SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_054340851.1 NCBI__GCF_001305295.1:WP_054340851.1 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)

P0CH37 NADP-dependent alcohol dehydrogenase C 2; Ms-ADHC 2; EC 1.1.1.2 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
53% identity, 99% coverage: 3:348/349 of query aligns to 5:349/349 of P0CH37

query
sites
P0CH37

K

S

A

A

Y

Y

A

A

Q

T

T

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E

K

P

M

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D

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T

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N

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W

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Y

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-

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K210 (≠ S208) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

P0CH36 NADP-dependent alcohol dehydrogenase C 1; Ms-ADHC 1; EC 1.1.1.2 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
53% identity, 99% coverage: 3:348/349 of query aligns to 5:349/349 of P0CH36

query
sites
P0CH36

K

S

A

A

Y

Y

A

A

Q

T

T

S

A

A

T

T

S

E

K

P

M

L

A

T

P

K

L

T

N

T

I

I

Q

T

R

R

T

A

L

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R

G

P

P

D

H

D

D

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V

A

A

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F

D

D

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I

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H

Y

F

C

A

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G

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I

C

C

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H

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D

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I

H

H

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T

A

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E

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E

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W

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G

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N

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Y

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P

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V

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P

G

G

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E

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K

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G

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N

C

C

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K

A

A

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G

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L

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Q

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C

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T

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M

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K

I

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x
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K210 (≠ S208) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

P9WQC5 NADP-dependent alcohol dehydrogenase C; EC 1.1.1.2 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
52% identity, 98% coverage: 4:346/349 of query aligns to 6:346/346 of P9WQC5

query
sites
P9WQC5

A

A

Y

Y

A

A

Q

M

T

S

A

A

T

T

S

E

K

P

M

L

A

T

P

K

L

T

N

T

I

I

Q

T

R

R

T

D

L

P

R

G

P

P

D

H

D

D

V

V

A

A

I

I

D

D

I

I

L

K

Y

F

C

A

G

G

V

I

C

C

H

H

S

S

D

D

I

I

H

H

Q

T

A

V

E

K

N

A

D

E

W

W

G

G

N

Q

S

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I

N

Y

Y

P

P

V

V

P

P

G

G

H

H

E

E

I

I

I

A

G

G

R

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T

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A

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G

G

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C

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D

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C

C

H

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A

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E

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Q

Y

Y

C

C

E

K

N

P

G

G

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A

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N

G

F

T

T

Y

Y

N

N

-

S

-

I

G

G

K

K

D

-

Y

-

D

D

G

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T

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L

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T

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Q

G

G

Y

Y

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E

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H

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M

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G

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V

K

K

Y

L

A

G

K

A

A

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G

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A

E

D

V

V

T

T

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x
K

K

K

V

M

A

E

E

D

A

G

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G

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A

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C

L

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D

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D

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G

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D

A

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F

G

A

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A

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M

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-

K

-

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R

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L

L

A

A

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G

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I

I

G

G

I

I

A

A

E

E

T

T

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Q

E

E

M

M

L

L

N

N

F

F

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C

A

A

E

E

H

H

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G

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C

P

E

E

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I

E

E

M

L

L

I

D

E

I

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Q

D

N

Y

I

I

N

N

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D

A

A

Y

Y

E

E

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L

K

A

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A

L

L

K209 (≠ S208) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

1uufA Crystal structure of a zinc-type alcohol dehydrogenase-like protein yahk
52% identity, 99% coverage: 3:346/349 of query aligns to 2:338/339 of 1uufA

