SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf1N1B4_3809 Oxidoreductase, short chain dehydrogenase/reductase family 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)

5wuwA Serratia marcescens short-chain dehydrogenase/reductase f98l/f202l mutant (see paper)
70% identity, 98% coverage: 6:248/248 of query aligns to 3:245/245 of 5wuwA

query
sites
5wuwA

L

L

S

Q

G

G

K

K

V

V

A

A

L

F

I

V

Q

Q

G
|
G

G

G

S

S

R
|
R

G
|
G

I
|
I

G

G

A

A

I

I

V

V

K

K

R

R

L

L

A

A

A

S

E

E

G

G

A

A

T

A

V

V

A

A

F

F

T

T

Y
|
Y

V
x
A

S
x
A

S

S

T

A

A

D

K

R

A

A

E

E

E

A

L

V

Q

A

N

S

S

A

I

V

T

T

S

T

A

A

G

G

N

K

A

V

L

L

A

A

I

I

K

K

A

A

D
|
D

S
|
S

A

A

D

D

A

A

V

A

A

A

I

L

R

Q

N

Q

A

A

V

V

K

R

V

Q

T

A

V

V

E

S

A

H

F

F

G

G

R

N

L

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

V

V

L

L

A

T

V

L

A

G

S

G

L

T

E

E

D

E

F

L

K

A

L

L

E

D

D

D

F

L

D

D

Q

R

T

M

L

L

A

A

I

V

N

N

V

V

R

R

S

S

V

V

F

F

I

V

A

A

T

S

Q

Q

E

E

A

A

K

R

H

H

M

M

T

N

E

D

G

G

R

R

I

I

V

I

N

H

I

I

G

G

S
|
S

T

T

N

N

A

A

E

E

R

R

M

V

P

P

F

F

A

G

G

G

G

A

P

V

Y
|
Y

A

A

M

M

S

S

K
|
K

S

S

A

A

L
|
L

V

V

G

G

L

L

T

T

K

K

G

G

L

M

A

A

R

R

D

D

L

L

G

G

P

P

R

R

G

S

I

I

T

T

I

V

N

N

V

V

Q

Q

P

P

G
|
G

P
|
P

V
|
V

D

D

T

T

D

E

M

M

N

N

P

P

A

D

S

A

G

G

D

E

F

L

A

A

E

D

S

Q

L

L

I

K

P

Q

L

L

M

M

A

A

V

I

G

G

R

R

Y

Y

G

G

R

K

V

D

E

E

I

I

A

A

S

G

F

F

V

V

A

A

Y

Y

L

L

V

A

G

G

P

P

E

Q

A

A

G

G

Y

Y

I

I

T

T

G

G

A

A

S

S

L

L

T

S

I

I

D

D

G

G

F

F

G

S

A

A

active site: G16 (= G19), S140 (= S143), Y154 (= Y157), L161 (= L164)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), R15 (= R18), I17 (= I20), Y36 (= Y39), A37 (≠ V40), A38 (≠ S41), D63 (= D66), S64 (= S67), N90 (= N93), A91 (= A94), G92 (= G95), Y154 (= Y157), K158 (= K161), G185 (= G188), P186 (= P189), V187 (= V190)

6j7uA Crystal structure of blue fluorescent protein from metagenomic library in complex with NADPH (see paper)
54% identity, 99% coverage: 4:248/248 of query aligns to 1:247/247 of 6j7uA

query
sites
6j7uA

Q

Q

H

N

L

L

S

N

G

G

K

K

V

V

A

A

L

F

I

V

Q

T

G
|
G

G

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

A

I

I

V

V

K

R

R

R

L

L

A

A

E

D

G

G

A

A

T

D

V

I

A

A

F

F

T

T

Y
|
Y

V
|
V

S
|
S

S

A

T

S

A
x
S

K

K

-

N

-

V

A

A

E

T

E

A

L

L

Q

V

N

Q

S

E

I

L

T

E

S

A

A

K

G

G

G

R

N

R

A

A

L

R

A

A

I

I

K

Q

A

A

D
|
D

S
|
S

A

A

D

D

A

P

V

A

A

Q

I

V

R

R

N

Q

A

A

V

V

K

E

V

Q

T

A

V

I

E

V

A

Q

F

L

G

G

R

P

L

V

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

V

I

L

F

A

L

V

A

A

G

S

P

L

L

E

G

D

E

F

V

K

T

L

L

E

D

D

D

F

Y

D

E

Q

R

T

T

L

M

A

N

I
|
I

N

N

V

V

R

R

S

A

V

P

F

F

I

V

A

A

T

I

Q

Q

E

A

A

A

A

Q

K

A

H

S

M

M

T

P

E

D

G

G

R

R

I

I

V

I

N

N

I

I

G
|
G

S
|
S

T

C

N

L

A

A

E

E

R

R

M

A

P

G

F

R

A

A

G

G

G

V

G

T

P

L

Y
|
Y

A

A

M

A

S

S

K
|
K

S

S

A

A

L

L

V

L

G

G

L

M

T

T

K

R

G

G

L

L

A

A

R

R

D

D

L

L

G

G

P

A

R

R

G

G

I

I

T

T

I

A

N

N

N

V

V

V

Q

H

P
|
P

G

G

P

P

V

I

D

D

T
|
T

D

D

M
|
M

N
|
N

P

P

A

A

S

D

G

G

D

E

F

R

A

S

E

G

S

E

L

L

I

V

P

A

L

V

M

L

A

S

V

L

G

P

R

H

Y

Y

G

G

R

E

V

V

E

R

E

D

I

I

A

A

S

G

F

M

V

V

A

A

Y

F

L

L

V

A

G

G

P

P

E

D

A

G

G

R

Y

Y

I

V

T

T

G

G

A

A

S

S

L

L

T

A

I

V

D

D

G

G

F

F

G

A

A

A

active site: G16 (= G19), S142 (= S143), Y156 (= Y157)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (= S17), R15 (= R18), I17 (= I20), Y36 (= Y39), V37 (= V40), S38 (= S41), S41 (≠ A44), D65 (= D66), S66 (= S67), N92 (= N93), A93 (= A94), G94 (= G95), I115 (= I116), G141 (= G142), S142 (= S143), Y156 (= Y157), K160 (= K161), P186 (= P187), T191 (= T192), M193 (= M194), N194 (= N195)

5u2wA Crystal structure of a short chain dehydrogenase from burkholderia cenocepacia j2315 in complex with NADP
57% identity, 99% coverage: 4:248/248 of query aligns to 2:246/246 of 5u2wA

