 (= G190), I187 (≠ V192)

3ai2A The crystal structure of l-sorbose reductase from gluconobacter frateurii complexed with NADPH (see paper)
34% identity, 76% coverage: 13:197/245 of query aligns to 11:195/263 of 3ai2A

query
sites
3ai2A

L

V

I

I

T

T

G
|
G

A

S

S
|
S

G
|
G

I
|
I

G

G

A

L

A

A

T

I

A

A

H

E

A

G

F

F

A

A

Q

K

A

E

G

G

W

A

S

H

L

I

L

V

L

L

L

V

G
x
A

R
|
R

D
x
Q

R

V

G

D

R

R

L

L

Q

H

S

E

V

A

A

A

E

R

S

S

A

L

R

K

S

E

Q

K

G

F

A

G

A

V

A

R

V

V

A

L

T

E

Y

V

S

A

L
x
V

D
|
D

L
x
V

T

A

N

T

L

P

T

E

A

G

I

V

G

D

P

A

A

V

I

V

A

E

Q

S

L

V

V

R

E

S

Q

S

F

F

G

G

V

G

P

A

D

D

V

I

L

L

I

V

N

N

N
|
N

A

A

G
|
G

T

T

A

G

Q

S

T

N

G

E

P

T

L

I

A

M

T

E

L

A

S

A

L

D

S

E

D

K

L

W

E

Q

C

F

I

Y

F

W

A

E

L

L

N

H

V

V

H

M

S

A

P

A

L

V

L

R

V

L

V

A

Q

R

A

G

L

L

L

V

P

P

G

G

M

M

R

R

Q

A

R

R

Q

G

R

G

G

G

L

A

I

I

L

I

N

H

V
x
N

A

A

S
|
S

I

I

A

C

A

A

Q

V

Q

Q

A

-

F

-

P

P

D

L

W

W

G

Y

A

E

-

P

-

I

Y
|
Y

C

N

A

V

S

T

K
|
K

S

A

A

A

L

L

A

M

W

F

S

S

R

K

V

T

L

L

A

A

A

T

E

E

E

V

R

I

S

K

H

D

G

N

I

I

R

R

V

V

S

N

L

C

I

I

C

N

P
|
P

G

G

S

L

V
x
I

D

L

T
|
T

A

P

L

D

W
|
W

active site: G18 (= G20), S144 (= S146), Y157 (= Y159), K161 (= K163)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G14 (= G16), S16 (= S18), S17 (= S19), G18 (= G20), I19 (= I21), A38 (≠ G40), R39 (= R41), Q40 (≠ D42), V64 (≠ L66), D65 (= D67), V66 (≠ L68), N92 (= N94), G94 (= G96), N142 (≠ V144), Y157 (= Y159), K161 (= K163), P187 (= P189), I190 (≠ V192), T192 (= T194), W195 (= W197)

Query Sequence

>Synpcc7942_1596 FitnessBrowser__SynE:Synpcc7942_1596
MAGMSFLPSPFVLITGASSGIGAATAHAFAQAGWSLLLLGRDRGRLQSVAESARSQGAAA
VATYSLDLTNLTAIGPAIAQLVEQFGVPDVLINNAGTAQTGPLATLSLSDLECIFALNVH
SPLLVVQALLPGMRQRQRGLILNVASIAAQQAFPDWGAYCASKSALAAWSRVLAAEERSH
GIRVSLICPGSVDTALWDQPSVGANFDRQAMLRPETVAQVLLQVATLPETAVVDELTLMP
NAGTF

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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