query
sites
1uufA

K

K

A

A

Y

V

A

G

A

A

Q

Y

T

S

A

A

T

K

S

Q

K

P

M

L

A

E

P

P

L

M

N

D

I

I

Q

T

R

R

T

E

L

P

R

G

P

P

D

N

D

D

V

V

A

K

I

I

D

E

I

I

L

A

Y

Y

C

C

G

G

V

V

C
|
C

H
|
H

S
|
S

D

D

I

L

H
|
H

Q

Q

A

V

E

R

N

S

D

E

W

W

G

A

N

G

S

T

I

V

Y

Y

P

P

V

C

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V

P

P

G

G

H
|
H

E
|
E

I

I

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G

G

R

R

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S

A

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K

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Y

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A

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G

D

D

I

L

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V

G

G

V

V

G

G

C

C

M

I

V

V

D

D

S

S

C
|
C

C

K

S

H

C
|
C

S

E

C
|
C

H

E

A

D

G

G

L

L

E

E

Q

N

Y

Y

C
|
C

E

D

N

H

G

-

M

M

V
x
T

G

G

T

T

Y

Y

N

N

G

S

K

P

D

T

Y

P

Y

D

D

E

G

P

T

G

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T

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L

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G

Y

Y

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Q

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E

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I

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D

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T

P

L

Q

D

E

-

Q

I

L

K

A

A

A

A

V

A

A

P

P

L

L

C
|
C

A

A

G

G

I

I

T
|
T

T

T

Y

Y

S

S

P

P

L

L

K

R

H

H

Y

W

G

Q

V

A

K

G

A

P

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G

D

K

K

K

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M

I

G

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L

G

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H

H

M

M

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G

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I

K

K

Y

L

A

A

K

H

A

A

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M

G

G

A

A

E

H

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V

V

A

F

F

T

T

R

T

S

S

Q

E

S

A

K

K

V

R

A

E

E

A

A

A

K

K

L

A

L

L

G

G

A

A

D

D

H

E

V

V

I

V

V

N

S

S

T

R

D

N

A

A

D

D

Q

E

M

M

A

A

A

H

T

L

L

K

T

S

F

F

N

D

F

F

L

I

L

L

D

N

T

T

I

V

P

A

V

A

A

P

H

H

D

N

F

L

N

D

P

D

Y

F

L

T

N

T

C

L

L

L

K

K

V

R

D

D

G

G

A

T

H

M

I

T

I

L

V

V

G

G

L

A

V

-

T

-

G

-

I

-

D

-

P

P

P

E

I

V

W

F

G

-

A

-

S

N

L

L

I

I

T

M

K

K

R

R

I

A

L

I

A

A

G

G

S

S

M

M

I

I

G

G

I

I

A

P

E

E

T

T

Q

Q

E

E

M

M

L

L

N

D

F

F

S

C

A

A

E

E

H

H

G

G

I

I

N

V

C

A

E

D

V

I

E

E

M

M

L

I

D

R

I

A

Q

D

N

Q

I

I

N

N

V

E

A

A

Y

Y

E

E

R

R

M

M

K

L

K

R

G

G

D

D

V

V

K

K

Y

Y

R
|
R

F

F

V

V

I

I

D

D

M

N

N

R

S

T

L

L

active site: C38 (= C39), H39 (= H40), S40 (= S41), H43 (= H44), H60 (= H61), E61 (= E62), C91 (= C92), C94 (= C95), C97 (= C98), C105 (= C106), T109 (≠ V111), C156 (= C157), T160 (= T161), R330 (= R338)
binding zinc ion: C38 (= C39), H60 (= H61), C91 (= C92), C94 (= C95), C97 (= C98), C105 (= C106), C156 (= C157)

Sites not aligning to the query:

binding zinc ion: 339

1yqdA Sinapyl alcohol dehydrogenase complexed with NADP+ (see paper)
49% identity, 97% coverage: 5:343/349 of query aligns to 13:350/359 of 1yqdA