query
sites
5u2wA

Q

N

H

R

L

L

S

Q

G

G

K

K

V

R

A

A

L

L

I

V

Q

T

G
|
G

G

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

A

I

I

V

A

K

K

R

R

L

L

A

A

E

D

G

G

A

A

T

D

V

V

A

A

F

I

T

T

Y
|
Y

V
x
E

S
x
K

S
|
S

T

A

A

E

K

R

A

A

E

Q

E

A

L

V

Q

V

N

A

S

G

I

I

T

E

S

A

A

L

G

G

G

R

N

R

A

A

L

I

A

A

I

I

K

Q

A
|
A

D
|
D

S
|
S

A

A

D

D

A

P

V

V

A

A

I

V

R

R

N

N

A

A

V

V

K

D

V

R

T

V

V

A

E

E

A

A

F

F

G

G

R

G

L

L

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G
|
G

V

I

L

F

A

R

V

A

A

G

S

S

L

L

E

D

D

D

F

L

K

T

L

L

E

D

D

D

F

I

D

D

Q

A

T

T

L

L

A

N

I

V

N

N

V

V

R

R

S

A

V

V

F

I

I

V

A

A

T

S

Q

Q

E

A

A

A

K

R

H

H

M

L

T

G

E

E

G

G

R

R

I

I

V

V

N

S

I
x
T

G

G

S
|
S

T

C

N

L

A

A

E

T

R

R

M

V

P

P

F

D

A

A

G

G

G
x
M

G

S

P

L

Y
|
Y

A

A

M

A

S

S

K
|
K

S

A

A

A

L

L

V

I

G

G

L

W

T

T

K

Q

G

G

L

L

A

A

R

R

D

D

L

L

G

G

P

P

R

R

G

G

I

I

T

T

I

V

N

N

N

I

V

V

Q

H

P
|
P

G
|
G

P

S

V
x
T

D

D

T
|
T

D

D

M
|
M

N
|
N

P

P

A

A

S

D

G

G

D

A

F

H

A

A

E

D

S

A

L

Q

I

R

P

S

L

R

M

M

A

A

V

I

G

Q

R

Q

Y

Y

G

G

R

K

V

A

E

D

I

V

A

A

S

A

F

L

V

V

A

A

Y

F

L

V

V

V

G

G

P

P

E

E

A

G

G

R

Y

S

I

I

T

N

G

G

A

T

S

G

L

L

T

T

I

I

D

D

G

G

F

A

G

N

A

A

active site: G17 (= G19), S141 (= S143), M152 (≠ G154), Y155 (= Y157), K159 (= K161)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G13 (= G15), S15 (= S17), R16 (= R18), G17 (= G19), I18 (= I20), Y37 (= Y39), E38 (≠ V40), K39 (≠ S41), S40 (= S42), A63 (= A65), D64 (= D66), S65 (= S67), N91 (= N93), A92 (= A94), G93 (= G95), T139 (≠ I141), Y155 (= Y157), K159 (= K161), P185 (= P187), G186 (= G188), T188 (≠ V190), T190 (= T192), M192 (= M194), N193 (= N195)

P39333 Cyclic-di-GMP-binding biofilm dispersal mediator protein from Escherichia coli (strain K12) (see paper)
52% identity, 98% coverage: 6:248/248 of query aligns to 4:237/237 of P39333

query
sites
P39333

L

F

S

T

G

G

K

K

V

T

A

V

L

L

I

I

Q

L

G

G

S

S

R

R

G

G

I

I

G

G

A

A

I

I

V

V

K

R

R

R

L

F

A

V

A

T

E

D

G

G

A

A

T

N

V

V

A

R

F

F

T

T

Y

Y

V

A

S

G

S

S

T

K

A

D

K

A

A

A

E

K

E

R

L

L

Q

A

N

Q

S
x
E

I

T

T

-

S

-

A

-

G

-

N

G

A

A

L

T

A

A

I

V

K

F

A

T

D

D

S

S

A

A

D

D

A

-

V

-

A

-

I

-

R

R

N

D

A

A

V

V

K

I

V

D

T

V

V

V

E

R

A

K

F

S

G

G

R

A

L

L

D

D

I

I

L

L

V

V

N

V

N

N

A

A

G

G

V

I

L

G

A

V

V

F

A

G

S

E

L

A

E

L

D

E

F

L

K

N

L

A

E

D

D

D

F

I

D

D

Q

R

T

L

L

F

A

K

I

I

N

N

V

I

R

H

S

A

V

P

F

Y

I

H

A

A

T

S

Q

V

E

E

A

A

K

R

H

Q

M

M

T

P

E

E

G

G

R

R

I

I

V

L

N

I

I

I

G

G

S

S

T

V

N

N

A

G

E

D

R

R

M

M

P

P

F

V

A

A

G

G

G

M

G

A

P

A

Y

Y

A

A

M

A

S

S

K

K

S

S

A

A

L

L

V

Q

G

G

L

M

T

A

K

R

G

G

L

L

A

A

R

R

D

D

L

F

G

G

P

P

R

R

G

G

I

I

T

T

I

I

N

N

N

V

V

V

Q

Q

P

P

G

G

P

P

V

I

D

D

T

T

D

D

M

A

N

N

P

P

A

A

S

N

G

G

D

P

F

M

A

R

E

D

S

M

L

L

I

H

P

S

L

L

M

M

A

A

V

I

G

K

R

R

Y

H

G

G

R

Q

V

P

E

E

I

V

A

A

S

G

F

M

V

V

A

A

Y

W

L

L

V

A

G

G

P

P

E

E

A

A

G

S

Y

F

I

V

T

T

G

G

A

A

S

M

L

H

T

T

I

I

D

D

G

G

G

A

F

F

G

G

A

A

E50 (≠ S52) mutation E->Q,V: Shows higher affinity for cyclic-di-GMP, increases swimming motility and biofilm dispersal. Biofilm formation is almost completely removed.

5z2lK Crystal structure of bdca in complex with NADPH (see paper)
52% identity, 98% coverage: 6:248/248 of query aligns to 3:236/244 of 5z2lK

query
sites
5z2lK

L

F

S

T

G

G

K

K

V

T

A

V

L

L

I

I

Q

L

G

G

S
|
S

R
|
R

G

G

I
|
I

G

G

A

A

I

I

V

V

K

R

R

R

L

F

A

V

A

T

E

D

G

G

A

A

T

N

V

V

A

R

F

F

T

T

Y
|
Y

V
x
A

S
x
G

S
|
S

T

K

A

D

K

A

A

A

E

K

E

R

L

L

Q

A

N

Q

S

E

I

T

T

-

S

-

A

-

G

-

N

G

A

A

L

T

A

A

I

V

K

F

A
x
T

D
|
D

S
|
S

A

A

D

D

A

-

V

-

A

-

I

-

R

R

N

D

A

A

V

V

K

I

V

D

T

V

V

V

E

R

A

K

F

S

G

G

R

A

L

L

D

D

I

I

L

L

V

V

N

V

N
|
N

A
|
A

G
|
G

V

I

L

G

A

V

V

F

A

G

S

E

L

A

E

L

D

E

F

L

K

N

L

A

E

D

D

D

F

I

D

D

Q

R

T

L

L

F

A

K

I

I

N

N

V

I

R

H

S

A

V

P

F

Y

I

H

A

A

T

S

Q

V

E

E

A

A

K

R

H

Q

M

M

T

P

E

E

G

G

R

R

I

I

V

L

N

I

I
|
I

G

G

S
|
S

T

V

N

N

A

G

E

D

R

R

M

M

P

P

F

V

A

A

G

G

G

M

G

A

P

A

Y
|
Y

A

A

M

A

S

S

K
|
K

S

S

A

A

L

L

V

Q

G

G

L

M

T

A

K

R

G

G

L

L

A

A

R

R

D

D

L

F

G

G

P

P

R

R

G

G

I

I

T

T

I

I

N

N

N

V

V

V

Q

Q

P
|
P

G

G

P

P

V
x
I

D

D

T
|
T

D

D

M
x
A

N
|
N

P

P

A

A

S

N

G

G

D

P

F

M

A

R

E

D

S

M

L

L

I

H

P

S

L

L

M

M

A

A

V

I

G

K

R

R

Y

H

G

G

R

Q

V

P

E

E

I

V

A

A

S

G

F

M

V

V

A

A

Y

W

L

L

V

A

G

G

P

P

E

E

A

A

G

S

Y

F

I

V

T

T

G

G

A

A

S

M

L

H

T

T

I

I

D

D

G

G

G

A

F

F

G

G

A

A

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: S14 (= S17), R15 (= R18), I17 (= I20), Y36 (= Y39), A37 (≠ V40), G38 (≠ S41), S39 (= S42), T57 (≠ A65), D58 (= D66), S59 (= S67), N81 (= N93), A82 (= A94), G83 (= G95), I129 (= I141), S131 (= S143), Y145 (= Y157), K149 (= K161), P175 (= P187), I178 (≠ V190), T180 (= T192), A182 (≠ M194), N183 (= N195)

7v0hG Crystal structure of putative glucose 1-dehydrogenase from burkholderia cenocepacia in complex with NADP and a potential reaction product
39% identity, 97% coverage: 6:246/248 of query aligns to 9:252/253 of 7v0hG

query
sites
7v0hG

L

L

S

A

G

G

K

K

V

V

A

A

L

I

I

V

Q

T

G
|
G

G

A

S
|
S

R
x
K

G
|
G

I
|
I

G

G

A

A

I

I

V

A

K

K

R

A

L

L

A

A

A

D

E

E

G

G

A

A

T

A

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
|
S

T

K

A

A

K

G

A

A

E

D

E

A

L

V

Q

V

N

S

S

A

I

I

T

T

S

E

A

A

G

G

N

R

A

A

L

V

A

A

I

V

K

G

A
x
G

D
|
D

S
x
V

A

S

D

K

A

A

V

A

A

D

I

A

R

Q

N

R

A

I

V

V

K

D

V

T

T

A

V

I

E

E

A

T

F

Y

G

G

R

R

L

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
x
S

G
|
G

V

V

L
x
Y

A

E

V

F

A

A

S

P

L

I

E

E

D

A

F

I

K

T

L

E

E

E

D

H

F

Y

D

R

Q

R

T

Q

L

F

A

D

I

T

N

N

V

V

R

F

S

G

V

V

F

L

I

L

A

T

T

T

Q

Q

E

A

A

A

A

V

K

K

H

H

M

L

T

G

E

E

G

G

G

A

R

S

I

I

V

I

N

N

I
|
I

G

S

S
|
S

T

V

N

V

A

T

E

S

R

I

M

T

P

P

F

P

A

A

G

-

G

S

G

A

P

V

Y
|
Y

A

S

M

G

S

T

K
|
K

S

G

A

A

L

V

V

D

G

A

L

I

T

T

K

G

G

V

L

L

A

A

R

L

D

E

L

L

G

G

P

P

R

R

G

K

I

I

T

R

I

V

N

N

N

A

V

I

Q

N

P
|
P

G
|
G

P
x
M

V
x
I

D

V

T
|
T

D

E

M
x
G

N
x
T

P

H

A

S

S

A

G

G

-
x
I

-

I

-

G

-

S

D

D

F

L

A

E

E

A

S

Q

L

V

I

L

P

G

L

Q

M

T

A

P

V

L

G

G

R

R

Y

L

G

G

R

E

V

P

E

N

E

D

I

I

A

A

S

S

F

V

V

A

A

V

Y

F

L

L

V

A

G

S

P

D

E

D

A

A

G

R

Y

W

I

M

T

T

G

G

A

E

S

H

L

L

T

V

I

V

D

S

G

G

F

L

binding nadp nicotinamide-adenine-dinucleotide phosphate: G18 (= G15), S20 (= S17), K21 (≠ R18), G22 (= G19), I23 (= I20), A43 (≠ V40), S44 (= S41), S45 (= S42), G68 (≠ A65), D69 (= D66), V70 (≠ S67), N96 (= N93), S97 (≠ A94), G98 (= G95), Y100 (≠ L97), I144 (= I141), S146 (= S143), Y159 (= Y157), K163 (= K161), P189 (= P187), G190 (= G188), M191 (≠ P189), I192 (≠ V190), T194 (= T192), G196 (≠ M194), T197 (≠ N195)
binding (2R)-2-(hydroxymethyl)pentanedioic acid: S146 (= S143), Y159 (= Y157), M191 (≠ P189), I202 (vs. gap)

4jroC Crystal structure of 3-oxoacyl-[acyl-carrier protein]reductase (fabg) from listeria monocytogenes in complex with NADP+
39% identity, 97% coverage: 6:246/248 of query aligns to 3:245/247 of 4jroC

query
sites
4jroC

L

L

S

Q

G

G

K

K

V

V

A

A

L

V

I

V

Q

T

G
|
G

G

G

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

D

I

I

V

A

K

I

R

N

L

L

A

A

A

K

E

E

G

G

A

A

T

N

V

I

A

F

F

F

T
x
N

Y
|
Y

V
x
N

S
x
G

S
|
S

T

P

A

E

K

A

A

A

E

E

L

T

Q

A

N

K

S

L

I

V

T

A

S

E

A

H

G

G

G

V

N

E

A

V

L

E

A

A

I

M

K

K

A

A

D
x
N

S
x
V

A

A

D

I

A

A

V

E

A

D

I

V

R

D

N

A

A

F

V

F

K

K

V

Q

T

A

V

I

E

E

A

R

F

F

G

G

R

R

L

V

D

D

I

I

L

L

V

V

N

N

N
|
N

A
|
A

G

G

V
x
I

L

T

A

R

V

D

A

N

S

L

L

L

E

M

D

R

F

M

K

K

L

E

E

D

D

E

F

W

D

D

Q

D

T

V

L

I

A

N

I
|
I

N

N

V

L

R

K

S

G

V

T

F

F

I

L

A

C

T

T

Q

K

E

A

A

V

A

S

K

R

H

T

M

M

T

M

E

K

-

Q

-

R

G

A

G

G

R

K

I

I

V

I

N

N

I

M

G

A

S
|
S

T

V

N

-

A

V

E

G

R

L

M

I

P

G

F

N

A

A

G

G

G
x
Q

G

A

P

N

Y
|
Y

A

V

M

A

S

S

K
|
K

S

A

A

G

L

V

V

I

G

G

L

L

T

T

K

K

G

T

L

T

A

A

R

R

D

E

L

L

G

A

P

P

R

R

G

G

I

I

T

N

I

V

N

N

N

A

V

V

Q

A

P
|
P

G

G

P

F

V
x
I

D

T

T
|
T

D

D

M

M

-

T

N

D

P

K

A

L

S

D

G

E

D

K

F

T

A

K

E

E

S

A

L

M

I

L

P

A

L

Q

M

I

A

P

V

L

G

G

R

A

Y

Y

G

G

R

T

V

T

E

E

E

D

I

I

A

A

S

N

F

A

V

V

A

L

Y

F

L

L

V

A

G

S

P

D

E

A

A

S

G

K

Y

Y

I

I

T

T

G

G

A

Q

S

T

L

L

T

S

I

V

D

D

G

G

F

M

active site: G16 (= G19), S142 (= S143), Q152 (≠ G154), Y155 (= Y157), K159 (= K161)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (= S17), R15 (= R18), G16 (= G19), I17 (= I20), N35 (≠ T38), Y36 (= Y39), N37 (≠ V40), G38 (≠ S41), S39 (= S42), N63 (≠ D66), V64 (≠ S67), N90 (= N93), A91 (= A94), I93 (≠ V96), I113 (= I116), S142 (= S143), Y155 (= Y157), K159 (= K161), P185 (= P187), I188 (≠ V190), T190 (= T192)

P73574 3-oxoacyl-[acyl-carrier-protein] reductase; 3-ketoacyl-acyl carrier protein reductase; EC 1.1.1.100 from Synechocystis sp. (strain PCC 6803 / Kazusa) (see paper)
38% identity, 97% coverage: 6:246/248 of query aligns to 4:244/247 of P73574

query
sites
P73574

L

L

S

T

G

A

K

Q

V

V

A

A

L

L

I

V

Q

T

G

G

G
x
A

S

S

R

R

G

G

I

I

G

G

A

K

A

A

I

T

V

A

K

L

R

A

L

L

A

A

E

T

G

G

A

M

T

K

V

V

A

V

F

V

T

N

Y

Y

V

A

S

Q

S

S

T

S

A

T

K

A

A

A

E

D

E

A

L

V

Q

V

N

A

S

E

I

I

T

I

S

A

A

N

G

G

N

E

A

A

L

I

A

A

I

V

K

Q

A

A

D

N

S

V

A

A

D

N

A

A

V

D

A

E

I

V

R

D

N

Q

A

L

V

I

K

K

V

T

T

T

V

L

E

D

A

K

F

F

G

S

R

R

L

I

D

D

I

V

L

L

V

V

N

N

A

A

G

G

V

I

L

T

A

R

V

D

A

T

S

L

L

L

E

L

D

R

F

M

K

K

L

L

E

E

D

D

F

W

D

Q

Q

A

T

V

L

I

A

D

I

L

N

N

V

L

R

T

S

G

V

V

F

F

I

L

A

C

T

T

Q

K

E

A

A

V

A

S

K

K

H

L

M

M

-

L

-

K

T

Q

E

K

G

S

G

G

R

R

I

I

V

I

N

N

I

I

G

T

S

S

T

V

N

-

A

A

E

G

R

M

M

M

P

G

F

N

A
x
P

G

G

G

Q

G

A

P

N

Y

Y

A

S

M

A

S

A

K
|
K

S

A

A

G

L

V

V

I

G

G

L

F

T

T

K

K

G

T

L

V

A

A

R

K

D

E

L

L

G

A

P

S

R

R

G

G

I

V

T

T

I

V

N

N

N

A

V

V

Q

A

P

P

G

G

P
x
F

V

I

D

A

T

T

D

D

M

M

N

T

P

E

A

N

S

L

G
x
N

D

-

F

-

A

A

E

E

S

P

L

I

I

L

P

Q

L

F

M

I

A

P

V

L

G

A

R

R

Y

Y

G

G

R

Q

V

P

E

E

I

V

A

A

S

G

F

T

V

I

A

R

Y

F

L

L

-

A

V

T

G

D

P

P

E

A

A

A

G

A

Y

Y

I

I

T

T

G

G

A

Q

S

T

L

F

T

N

I

V

D

D

G

G

F

M

A14 (≠ G16) mutation to G: 4.2-fold increase in activity on acetoacetyl-CoA.
P151 (≠ A152) mutation to F: 2.7-fold increase in activity on acetoacetyl-CoA.; mutation to V: 5.7-fold increase in activity on acetoacetyl-CoA.
K160 (= K161) mutation to A: Almost no activity on acetoacetyl-CoA.
F188 (≠ P189) mutation to Y: 3.3-fold increase in activity on acetoacetyl-CoA.
N198 (≠ G199) mutation to R: 3.5-fold increase in activity on acetoacetyl-CoA.