query
sites
1yqdA

Y

W

A

A

Q

R

T

D

A

Q

T

S

S

G

K

H

M

L

A

S

P

P

L

F

N

N

I

F

Q

S

R

R

T

A

L

T

R

G

P

E

D

E

D

D

V

V

A

R

I

F

D

K

I

V

L

L

Y

Y

C

C

G

G

V

V

C
|
C

H
|
H

S
|
S

D

D

I

L

H
|
H

Q

S

A

I

E

K

N

N

D

D

W

W

G

G

N

F

S

S

I

M

Y

Y

P

P

V

L

V

V

P

P

G

G

H
|
H

E
|
E

I

I

I

V

G

G

R

E

V

V

T

T

S

E

I

V

G

G

P

S

N

K

V

V

T

K

Q

K

Y

V

K

N

V

V

G

G

D

D

I

K

V

V

G

G

V

V

G

G

C

C

M

L

V

V

D

G

S

A

C
|
C

C

H

S

S

C
|
C

S

E

S

S

C
|
C

H

A

A

N

G

D

L

L

E

E

Q

N

Y

Y

C
|
C

E

P

N

K

G

-

M

M

V
x
I

G

L

T

T

Y

Y

N

-

G

A

K

S

D

I

Y

Y

Y

H

D

D

G

G

T

T

L

I

T

T

S

Y

G

G

Y

Y

S

S

E

N

H

H

I

M

V

V

V

A

R

N

E

E

A

R

F

Y

V

I

L

I

S

R

I

F

P

P

D

D

T

N

L

M

D

P

I

L

K

D

A

G

A

A

P

P

L

L

C
|
C

A

A

G

G

I

I

T
|
T

T

V

Y

Y

S

S

P

P

L

L

K

K

H

Y

Y

F

G

G

V

L

-

D

K

E

A

P

G

G

D

K

K

H

V

I

G

G

I

I

L

V

G
|
G

M
x
L

G
|
G

L
|
L

G

G

H

H

M

V

G

A

V

V

K

K

Y

F

A

A

K

K

A

A

L

F

G

G

A

S

E

K

V

V

T

T

V

V

F

I

T
x
S

R
x
T

S
|
S

Q

P

S

S

K
|
K

V

K

A

E

E

E

A

A

-

L

K

K

L

N

L

F

G

G

A

A

D

D

H

S

V

F

I

L

V

V

S

S

T

R

D

D

A

Q

D

E

Q

Q

M

M

A

Q

A

A

T

A

L

G

T

T

F

L

N

D

F

G

L

I

D

D

T
|
T

I
x
V

P
x
S

V

A

A

V

H

H

D

P

F

L

N

L

P

P

Y

L

L

F

N

G

C

L

L

L

K

K

V

S

D

H

G

G

A

K

H

L

I

I

I

L

V
|
V

G
|
G

L
x
A

V

P

T

E

G

K

-

P

I

L

D

E

P

L

P

P

I

A

W

F

G

-

A

-

S

S

L

L

I

I

T

A

K

G

R

R

R

K

I

I

L

V

A

A

G

G

S

S

M
x
G

I
|
I

G

G

I

M

A

K

E

E

T

T

Q

Q

E

E

M

M

L

I

N

D

F

F

S

A

A

A

E

K

H

H

G

N

I

I

N

T

C

A

E

D

V

I

E

E

M

V

L

I

D

S

I

T

Q

D

N

Y

I

L

N

N

V

T

A

A

Y

M

E

E

R

R

M

L

K

A

K

K

G
x
N

D

D

V

V

K

R

Y

Y

R
|
R

F

F

V

V

I

I

D

D

M

V

active site: C47 (= C39), H48 (= H40), S49 (= S41), H52 (= H44), H69 (= H61), E70 (= E62), C100 (= C92), C103 (= C95), C106 (= C98), C114 (= C106), I118 (≠ V111), C163 (= C157), T167 (= T161), R345 (= R338)
binding nadp nicotinamide-adenine-dinucleotide phosphate: C47 (= C39), H48 (= H40), S49 (= S41), H52 (= H44), C163 (= C157), T167 (= T161), G188 (= G181), L189 (≠ M182), G190 (= G183), G191 (= G184), L192 (= L185), S211 (≠ T204), T212 (≠ R205), S213 (= S206), K216 (= K209), T251 (= T243), V252 (≠ I244), S253 (≠ P245), V274 (= V266), G275 (= G267), A276 (≠ L268), G299 (≠ M292), I300 (= I293), N340 (≠ G333), R345 (= R338)
binding zinc ion: C47 (= C39), H69 (= H61), C100 (= C92), C103 (= C95), C106 (= C98), C114 (= C106), C163 (= C157)

5z0cA Nerol dehydrogenase from persicaria minor (see paper)
48% identity, 97% coverage: 5:343/349 of query aligns to 10:347/367 of 5z0cA