3osuA Crystal structure of the 3-oxoacyl-acyl carrier protein reductase, fabg, from staphylococcus aureus
38% identity, 96% coverage: 9:246/248 of query aligns to 5:244/246 of 3osuA

query
sites
3osuA

K

K

V

S

A

A

L

L

I

V

Q

T

G

G

G

A

S

S

R

R

G
|
G

I

I

G

G

A

R

A

S

I

I

V

A

K

L

R

Q

L

L

A

A

A

E

E

E

G

G

A

Y

T

N

V

V

A

A

F

V

T

N

Y

Y

V

A

S

G

S

S

T

K

A

E

K

K

A

A

E

E

E

A

L

V

Q

V

N

E

S

E

I

I

T

K

S

A

A

K

G

G

G

V

N

D

A

S

L

F

A

A

I

I

K

Q

A

A

D

N

S

V

A

A

D

D

A

A

V

D

A

E

I

V

R

K

N

A

A

M

V

I

K

K

V

E

T

V

V

V

E

S

A

Q

F

F

G

G

R

S

L

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A

A

G

G

V

I

L

T

A

R

V

D

A

N

S

L

L

L

E

M

D

R

F

M

K

K

L

E

E

Q

D

E

F

W

D

D

Q

D

T

V

L

I

A

D

I

T

N

N

V

L

R

K

S

G

V

V

F

F

I

N

A

C

T

I

Q

Q

E

K

A

A

A

T

K

P

H

Q

M

M

-

L

-

R

T

Q

E

R

G

S

G

G

R

A

I

I

V

I

N

N

I

L

G

S

S
|
S

-

V

T

V

N

G

A

A

E

V

R

G

M

N

P

P

F

-

A

-

G

G

G
x
Q

G

A

P

N

Y
|
Y

A

V

M

A

S

T

K
|
K

S

A

A

G

L

V

V

I

G

G

L

L

T

T

K

K

G

S

L

A

A

A

R

R

D

E

L

L

G

A

P

S

R

R

G

G

I

I

T

T

I

V

N

N

N

A

V

V

Q

A

P

P

G

G

P

F

V

I

D

V

T

S

D

D

M

M

N

T

P

D

A

A

-

L

S

S

G

D

D

E

F

L

A

K

E

E

S

Q

L

M

I

L

P

T

L

Q

M

I

A

P

V

L

G

A

R

R

Y

F

G

G

R

Q

V

D

E

T

E

D

I

I

A

A

S

N

F

T

V

V

A

A

Y

F

L

L

V

A

G

S

P

D

E

K

A

A

G

K

Y

Y

I

I

T

T

G

G

A

Q

S

T

L

I

T

H

I

V

D

N

G

G

F

M

active site: G15 (= G19), S141 (= S143), Q151 (≠ G154), Y154 (= Y157), K158 (= K161)
binding magnesium ion: N89 (= N93), K158 (= K161)

3sj7A Structure of beta-ketoacetyl-coa reductase (fabg) from staphylococcus aureus complex with NADPH (see paper)
38% identity, 96% coverage: 9:246/248 of query aligns to 2:237/239 of 3sj7A

query
sites
3sj7A

K

K

V

S

A

A

L

L

I

V

Q

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

S

I

I

V

A

K

L

R

Q

L

L

A

A

A

E

E

E

G

G

A

Y

T

N

V

V

A

A

F

V

T
x
N

Y
|
Y

V
x
A

S
x
G

S
|
S

T

K

A

E

K

K

A

A

E

E

E

A

L

V

Q

V

N

E

S

E

I

I

T

K

S

A

A

K

G

G

G

V

N

D

A

S

L

F

A

A

I

I

K

Q

A
|
A

D
x
N

S
x
V

A

A

D

D

A

A

V

D

A

E

I

V

R

K

N

A

A

M

V

I

K

K

V

E

T

V

V

V

E

S

A

Q

F

F

G

G

R

S

L

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

V

I

L

T

A

R

V

D

A

N

S

L

L

L

E

M

D

R

F

M

K

K

L

E

E

Q

D

E

F

W

D

D

Q

D

T

V

L

I

A

D

I
x
T

N

N

V

L

R

K

S

G

V

V

F

F

I

N

A

C

T

I

Q

Q

E

K

A

A

A

T

K

P

H

Q

M

M

-

L

-

R

T

Q

E

R

G

S

G

G

R

A

I

I

V

I

N

N

I

L

G

S

S
|
S

-

V

T

V

N

G

A

A

E

V

R

G

M

N

P

P

F

-

A

-

G

G

G
x
Q

G

A

P

N

Y
|
Y

A

V

M

A

S

T

K
|
K

S

A

A

G

L

V

V

I

G

G

L

L

T

T

K

K

G

S

L

A

A

A

R

R

D

E

L

L

G

A

P

S

R

R

G

G

I

I

T

T

I

V

N

N

N

A

V

V

Q

A

P
|
P

G
|
G

P

F

V

I

D

V

T

S

D

D

M

M

N

-

P

-

A

-

S

T

G

D

D

E

F

L

A

K

E

E

S

Q

L

M

I

L

P

T

L

Q

M

I

A

P

V

L

G

A

R

R

Y

F

G

G

R

Q

V

D

E

T

E

D

I

I

A

A

S

N

F

T

V

V

A

A

Y

F

L

L

V

A

G

S

P

D

E

K

A

A

G

K

Y

Y

I

I

T

T

G

G

A

Q

S

T

L

I

T

H

I

V

D

N

G

G

F

M

active site: G12 (= G19), S138 (= S143), Q148 (≠ G154), Y151 (= Y157), K155 (= K161)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G8 (= G15), S10 (= S17), R11 (= R18), I13 (= I20), N31 (≠ T38), Y32 (= Y39), A33 (≠ V40), G34 (≠ S41), S35 (= S42), A58 (= A65), N59 (≠ D66), V60 (≠ S67), N86 (= N93), A87 (= A94), T109 (≠ I116), S138 (= S143), Y151 (= Y157), K155 (= K161), P181 (= P187), G182 (= G188)

4fj0D Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and 3,7-dihydroxy flavone (see paper)
36% identity, 97% coverage: 6:245/248 of query aligns to 7:259/261 of 4fj0D

query
sites
4fj0D

L

L

S

D

G

G

K

K

V

V

A

A

L

L

I

V

Q

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

I

V

V

A

K

V

R

H

L

L

A

G

A

R

E

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

T

T

A

K

K

D

A

A

E

E

E

K

L

V

Q

V

N

S

S

E

I

I

T

K

S

A

A

L

G

G

G

S

N

D

A

A

L

I

A

A

I

I

K

K

A

A

D

D

S
x
I

A

R

D

Q

A

V

V

P

A

E

I

I

R

V

N

K

A

L

V

F

K

D

V

Q

T

A

V

V

E

A

A

H

F

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

V

V

L

V

A

S

V

F

A

G

S

H

L

L

E

K

D

D

F

V

K

T

L

E

E

E

D

E

F

F

D

D

Q

R

T

V

L

F

A

S

I
x
L

N

N

V

T

R

R

S

G

V

Q

F

F

I

F

A

V

T

A

Q

R

E

E

A

A

A

Y

K

R

H

H

M

L

T

T

E

E

G

G

R

R

I

I

V

V

N

L

I
x
T

G

S

S
|
S

T
x
N

N

T

A

S

E

K

R

D

M

F

P

S

F

V

A

P

G

K

G
x
H

G

S

P

L

Y
|
Y

A

S

M

G

S

S

K
|
K

S

G

A

A

L

V

V

D

G

S

L

F

T

V

K

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

I

V

N

N

N

A

V

V

Q

A

P
|
P

G
|
G

P
x
G

V
x
T

D

V

T
|
T

D

D

M
|
M

-
x
F

N

H

P

E

A

V

S
|
S

G

H

D

H

F
x
Y

-

I

-

P

-

N

-

G

-

T

-

S

-

Y

-

T

A

A

E

E

S

Q

L

R

I

Q

P

Q

L

M

M
x
A

A

A

-

H

-

A

-

S

-

P

V

L

G

H

R

R

Y

N

G

G

R

W

V

P

E

Q

E

D

I

V

A

A

S

N

F

V

V

V

A

G

Y

F

L

L

V

V

G

S

P

K

E

E

A

G

G

E

Y

W

I

V

T

N

G

G

A

K

S

V

L

L

T

T

I

L

D

D

G

G

active site: G20 (= G19), S144 (= S143), N145 (≠ T144), H155 (≠ G154), Y158 (= Y157), K162 (= K161), Y203 (≠ F201)
binding 3,7-dihydroxy-2-phenyl-4H-chromen-4-one: S144 (= S143), N145 (≠ T144), G190 (≠ P189), F196 (vs. gap), S200 (= S198), Y203 (≠ F201), A219 (≠ M209)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G16 (= G15), R19 (= R18), G20 (= G19), I21 (= I20), A41 (≠ V40), N42 (≠ S41), S43 (= S42), I68 (≠ S67), N94 (= N93), S95 (≠ A94), G96 (= G95), L117 (≠ I116), T142 (≠ I141), Y158 (= Y157), K162 (= K161), P188 (= P187), G189 (= G188), G190 (≠ P189), T191 (≠ V190), T193 (= T192), M195 (= M194)

4dmmB 3-oxoacyl-[acyl-carrier-protein] reductase from synechococcus elongatus pcc 7942 in complex with NADP
42% identity, 97% coverage: 6:246/248 of query aligns to 3:237/240 of 4dmmB

query
sites
4dmmB

L

L

S

T

G

D

K

R

V

I

A

A

L

L

I

V

Q

T

G
|
G

G

A

S
|
S

R
|
R

G
|
G

I
|
I

G

G

A

R

A

A

I

I

V

A

K

L

R

E

L

L

A

A

E

A

G

G

A

A

T

K

V

V

A

A

F

V

T

N

Y

Y

V
x
A

S
|
S

T

A

A

G

K

A

A

A

E

D

E

E

L

V

Q

V

N

A

S

A

I

I

T

A

S

A

A

A

G

G

N

E

A

A

L

F

A

A

I

V

K

K

A
|
A

D
|
D

S
x
V

A

S

D

Q

A

E

V

S

A

E

I

V

R

E

N

A

A

L

V

F

K

A

V

A

T

V

V

I

E

E

A

R

F

W

G

G

R

R

L

L

D

D

I

V

L

L

V

V

N

N

N
|
N

A
|
A

G

G

V

I

L

T

A

R

V

D

A

T

S

L

L

L

E

L

D

R

F

M

K

K

L

R

E

D

D

D

F

W

D

Q

Q

S

T

V

L

L

A

D

I
x
L

N

N

V

L

R

G

S

G

V

V

F

F

I

L

A

C

T

S

Q

R

E

A

A

A

K

K

H

I

M

M

T

L

E

K

-

Q

-

R

G

S

G

G

R

R

I

I

V

I

N

N

I
|
I

G

A

S
|
S

T

V

N

V

A

G

E

E

R

-

M

M

P

G

F

N

A

P

G

G

G
x
Q

G

A

P

N

Y
|
Y

A

S

M

A

S

A

K
|
K

S

A

A

G

L

V

V

I

G

G

L

L

T

T

K

K

G

T

L

V

A

A

R

K

D

E

L

L

G

A

P

S

R

R

G

G

I

I

T

T

I

V

N

N

N

A

V

V

Q

A

P
|
P

G
|
G

P

F

V
x
I

D

A

T
|
T

D

D

M
|
M

N

T

P

-

A

-

S

-

G

-

D

-

F

-

A

-

E

-

S

S

L

L

I

L

P

E

L

V

M

I

A

P

V

L

G

G

R

R

Y

Y

G

G

R

E

V

A

E

A

E

E

I

V

A

A

S

G

F

V

V

V

A

R

Y

F

L

L

V

A

G

A

-

D

P

P

E

A

A

A

G

A

Y

Y

I

I

T

T

G

G

A

Q

S

V

L

I

T

N

I

I

D

D

G

G

F

L

active site: G16 (= G19), S142 (= S143), Q152 (≠ G154), Y155 (= Y157), K159 (= K161)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G12 (= G15), S14 (= S17), R15 (= R18), G16 (= G19), I17 (= I20), A37 (≠ V40), S38 (= S41), S39 (= S42), A62 (= A65), D63 (= D66), V64 (≠ S67), N90 (= N93), A91 (= A94), L113 (≠ I116), I140 (= I141), S142 (= S143), Y155 (= Y157), K159 (= K161), P185 (= P187), G186 (= G188), I188 (≠ V190), T190 (= T192), M192 (= M194)

4fj2B Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and biochanin a (see paper)
36% identity, 97% coverage: 6:245/248 of query aligns to 6:258/260 of 4fj2B

query
sites
4fj2B

L

L

S

D

G

G

K

K

V

V

A

A

L

L

I

V

Q

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

I

V

V

A

K

V

R

H

L

L

A

G

A

R

E

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

T

T

A

K

K

D

A

A

E

E

E

K

L

V

Q

V

N

S

S

E

I

I

T

K

S

A

A

L

G

G

G

S

N

D

A

A

L

I

A

A

I

I

K

K

A

A

D

D

S
x
I

A

R

D

Q

A

V

V

P

A

E

I

I

R

V

N

K

A

L

V

F

K

D

V

Q

T

A

V

V

E

A

A

H

F

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

V

V

L

V

A

S

V

F

A

G

S

H

L

L

E

K

D

D

F

V

K

T

L

E

E

E

D

E

F

F

D

D

Q

R

T

V

L

F

A

S

I
x
L

N

N

V

T

R

R

S

G

V

Q

F

F

I

F

A

V

T

A

Q

R

E

E

A

A

A

Y

K

R

H

H

M

L

T

T

E

E

G

G

R

R

I

I

V

V

N

L

I
x
T

G

S

S
|
S

T
x
N

N

T

A

S

E

K

R

D

M

F

P

S

F

V

A

P

G

K

G
x
H

G

S

P

L

Y
|
Y

A

S

M

G

S

S

K
|
K

S

G

A

A

L

V

V

D

G

S

L

F

T

V

K

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

I

V

N

N

N

A

V

V

Q

A

P

P

G
|
G

P
x
G

V
x
T

D

V

T
|
T

D

D

M
|
M

-
x
F

N

H

P

E

A
x
V

S
|
S

G

H

D

H

F
x
Y

-
x
I

-

P

-

N

-

G

-

T

-

S

-

Y

-

T

A

A

E

E

S

Q

L

R

I

Q

P

Q

L
x
M

M
x
A

A

A

-

H

-

A

-

S

-

P

V

L

G

H

R

R

Y

N

G

G

R

W

V

P

E

Q

E

D

I

V

A

A

S

N

F

V

V

V

A

G

Y

F

L

L

V

V

G

S

P

K

E

E

A

G

G

E

Y

W

I

V

T

N

G

G

A

K

S

V

L

L

T

T

I

L

D

D

G

G

active site: G19 (= G19), S143 (= S143), N144 (≠ T144), H154 (≠ G154), Y157 (= Y157), K161 (= K161), Y202 (≠ F201)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G15), R18 (= R18), G19 (= G19), I20 (= I20), A40 (≠ V40), N41 (≠ S41), S42 (= S42), I67 (≠ S67), N93 (= N93), S94 (≠ A94), G95 (= G95), L116 (≠ I116), T141 (≠ I141), Y157 (= Y157), K161 (= K161), G188 (= G188), G189 (≠ P189), T190 (≠ V190), T192 (= T192), M194 (= M194)
binding 5,7-dihydroxy-3-(4-methoxyphenyl)-4H-chromen-4-one: G189 (≠ P189), F195 (vs. gap), V198 (≠ A197), S199 (= S198), Y202 (≠ F201), I203 (vs. gap), M217 (≠ L208), A218 (≠ M209)