query
sites
5z0cA

Y

W

A

A

Q

R

T

D

A

P

T

S

S

G

K

H

M

L

A

S

P

P

L

F

N

T

I

F

Q

S

R

R

T

A

L

T

R

G

P

E

D

L

D

D

V

V

A

T

I

F

D

K

I

V

L

L

Y

Y

C

C

G

G

V

I

C
|
C

H

H

S
|
S

D

D

I

L

H
|
H

Q

Y

A

I

E

K

N

N

D

E

W

W

G

S

N

N

S

T

I

I

Y

Y

P

P

V

A

V

L

P

P

G

G

H
|
H

E

E

I

I

I

V

G

G

R

E

V

V

T

T

S

E

I

V

G

G

P

S

N

K

V

V

T

N

Q

K

Y

F

K

K

V

V

G

G

D

D

I

K

V

V

G

G

V

V

G

G

C

C

M

I

V

V

D

G

S

S

C
|
C

C

H

S

S

C
|
C

S

P

S

N

C
|
C

H

N

A

N

G

H

L

L

E

E

Q

N

Y

Y

C
|
C

E

P

N

N

G

R

M

I

V

L

G

-

T

T

Y

F

N

-

G

G

K

S

D

R

Y

Y

D

D

G

G

T

T

L

L

T

N

S

H

G

G

Y

Y

S

S

E

D

H

L

I

M

V

V

R

Q

E

E

A

H

F

F

V

A

L

V

S

R

I

I

P

P

D

D

T

A

L

L

D

P

I

L

K

D

A

S

A

A

P

P

L

L

C
|
C

A

A

G

G

I

I

T

T

T

V

Y

Y

S

S

P

P

L

L

K

R

H

Y

Y

Y

G

G

V

L

-

D

K

K

A

P

G

G

D

L

K

H

V

V

G

G

I

V

L

V

G

G

M

L

G

G

L

L

G

G

H

H

M

M

G

A

V

V

K

K

Y

F

A

A

K

K

A

A

L

F

G

G

A

V

E

K

V

V

T

T

V

V

F

V

T

S

R

T

S

S

Q

P

S

A

K

K

V

K

A

E

E

D

A

A

-

I

K

S

L

G

L

L

G

G

A

A

D

H

H

S

V

F

I

I

V

L

S

S

T

T

D

D

A

A

D

E

Q

Q

M

M

A

Q

A

A

T

V

L

G

T

T

F

M

N

D

F

G

L

I

D

D

T

T

I

V

P

S

V

A

A

S

H

H

D

P

F

L

N

P

P

P

Y

L

L

I

N

S

C

L

L

L

K

K

V

S

D

H

G

G

A

K

H

L

I

V

I

M

V

V

G

G

L

-

V

-

T

-

G

-

I

-

D

D

P

P

-

K

-

P

-

L

-

E

I

L

W

P

G

V

A

F

S

P

L

L

I

L

T

L

K

G

R

R

R

K

I

M

L

V

A

A

G

G

S

S

M

A

I

I

G

G

I

M

A

K

E

E

T

T

Q

Q

E

E

M

M

L

I

N

D

F

F

S

A

A

A

E

K

H

E

G

G

I

V

N

R

C

A

E

D

V

V

E

E

M

V

L

I

D

P

I

M

Q

D

N

Y

I

V

N

N

V

T

A

A

Y

M

E

Q

R

R

M

V

K

S

K

K

G

S

D

D

V

V

K

K

Y

Y

R

R

F

F

V

V

I

I

D

D

M

I

active site: C44 (= C39), S46 (= S41), H49 (= H44), H66 (= H61), C160 (= C157)
binding zinc ion: C44 (= C39), H66 (= H61), C97 (= C92), C100 (= C95), C103 (= C98), C111 (= C106), C160 (= C157)

7cguA Crystal structure of abhar
45% identity, 99% coverage: 2:345/349 of query aligns to 4:347/352 of 7cguA

query
sites
7cguA

T

T

K

F

A

G

Y

W

A

A

Q

M

T

D

A

S

T

S

S

G

K

V

M

L

A

S

P

P

L

F

N

T

I

F

Q

S

R

R

T

A

L

T

R

G

P

E

D

E

D

D

V

V

A

R

I

L

D

K

I

V

L

L

Y

Y

C

C

G

G

V

I

C
|
C

H

H

S

S

D

D

I

L

H

G

Q

C

A

I

E

K

N

N

D

E

W

W

G

G

N

W

S

C

I

S

Y

Y

P

P

V

L

V

V

P

P

G

G

H
|
H

E
|
E

I

I

I

V

G

G

R

I

V

A

T

T

S

E

I

V

G

G

P

S

N

K

V

V

T

T

Q

K

Y

F

K

K

V

V

G

G

D

D

I

R

V

V

G

G

V

V

G

G

C

C

M

M

V

V

D

G

S

S

C

C

C

G

S

T

C

C

S

Q

S

N

C

C

H

T

A

Q

G

N

L

Q

E

E

Q

S

Y

Y

C

C

E

P

N

E

G

V

M

I

V

M

G

T

T

C

Y

A

N

S

G

A

K

-

D

-

Y

Y

Y

P

D

D

G

G

T

T

L

P

T

T

S

Y

G

G

Y

F

S

S

E

N

H

Q

I

M

V

V

V

A

R

N

E

E

A

K

F

F

V

V

L

I

S

R

I

I

P

P

D

N

T

S

L

L

D

P

I

L

K

D

A

A

P

P

L

L

C
|
C

A

A

G

G

I

S

T

T

T

V

Y

Y

S

S

P

A

L

M

K

K

H

F

Y

Y

G

G

V

L

-

C

K

S

A

Q

G

G

D

L

K

H

V

L

G

G

I

V

L

V

G

G

M

L

G

G

L

L

G

G

H

H

M

V

G

A

V

V

K

K

Y

F

A

A

K

K

A

A

L

F

G

G

A

M

E

K

V

V

T

T

V

V

F

I

T

S

R

T

S

S

Q

L

S

G

K

K

V

K

A

E

E

E

A

A

-

I

K

N

L

Q

L

L

G

G

A

A

D

D

H

S

V

F

I

L

V

I

S

N

T

T

D

D

A

T

D

E

Q

Q

M

M

A

Q

A

G

A

A

T

M

L

E

T

V

F

M

N

D

F

G

L

I

D

D

T

T

I

V

P

S

V

A

A

L

H

H

D

P

F

I

N

E

P

P

Y

L

L

L

N

G

C

L

L

L

K

K

V

S

-

H

D

Q

G

G

A

K

H

L

I

I

V

V

G

G

L

L

V

P

T

N

G

K

I

-

D

Q

P

P

P

E

I

L

W

P

G

V

A

F

S

S

L

L

I

I

T

N

K

G

R

R

R

K

I

M

L

I

A

G

G

G

S

S

M

A

I

V

G

G

I

V

A

K

E

E

T

T

Q

Q

E

E

M

M

L

I

N

D

F

F

S

A

A

A

E

E

H

H

G

N

I

I

N

T

C

A

E

D

V

I

E

E

M

I

L

V

D

P

I

M

Q

D

N

Y

I

V

N

N

V

T

A

A

Y

M

E

E

R

R

M

L

K

E

K

K

G

G

D

D

V

V

K

K

Y

F

R

R

F

F

V

V

I

I

D

D

M

V

N

E

S

N

binding zinc ion: C41 (= C39), H63 (= H61), E64 (= E62), C157 (= C157)

3twoB The crystal structure of cad from helicobacter pylori complexed with NADP(h) (see paper)
43% identity, 99% coverage: 2:345/349 of query aligns to 5:345/348 of 3twoB

query
sites
3twoB

T

S

K

K

A

G

Y

F

A

A

A

I

Q

F

T

S

A

K

T

D

S

E

K

H

M

F

A

K

P

P

L

H

N

D

I

F

Q

S

R

R

R

H

T

A

L

V

R

G

P

P

D

R

D

D

V

V

A

L

I

I

D

D

I

I

L

L

Y

Y

C

A

G

G

V

I

C
|
C

H
|
H

S
|
S

D

D

I

I

H
|
H

Q

S

A

A

E

Y

N

S

D

E

W

W

G

K

N

E

S

G

I

I

Y

Y

P

P

V

M

V

I

P

P

G

G

H
|
H

E
|
E

I

I

I

A

G

G

R

I

V

I

T

K

S

E

I

V

G

G

P

K

N

G

V

V

T

K

Q

K

Y

F

K

K

V

I

G

G

D

D

I

V

V

V

G

G

V

V

G

G

C

C

M

F

V

V

D

N

S

S

C
|
C

C

K

S

A

C
|
C

S

K

S

P

C
|
C

H

K

A

E

G

H

L

Q

E

E

Q

Q

Y

F

C
|
C

E

T

N

K

G

-

M

V

V
|
V

G

F

T

T

Y

Y

N

D

G

C

K

L

D

D

-

S

Y

F

Y

H

D

D

G

N

T

E

L

P

T

H

S

M

G

G

Y

Y

S

S

E

N

H

N

I

I

V

V

R

D

E

E

A

N

F

Y

V

V

L

I

S

S

I

V

P

D

D

K

T

N

L

A

D

P

I

L

K

E

A

K

A

V

A

A

P

P

L

L

C
|
C

A

A

G

G

I

I

T
|
T

T

T

Y

Y

S

S

P

P

L

L

K

K

H

F

Y

S

G

K

V

V

K

T

A

K

G

G

D

T

K

K

V

V

G

G

I

V

L

A

G
|
G

M
x
F

G
|
G

L
|
L

G

G

H

S

M

M

G

A

V

V

K

K

Y

Y

A

A

K

V

A

A

L

M

G

G

A

A

E

E

V

V

T

S

V

V

F

F

T

A

R
|
R

S

N

Q

E

S

H

K

K

V

K

A

Q

E

D

A

A

K

L

L

S

L

M

G

G

A

V

D

K

H

H

V

F

I

Y

V

-

S

-

T

T

D

D

A

P

D

K

Q

Q

M

C

A

K

A

E

A

-

T

-

L

-

T

E

F

L

N

D

F

F

L

I

D

S

T
|
T

I
|
I

P
|
P

V
x
T

A

H

H

Y

D

D

F

L

N

K

P

D

Y

Y

L

L

N

K

C

L

L

L

K

T

V

Y

D

N

G

G

A

D

H

L

I

A

I

L

V
|
V

G
|
G

L
|
L

V

-

T

-

G

-

I

-

D

-

P

P

I

V

W

E

G

V

A

A

S

P

L

V

I

L

T

S

-

V

-

F

-

D

-

F

-

I

-

H

-

L

K

G

R

N

R

R

I

K

L

V

A

Y

G

G

S

S

M
x
L

I
|
I

G

G

I

I

A

K

E

E

T

T

Q

Q

E

E

M

M

L

V

N

D

F

F

S

S

A

I

E

K

H

H

G

N

I

I

N

Y

C

P

E

E

V

I

E

D

M

L

L

I

D

L

I

G

Q

K

N

D

I

I

N

D

V

T

A

A

Y

Y

E

H

R

N

M
x
L

K

T

K

H

G
|
G

D

K

V

A

K

K

Y

F

R
|
R

F

Y

V

V

I

I

D

D

M

M

N

K

S

K

active site: C42 (= C39), H43 (= H40), S44 (= S41), H47 (= H44), H64 (= H61), E65 (= E62), C95 (= C92), C98 (= C95), C101 (= C98), C109 (= C106), V113 (= V111), C160 (= C157), T164 (= T161), R338 (= R338)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: C42 (= C39), H43 (= H40), S44 (= S41), H47 (= H44), C160 (= C157), T164 (= T161), G184 (= G181), F185 (≠ M182), G186 (= G183), G187 (= G184), L188 (= L185), R208 (= R205), T241 (= T243), I242 (= I244), P243 (= P245), T244 (≠ V246), V264 (= V266), G265 (= G267), L266 (= L268), L292 (≠ M292), I293 (= I293), L330 (≠ M330), G333 (= G333), R338 (= R338)
binding zinc ion: C42 (= C39), H64 (= H61), C95 (= C92), C98 (= C95), C101 (= C98), C109 (= C106), C160 (= C157)