4fj1B Crystal structure of the ternary complex between a fungal 17beta- hydroxysteroid dehydrogenase (holo form) and genistein (see paper)
36% identity, 97% coverage: 6:245/248 of query aligns to 5:257/259 of 4fj1B

query
sites
4fj1B

L

L

S

D

G

G

K

K

V

V

A

A

L

L

I

V

Q

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

I

V

V

A

K

V

R

H

L

L

A

G

A

R

E

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

T

T

A

K

K

D

A

A

E

E

E

K

L

V

Q

V

N

S

S

E

I

I

T

K

S

A

A

L

G

G

G

S

N

D

A

A

L

I

A

A

I

I

K

K

A

A

D

D

S
x
I

A

R

D

Q

A

V

V

P

A

E

I

I

R

V

N

K

A

L

V

F

K

D

V

Q

T

A

V

V

E

A

A

H

F

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

V

V

L

V

A

S

V

F

A

G

S

H

L

L

E

K

D

D

F

V

K

T

L

E

E

E

D

E

F

F

D

D

Q

R

T

V

L

F

A

S

I
x
L

N

N

V

T

R

R

S

G

V

Q

F

F

I

F

A

V

T

A

Q

R

E

E

A

A

A

Y

K

R

H

H

M

L

T

T

E

E

G

G

R

R

I

I

V

V

N

L

I
x
T

G

S

S
|
S

T
x
N

N

T

A

S

E

K

R

D

M

F

P

S

F

V

A

P

G

K

G
x
H

G

S

P

L

Y
|
Y

A

S

M

G

S

S

K
|
K

S

G

A

A

L

V

V

D

G

S

L

F

T

V

K

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

I

V

N

N

N

A

V

V

Q

A

P

P

G
|
G

P
x
G

V
x
T

D

V

T
|
T

D

D

M
|
M

-
x
F

N

H

P

E

A

V

S
|
S

G

H

D

H

F
x
Y

-
x
I

-

P

-

N

-

G

-

T

-

S

-

Y

-

T

A

A

E

E

S

Q

L

R

I

Q

P

Q

L
x
M

M
x
A

A

A

-

H

-

A

-

S

-

P

V

L

G

H

R

R

Y

N

G

G

R

W

V

P

E

Q

E

D

I

V

A

A

S

N

F

V

V

V

A

G

Y

F

L

L

V

V

G

S

P

K

E

E

A

G

G

E

Y

W

I

V

T

N

G

G

A

K

S

V

L

L

T

T

I

L

D

D

G

G

active site: G18 (= G19), S142 (= S143), N143 (≠ T144), H153 (≠ G154), Y156 (= Y157), K160 (= K161), Y201 (≠ F201)
binding genistein: G188 (≠ P189), F194 (vs. gap), S198 (= S198), Y201 (≠ F201), I202 (vs. gap), M216 (≠ L208), A217 (≠ M209)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G14 (= G15), R17 (= R18), G18 (= G19), I19 (= I20), A39 (≠ V40), N40 (≠ S41), S41 (= S42), I66 (≠ S67), N92 (= N93), S93 (≠ A94), G94 (= G95), L115 (≠ I116), T140 (≠ I141), S142 (= S143), Y156 (= Y157), K160 (= K161), G187 (= G188), T189 (≠ V190), T191 (= T192), M193 (= M194)

3qwiA Crystal structure of a 17beta-hydroxysteroid dehydrogenase (holo form) from fungus cochliobolus lunatus in complex with NADPH and coumestrol (see paper)
36% identity, 97% coverage: 6:245/248 of query aligns to 6:258/260 of 3qwiA

query
sites
3qwiA

L

L

S

D

G

G

K

K

V

V

A

A

L

L

I

V

Q

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

I

V

V

A

K

V

R

H

L

L

A

G

A

R

E

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

T

T

A

K

K

D

A

A

E

E

E

K

L

V

Q

V

N

S

S

E

I

I

T

K

S

A

A

L

G

G

G

S

N

D

A

A

L

I

A

A

I

I

K

K

A

A

D

D

S
x
I

A

R

D

Q

A

V

V

P

A

E

I

I

R

V

N

K

A

L

V

F

K

D

V

Q

T

A

V

V

E

A

A

H

F

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

V

V

L

V

A

S

V

F

A

G

S

H

L

L

E

K

D

D

F

V

K

T

L

E

E

E

D

E

F

F

D

D

Q

R

T

V

L

F

A

S

I
x
L

N

N

V

T

R

R

S

G

V

Q

F

F

I

F

A

V

T

A

Q

R

E

E

A

A

A

Y

K

R

H

H

M

L

T

T

E

E

G

G

R

R

I

I

V

V

N

L

I
x
T

G

S

S
|
S

T
x
N

N

T

A

S

E

K

R

D

M
x
F

P

S

F

V

A

P

G

K

G
x
H

G

S

P

L

Y
|
Y

A

S

M

G

S

S

K
|
K

S

G

A

A

L

V

V

D

G

S

L

F

T

V

K

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

I

V

N

N

N

A

V

V

Q

A

P
|
P

G
|
G

P
x
G

V
x
T

D

V

T
|
T

D

D

M
|
M

-

F

N

H

P

E

A

V

S

S

G

H

D

H

F
x
Y

-
x
I

-

P

-

N

-

G

-

T

-

S

-

Y

-

T

A

A

E

E

S

Q

L

R

I

Q

P

Q

L

M

M
x
A

A

A

-

H

-

A

-

S

-

P

V

L

G

H

R

R

Y

N

G

G

R

W

V

P

E

Q

E

D

I

V

A

A

S

N

F

V

V

V

A

G

Y

F

L

L

V

V

G

S

P

K

E

E

A

G

G

E

Y

W

I

V

T

N

G

G

A

K

S

V

L

L

T

T

I

L

D

D

G

G

active site: G19 (= G19), S143 (= S143), N144 (≠ T144), H154 (≠ G154), Y157 (= Y157), K161 (= K161), Y202 (≠ F201)
binding Coumestrol: F149 (≠ M149), G189 (≠ P189), M194 (= M194), Y202 (≠ F201), I203 (vs. gap), A218 (≠ M209)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G15), R18 (= R18), I20 (= I20), A40 (≠ V40), N41 (≠ S41), S42 (= S42), I67 (≠ S67), N93 (= N93), S94 (≠ A94), G95 (= G95), L116 (≠ I116), T141 (≠ I141), Y157 (= Y157), K161 (= K161), P187 (= P187), G188 (= G188), G189 (≠ P189), T190 (≠ V190), T192 (= T192), M194 (= M194)

3qwhA Crystal structure of the 17beta-hydroxysteroid dehydrogenase from cochliobolus lunatus in complex with NADPH and kaempferol (see paper)
36% identity, 97% coverage: 6:245/248 of query aligns to 6:258/260 of 3qwhA