6k3gB Crystal structure of 10-hydroxygeraniol dehydrogenase from cantharanthus roseus in complex with NADP+ (see paper)
49% identity, 98% coverage: 5:347/349 of query aligns to 13:355/356 of 6k3gB

query
sites
6k3gB

Y

W

A

A

Q

R

T

D

A

T

T

S

S

G

K

H

M

L

A

S

P

P

L

F

N

H

I

F

Q

S

R

R

T

A

L

T

R

G

P

E

D

H

D

D

V

V

A

Q

I

F

D

K

I

V

L

L

Y

Y

C

C

G

G

V

I

C
|
C

H
|
H

S
|
S

D

D

I

L

H
|
H

Q

M

A

I

E

K

N

N

D

E

W
|
W

G

G

N

F

S

T

I

K

Y

Y

P

P

V

I

V

V

P

P

G

G

H
|
H

E

E

I

I

I

V

G

G

R

I

V

V

T

T

S

E

I

V

G

G

P

S

N

K

V

V

T

E

Q

K

Y

F

K

K

V

V

G

G

D

D

I

K

V

V

G

G

V

V

G

G

C

C

M

L

V

V

D

G

S

S

C
|
C

C

R

S

K

C
|
C

S

D

S

M

C
|
C

H

T

A

K

G

D

L

L

E

E

Q

N

Y

Y

C
|
C

E

P

N

-

G

G

M

Q

V

I

G

L

T

T

Y

Y

N

S

G

A

K

T

D

-

Y

Y

Y

T

D

D

G

G

T

T

L

T

T

T

S

Y

G

G

Y

Y

S

S

E

D

H

L

I

M

V

V

V

A

R

D

E

E

A

H

F

F

V

V

L

I

S

R

I

W

P

P

D

E

T

N

L

L

D

P

I

M

K

D

A

I

A

G

A

A

P

P

L

L

C
|
C

A

A

G

G

I

I

T
|
T

T

T

Y

Y

S

S

P

P

L

L

K

R

H

Y

Y

F

G

G

V

L

-

D

K

K

A

P

G

G

D

T

K

H

V

V

G

G

I

V

L

V

G
|
G

M
x
L

G
|
G

L
|
L

G

G

H

H

M

V

G

A

V

V

K

K

Y

F

A

A

K

K

A

A

L

F

G

G

A

A

E

K

V

V

T

T

V

V

F

I

T
x
S

R
x
T

S
|
S

Q

E

S

S

K
|
K

V

K

A

Q

E

E

A

A

-

L

K

E

L

K

L

L

G

G

A

A

D

D

H

S

V

F

I

L

V

V

S

S

T

R

D

D

A

P

D

E

Q

Q

M

M

A

K

A

A

T

A

L

A

T

S

F

L

N

D

F

G

L

I

D

D

T
|
T

I
x
V

P
x
S

V
x
A

A

I

H

H

D

P

F

I

N

M

P

P

Y

L

L

L

N

S

C

I

L

L

K

K

V

S

D

H

G

G

A

K

H

L

I

I

I

L

V
|
V

G
|
G

L

-

V

-

T

-

G
x
A

I

P

D

E

P

K

P

P

I

L

W

E

G

L

A

P

S

S

-

F

-

P

L

L

I

I

T

A

K

G

R

R

R

K

I

I

L

I

A

A

G

G

S

S

M
x
A

I
|
I

G

G

I

L

A

K

E

E

T

T

Q

Q

E

E

M

M

L

I

N

D

F

F

S

A

A

A

E

K

H

H

G

N

I

V

N

L

C

P

E

D

V

V

E

E

M

L

L

V

D

S

I

M

Q

D

N

Y

I

V

N

N

V

T

A

A

Y

M

E

E

R

R

M

L

K

L

K

K

G

A

D

D

V

V

K

K

Y

Y

R
|
R

F

F

V

V

I

I

D

D

M

V

-

A

N

N

S

T

L

L

K

K

active site: C47 (= C39), S49 (= S41), H52 (= H44), H69 (= H61), C163 (= C157)
binding nadp nicotinamide-adenine-dinucleotide phosphate: H48 (= H40), S49 (= S41), H52 (= H44), W58 (= W50), C163 (= C157), T167 (= T161), G188 (= G181), L189 (≠ M182), G190 (= G183), G191 (= G184), L192 (= L185), S211 (≠ T204), T212 (≠ R205), S213 (= S206), K216 (= K209), T251 (= T243), V252 (≠ I244), S253 (≠ P245), A254 (≠ V246), V274 (= V266), G275 (= G267), A276 (≠ G271), A299 (≠ M292), I300 (= I293), R345 (= R338)
binding zinc ion: C47 (= C39), H69 (= H61), C100 (= C92), C103 (= C95), C106 (= C98), C114 (= C106), C163 (= C157)

5vktA Cinnamyl alcohol dehydrogenases (sbcad4) from sorghum bicolor (l.) Moench (see paper)
45% identity, 98% coverage: 5:347/349 of query aligns to 6:349/353 of 5vktA

query
sites
5vktA

Y

W

A

A

Q

R

T

D

A

A

T

S

S

G

K

H

M

L

A

S

P

P

L

Y

N

S

I

F

Q

S

R

A

R

R

T

I

L

Q

R

G

P

D

D

A

D

D

V

V

A

T

I

I

D

K

I

V

L

L

Y

F

C

C

G

G

V

I

C
|
C

H
|
H

S
x
T

D

D

I

L

H
|
H

Q

V

A

I

E

K

N

N

D

E

W

W

G

G

N

N

S

A

I

M

Y

Y

P

P

V

V

P

P

G

G

H
|
H

E
|
E

I

V

G

G

R

V

V

V

T

T

S

D

I

V

G

G

P

H

N

G

V

V

T

T

Q

K

Y

F

K

K

V

A

G

G

D

D

I

T

V

V

G

G

V

V

G

G

C

Y

M

F

V

V

D

D

S

S

C
|
C

C

R

S

T

C
|
C

S

E

S

S

C
|
C

H

S

A

T

G

G

L

H

E

E

Q

N

Y

Y

C
|
C

E

P

N

D

G

-

M

L

V
|
V

G

L

T

T

Y

S

N

N

G

G

K

V

D

D

-

H

Y

H

D

H

G

G

T

A

L

T

T

T

S

K

G

G

Y

F

S

S

E

D

H

V

I

L

V

V

R

S

E

Q

A

D

F

F

V

V

L

V

S

R

I

V

P

P

D

E

T

S

L

L

D

P

I

L

K

D

A

G

A

A

P

P

L

L

C
|
C

A

A

G

G

I

V

T
|
T

T

V

Y

Y

S

S

P

P

L

M

K

A

H

Q

Y

Y

G

A

V

L

-

N

K

E

A

P

G

G

D

K

K

H

V

L

G

G

I

V

L

V

G
|
G

M
x
L

G
|
G

L
|
L

G

G

H

H

M

M

G

A

V

V

K

K

Y

F

A

A

K

K

A

A

L

F

G

G

A

M

E

T

V

V

T

T

V

V

F

I

T
x
S

R
x
S

S
|
S

Q

P

S

G

K
|
K

V

R

A

D

E

E

A

A

-

L

K

G

L

R

L

L

G

G

A

A

D

D

H

A

V

F

I

L

V

V

S

S

T

H

D

D

A

A

D

A

Q

Q

M

M

A

K

A

A

T

A

L

A

T

T

F

L

N

D

F

G

L

I

D

D

T
|
T

I
x
V

P
x
S

V
x
A

A

G

H

H

D

Q

F

I

N

V

P

P

Y

L

L

L

N

A

C

L

L

L

K

K

V

P

D

M

G

G

A

Q

H

M

I

V

V
|
V

G
|
G

L

A

-

P

V

S

T

T

G

P

I

L

D

E

P

L

P

P

I

A

W

Y

G

-

A

-

S

A

L

I

I

I

T

T

K

G

R

G

R

K

I

R

L

V

A

A

G

G

S
x
N

M
x
G

I

V

G

G

G

S

I

V

A

A

E

D

T

C

Q

Q

E

A

M

M

L

L

N

D

F

F

S

A

A

G

E

E

H

H

G

G

I

V

N

T

C

A

E

D

V

I

E

E

M

V

L

V

D

Q

I

M

Q

D

N

Y

I

V

N

N

V

T

A

A

Y

I

E

E

R

R

M

L

K

E

K

K

G
x
N

D

D

V

V

K

R

Y

Y

R
|
R

F

F

V

V

I

I

D

D

M

V

N

A

S

G

L

S

K

K

active site: C40 (= C39), H41 (= H40), T42 (≠ S41), H45 (= H44), H62 (= H61), E63 (= E62), C93 (= C92), C96 (= C95), C99 (= C98), C107 (= C106), V111 (= V111), C158 (= C157), T162 (= T161), R340 (= R338)
binding nadp nicotinamide-adenine-dinucleotide phosphate: C40 (= C39), H41 (= H40), T42 (≠ S41), H45 (= H44), C158 (= C157), T162 (= T161), G183 (= G181), L184 (≠ M182), G185 (= G183), G186 (= G184), L187 (= L185), S206 (≠ T204), S207 (≠ R205), S208 (= S206), K211 (= K209), T246 (= T243), V247 (≠ I244), S248 (≠ P245), A249 (≠ V246), V269 (= V266), G270 (= G267), N293 (≠ S291), G294 (≠ M292), N335 (≠ G333), R340 (= R338)
binding zinc ion: C40 (= C39), H62 (= H61), C93 (= C92), C96 (= C95), C99 (= C98), C107 (= C106), C158 (= C157)