query
sites
3qwhA

L

L

S

D

G

G

K

K

V

V

A

A

L

L

I

V

Q

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

I

V

V

A

K

V

R

H

L

L

A

G

A

R

E

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

T

T

A

K

K

D

A

A

E

E

E

K

L

V

Q

V

N

S

S

E

I

I

T

K

S

A

A

L

G

G

G

S

N

D

A

A

L

I

A

A

I

I

K

K

A

A

D
|
D

S
x
I

A

R

D

Q

A

V

V

P

A

E

I

I

R

V

N

K

A

L

V

F

K

D

V

Q

T

A

V

V

E

A

A

H

F

F

G

G

R

H

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G
|
G

V

V

L

V

A

S

V

F

A

G

S

H

L

L

E

K

D

D

F

V

K

T

L

E

E

E

D

E

F

F

D

D

Q

R

T

V

L

F

A

S

I
x
L

N

N

V

T

R

R

S

G

V

Q

F

F

I

F

A

V

T

A

Q

R

E

E

A

A

A

Y

K

R

H

H

M

L

T

T

E

E

G

G

R

R

I

I

V

V

N

L

I
x
T

G

S

S
|
S

T
x
N

N

T

A

S

E

K

R

D

M
x
F

P

S

F

V

A

P

G

K

G
x
H

G

S

P

L

Y
|
Y

A

S

M

G

S

S

K
|
K

S

G

A

A

L

V

V

D

G

S

L

F

T

V

K

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

I

V

N

N

N

A

V

V

Q

A

P
|
P

G
|
G

P
x
G

V
x
T

D

V

T
|
T

D

D

M
|
M

-
x
F

N

H

P

E

A

V

S
|
S

G

H

D

H

F
x
Y

-
x
I

-

P

-

N

-

G

-

T

-

S

-

Y

-

T

A

A

E

E

S

Q

L

R

I

Q

P

Q

L

M

M
x
A

A

A

-

H

-

A

-

S

-

P

V

L

G

H

R

R

Y

N

G

G

R

W

V

P

E

Q

E

D

I

V

A

A

S

N

F

V

V

V

A

G

Y

F

L

L

V

V

G

S

P

K

E

E

A

G

G

E

Y

W

I

V

T

N

G

G

A

K

S

V

L

L

T

T

I

L

D

D

G

G

active site: G19 (= G19), S143 (= S143), N144 (≠ T144), H154 (≠ G154), Y157 (= Y157), K161 (= K161), Y202 (≠ F201)
binding 3,5,7-trihydroxy-2-(4-hydroxyphenyl)-4h-chromen-4-one: N144 (≠ T144), F149 (≠ M149), G189 (≠ P189), F195 (vs. gap), S199 (= S198), Y202 (≠ F201), I203 (vs. gap), A218 (≠ M209)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G15), R18 (= R18), G19 (= G19), I20 (= I20), A40 (≠ V40), N41 (≠ S41), S42 (= S42), D66 (= D66), I67 (≠ S67), N93 (= N93), S94 (≠ A94), G95 (= G95), L116 (≠ I116), T141 (≠ I141), Y157 (= Y157), K161 (= K161), P187 (= P187), G188 (= G188), G189 (≠ P189), T190 (≠ V190), T192 (= T192), M194 (= M194)

1g6kA Crystal structure of glucose dehydrogenase mutant e96a complexed with NAD+
34% identity, 98% coverage: 4:246/248 of query aligns to 3:250/261 of 1g6kA

query
sites
1g6kA

Q

K

H

D

L

L

S

E

G

G

K

K

V

V

A

V

L

V

I

I

Q

T

G

G

G

S

S

S

R
x
T

G
|
G

I
x
L

G

G

A

K

A

S

I

M

V

A

K

I

R

R

L

F

A

A

A

T

E

E

G

K

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
R

S

S

S

K

T

E

A

D

K

E

A

A

E

N

E

S

L

V

Q

L

N

E

S

E

I

I

T

K

S

K

A

V

G

G

N

E

A

A

L

I

A

A

I

V

K

K

A

G

D
|
D

S
x
V

A

T

D

V

A

E

V

S

A

D

I

V

R

I

N

N

A

L

V

V

K

Q

V

S

T

A

V

I

E

K

A

E

F

F

G

G

R

K

L

L

D

D

I

V

L

M

V

I

N

N

N
|
N

A
|
A

G
|
G

V

L

L

A

A

N

V

P

A

V

S

S

L

S

E

H

D

E

F

M

K

S

L

L

E

S

D

D

F

W

D

N

Q

K

T

V

L

I

A

D

I

T

N

N

V

L

R

T

S

G

V

A

F

F

I

L

A

G

T

S

Q

R

E

E

A

A

A

I

K

K

H

Y

M

F

T

V

E

E

G

N

-

D

-

I

-

K

G

G

R

T

I

V

V

I

N

N

I
x
M

G

S

S
|
S

T

V

N

H

A

-

E

E

R

K

M

I

P

P

F

W

A

P

G

L

G

F

G

V

P

H

Y
|
Y

A

A

M

A

S

S

K
|
K

S

G

A

G

L

M

V

K

G

L

L

M

T

T

K

E

G

T

L

L

A

A

R

L

D

E

L

Y

G

A

P

P

R

K

G

G

I

I

T

R

I

V

N

N

V

I

Q

G

P
|
P

G
|
G

P

A

V
x
I

D

N

T
|
T

D

P

M

I

N

N

-

A

-

E

-

K

-

F

-

A

-

D

P

P

A

E

S

Q

G

R

D

A

F

D

A

V

E

E

S

S

L

M

I

I

P

P

L

M

M

-

A

-

V

-

G

G

R

Y

Y

I

G

G

R

E

V

P

E

E

I

I

A

A

S

A

F

V

V

A

A

A

Y

W

L

L

V

A

G

S

P

S

E

E

A

A

G

S

Y

Y

I

V

T

T

G

G

A

I

S

T

L

L

T

F

I

A

D

D

G

G

F

M

active site: G18 (= G19), S145 (= S143), Y158 (= Y157), K162 (= K161)
binding nicotinamide-adenine-dinucleotide: T17 (≠ R18), G18 (= G19), L19 (≠ I20), R39 (≠ V40), D65 (= D66), V66 (≠ S67), N92 (= N93), A93 (= A94), G94 (= G95), M143 (≠ I141), S145 (= S143), Y158 (= Y157), P188 (= P187), G189 (= G188), I191 (≠ V190), T193 (= T192)

P40288 Glucose 1-dehydrogenase; EC 1.1.1.47 from Priestia megaterium (Bacillus megaterium) (see 2 papers)
34% identity, 98% coverage: 4:246/248 of query aligns to 3:250/261 of P40288

query
sites
P40288

Q

K

H

D

L

L

S

E

G

G

K

K

V

V

A

V

L
x
V

I
|
I

Q
x
T

G
|
G

G
x
S

S
|
S

R
x
T

G
|
G

I
x
L

G
|
G

A
x
K

A
x
S

I
x
M

V
x
A

K
x
I

R
|
R

L
x
F

A
|
A

A
x
T

E
|
E

G
x
K

A
|
A

T
x
K

V
|
V

A
x
V

F

V

T

N

Y

Y

V

R

S

S

S

K

T

E

A

D

K

E

A

A

E

N

E

S

L

V

Q

L

N

E

S

E

I

I

T

K

S

K

A

V

G

G

N

E

A

A

L

I

A

A

I

V

K

K

A

G

D

D

S

V

A

T

D

V

A

E

V

S

A

D

I

V

R

I

N

N

A

L

V

V

K

Q

V

S

T

A

V

I

E

K

A

E

F

F

G

G

R

K

L

L

D

D

I

V

L

M

V

I

N

N

A

A

G

G

V

L

L
x
E

A

N

V

P

A

V

S

S

L

S

E

H

D

E

F

M

K

S

L

L

E

S

D
|
D

F

W

D

N

Q

K

T
x
V

L

I

A

D

I

T

N

N

V

L

R

T

S

G

V

A

F

F

I

L

A

G

T

S

Q

R

E

E

A

A

A

I

K

K

H

Y

M

F

T

V

E
|
E

G

N

-

D

-

I

-

K

G

G

R

T

I

V

V

I

N

N

I

M

G

S

S

S

T

V

N

H

A

-

E

E

R

K

M

I

P

P

F

W

A

P

G

L

G

F

G

V

P

H

Y

Y

A

A

M

A

S

S

K

K

S

G

A

G

L

M

V

K

G

L

L

M

T

T

K

E

G

T

L

L

A

A

R

L

D

E

L

Y

G

A

P

P

R

K

G

G

I

I

T

R

I
x
V

N

N

V

I

Q

G

P

P

G

G

P

A

V

I

D

N

T

T

D
x
P

M

I

N

N

-

A

-

E

-

K

-

F

-

A

-

D

P

P

A

E

S

Q

G

R

D

A

F

D

A

V

E
|
E

S

S

L

M

I

I

P

P

L

M

M

-

A

-

V

-

G

G

R
x
Y

Y

I

G

G

R

E

V

P

E

E

I

I

A

A

S

A

F

V

V

A

A

A

Y

W

L

L

V

A

G

S

P

S

E

E

A

A

G

S

Y

Y

I

V

T

T

G

G

A

I

S

T

L

L

T

F

I

A

D

D

G

G

F

M

11:35 (vs. 12:36, 40% identical) binding
E96 (≠ L97) mutation E->A,G,K: Heat stable.
D108 (= D109) mutation to N: Heat stable.
V112 (≠ T113) mutation to A: Heat stable.
E133 (= E134) mutation to K: Heat stable.
V183 (≠ I182) mutation to I: Heat stable.
P194 (≠ D193) mutation to Q: Heat stable.
E210 (= E203) mutation to K: Heat stable.
Y217 (≠ R213) 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.

7yb2D Crystal structure of anthrol reductase (cbar) in complex with NADP+ and emodin (see paper)
36% identity, 97% coverage: 6:245/248 of query aligns to 10:262/264 of 7yb2D

query
sites
7yb2D

L

L

S

D

G

G

K

K

V

V

A

A

L

L

I

V

Q

T

G
|
G

G

S

S

G

R
|
R

G
|
G

I
|
I

G

G

A

A

I

V

V

A

K

V

R

H

L

L

A

G

A

L

E

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y
|
Y

V
x
A

S
x
N

S
|
S

T

P

A

T

K

H

A

A

E

Q

E

K

L

V

Q

V

N

D

S

E

I

I

T

K

S

Q

A

L

G

G

G

S

N

D

A

A

L

I

A

A

I

I

K

K

A

A

D
|
D

S
x
V

A

R

D

Q

A

V

V

P

A

E

I

I

R

V

N

R

A

L

V

F

K

D

V

E

T

A

V

V

E

A

A

H

F

F

G

G

R

Q

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G

G

V

V

L

V

A

S

V

F

A

G

S

H

L

L

E

K

D

D

F

V

K

T

L

E

E

E

D

E

F

F

D

D

Q

R

T

V

L

F

A

S

I
x
L

N

N

V

T

R

R

S

G

V

Q

F

F

I

F

A

V

T

A

Q

R

E

E

A

A

A

Y

K

K

H

H

M

L

T

N

E

N

G

G

R

R

I

I

V

I

N

M

I
x
T

G

S

S
|
S

T

N

N

T

A

S

E

R

R

D

M

F

P

S

F

V

A

P

G

K

G

H

G

S

P

L

Y
|
Y

A

S

M

G

S

S

K
|
K

S

G

A

A

L

I

V

D

G

S

L

F

T

V

K

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

I

V

N

N

N

A

V

V

Q

A

P
|
P

G
|
G

P
x
G

V
x
T

D

V

T
|
T

D

D

M
|
M

N

-

P

-

A

-

S
x
F

G

H

D

D

F
x
V

A
x
S

E

Q

S

H

L
x
Y

I

I

P

P

-

N

-

G

-

E

-

T

-

Y

-

T

-

P

-

E

-

R

-

Q

L

K

M

M

A

A

-

A

-

H

-

A

-

S

-

P

V

L

G

H

R

R

Y

N

G

G

R

F

V

P

E

E

E

D

I

I

A

A

S

R

F

V

V

V

A

G

Y

F

L

L

V

V

G

S

P

A

E

E

A

G

G

E

Y

W

I

I

T

N

G

G

A

K

S

V

L

L

T

T

I

V

D

D

G

G

binding 3-methyl-1,6,8-trihydroxyanthraquinone: S147 (= S143), Y161 (= Y157), G193 (≠ P189), M198 (= M194), F199 (≠ S198), V202 (≠ F201), S203 (≠ A202), Y206 (≠ L205)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G19 (= G15), R22 (= R18), G23 (= G19), I24 (= I20), Y43 (= Y39), A44 (≠ V40), N45 (≠ S41), S46 (= S42), D70 (= D66), V71 (≠ S67), N97 (= N93), S98 (≠ A94), L120 (≠ I116), T145 (≠ I141), S147 (= S143), Y161 (= Y157), K165 (= K161), P191 (= P187), G192 (= G188), T194 (≠ V190), T196 (= T192), M198 (= M194)

8hfkA Crystal structure of cbar mutant (h162f) in complex with NADP+ and halogenated aryl ketone (see paper)
37% identity, 97% coverage: 6:245/248 of query aligns to 6:257/259 of 8hfkA

query
sites
8hfkA

L

L

S

D

G

G

K

K

V

V

A

A

L

L

I

V

Q

T

G
|
G

G

S

S

G

R
|
R

G

G

I
|
I

G

G

A

A

I

V

V

A

K

V

R

H

L

L

A

G

A

L

E

L

G

G

A

A

T

K

V

V

A

V

F

V

T

N

Y

Y

V
x
A

S
x
N

S
|
S

T

P

A

T

K

H

A

A

E

Q

E

K

L

V

Q

V

N

D

S

E

I

I

T

K

S

Q

A

L

G

G

G

S

N

D

A

A

L

I

A

A

I

I

K

K

A

A

D
|
D

S

V

A

R

D

Q

A

V

V

P

A

E

I

I

R

V

N

R

A

L

V

F

K

D

V

E

T

A

V

V

E

A

A

H

F

F

G

G

R

Q

L

L

D

D

I

I

L

A

V

V

N

S

N
|
N

A
x
S

G

G

V

V

L

V

A

S

V

F

A

G

S

H

L

L

E

K

D

D

F

V

K

T

L

E

E

E

D

E

F

F

D

D

Q

R

T

V

L

F

A

S

I
x
L

N

N

V

T

R

R

S

G

V

Q

F

F

I

F

A

V

T

A

Q

R

E

E

A

A

A

Y

K

K

H

H

M

L

T

N

E

N

G

G

R

R

I

I

V

I

N

-

I

M

G
x
T

S

S

T
x
S

N
|
N

A
x
T

E

S

R

R

M

D

P

S

F

V

A

P

G

K

G
x
F

G

S

P

L

Y
|
Y

A

S

M

G

S

S

K
|
K

S

G

A

A

L

I

V

D

G

S

L

F

T

V

K

R

G

I

L

F

A

S

R

K

D

D

L

C

G

G

P

D

R

K

G

K

I

I

T

T

I

V

N

N

N

A

V

V

Q

A

P
|
P

G
|
G

P
x
G

V
x
T

D

V

T
|
T

D

D

M
|
M

N

-

P

-

A

-

S

F

G

H

D

D

F
x
V

A

S

E

Q

S

H

L

Y

I

I

P

P

-

N

-

G

-

E

-

T

-

Y

-

T

-

P

-

E

-

R

-

Q

L

K

M

M

A

A

-

A

-

H

-

A

-

S

-

P

V

L

G

H

R

R

Y

N

G

G

R

F

V

P

E

E

E

D

I

I

A

A

S

R

F

V

V

V

A

G

Y

F

L

L

V

V

G

S

P

A

E

E

A

G

G

E

Y

W

I

I

T

N

G

G

A

K

S

V

L

L

T

T

I

V

D

D

G

G

binding 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone: S143 (≠ T144), N144 (= N145), T145 (≠ A146), F153 (≠ G154), Y156 (= Y157), G187 (= G188), M193 (= M194), V197 (≠ F201)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G15 (= G15), R18 (= R18), I20 (= I20), A40 (≠ V40), N41 (≠ S41), S42 (= S42), D66 (= D66), N93 (= N93), S94 (≠ A94), L116 (≠ I116), T141 (≠ G142), Y156 (= Y157), K160 (= K161), P186 (= P187), G187 (= G188), G188 (≠ P189), T189 (≠ V190), T191 (= T192), M193 (= M194)

Sites not aligning to the query:

binding 2-bromanyl-1-(4-bromanyl-2-oxidanyl-phenyl)ethanone: 259

Query Sequence

>Pf1N1B4_3809 Oxidoreductase, short chain dehydrogenase/reductase family
MTTQHLSGKVALIQGGSRGIGAAIVKRLAAEGATVAFTYVSSTAKAEELQNSITSAGGNA
LAIKADSADAVAIRNAVKVTVEAFGRLDILVNNAGVLAVASLEDFKLEDFDQTLAINVRS
VFIATQEAAKHMTEGGRIVNIGSTNAERMPFAGGGPYAMSKSALVGLTKGLARDLGPRGI
TINNVQPGPVDTDMNPASGDFAESLIPLMAVGRYGRVEEIASFVAYLVGPEAGYITGASL
TIDGGFGA

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