8a3nB Geissoschizine synthase from catharanthus roseus - binary complex with NADP+ (see paper)
41% identity, 99% coverage: 4:347/349 of query aligns to 9:350/352 of 8a3nB

query
sites
8a3nB

A

G

Y

W

A

G

A

A

Q

A

T

D

A

A

T

S

S

G

K

V

M

L

A

Q

P

P

L

I

N

K

I

F

Q

Y

R

R

T

V

L

P

R

G

P

E

D

R

D

D

V

V

A

K

I

I

D

R

I

V

L

L

Y

Y

C

S

G

G

V

V

C
|
C

H
x
N

S

F

D

D

I

M

H

E

Q

M

A

V

E

R

N

N

D

K

W

W

G

G

N

F

S

T

I

R

Y

Y

P

P

V

Y

V

V

P

F

G

G

H
|
H

E
|
E

I

T

I

A

G

G

R

E

V

V

T

V

S

E

I

V

G

G

P

S

N

K

V

V

T

E

Q

K

Y

F

K

K

V

V

G

G

D

D

I

K

V

V

G

A

V

V

G

G

C

C

M

M

V

V

D

G

S

S

C
|
C

C

G

S

Q

C
|
C

S

Y

S

N

C
|
C

H

Q

A

S

G

G

L

M

E

E

Q

N

Y

Y

C
|
C

E

P

N

E

G

-

M

-

V

-

G

-

T

-

Y

-

N

-

G

-

K

P

D

N

Y

M

Y

A

D

D

G

G

T

S

L

V

-

Y

-

E

-

R

T

S

S

Y

G

G

Y

C

S

S

E

N

H

V

I

M

V

V

R

D

E

E

A

K

F

F

V

V

L

L

S

R

I

W

P

P

D

E

T

N

L

L

D

P

I

Q

K

D

A

K

A

G

A

V

P

A

L

L

C
|
C

A

A

G

G

I

V

T
x
V

T

V

Y

Y

S

S

P

P

L

M

K

K

H

H

Y

L

G

G

V

L

-

D

K

K

A

P

G

G

D

K

K

H

V

I

G

G

I

V

L

F

G
|
G

M
x
L

G

G

L
|
L

G

G

H

S

M

V

G

A

V

V

K

K

Y

F

A

I

K

K

A

A

L

F

G

G

A

G

E

K

V

A

T

T

V

V

F

I

T
x
S

R
x
T

S

S

Q

R

S

R

K
|
K

V

E

A

K

E

E

A

A

-

I

K

E

L

E

L

H

G

G

A

A

D

D

H

A

V

F

I

V

V

V

S

N

T

T

D

D

A

S

D

E

Q

Q

M

L

A

K

A

A

A

L

T

A

L

G

T

T

F

M

N

D

F

G

L

V

D

D

T
|
T

I

T

P
|
P

V

G

A

G

H

R

D

T

-

P

F

M

N

S

P

L

Y

M

L

L

N

N

C

L

L

L

K

K

V

F

D

D

G

G

A

A

H

V

I

M

I

L

V
|
V

G

G

L
x
A

V

P

T

E

G

S

I

L

D

F

P

-

P

E

I

L

W

P

G

A

A

A

S

P

L

L

I

I

T

M

K

G

R

R

R

K

I

K

L

I

A

I

G

G

S

S

M
x
S

I

T

G

G

I

L

A

K

E

E

T

Y

Q

Q

E

E

M

M

L

L

N

D

F

F

S

A

A

A

E

K

H

H

G

N

I

I

N

V

C

C

E

D

V

T

E

E

M

V

L

I

D

G

I

I

Q

D

N

Y

I

L

N

S

V

T

A

A

Y

M

E

E

R

R

M

I

K

K

K

N

G
x
L

D

D

V

V

K

K

Y

Y

R
|
R

F

F

V

A

I

I

D

D

M

I

-

G

N

N

S

T

L

L

K

K

binding nadp nicotinamide-adenine-dinucleotide phosphate: N45 (≠ H40), V161 (≠ T161), G182 (= G181), L183 (≠ M182), L186 (= L185), S205 (≠ T204), T206 (≠ R205), K210 (= K209), T245 (= T243), P247 (= P245), V269 (= V266), A271 (≠ L268), S294 (≠ M292), L335 (≠ G333), R340 (= R338)
binding zinc ion: C44 (= C39), H66 (= H61), E67 (= E62), C97 (= C92), C100 (= C95), C103 (= C98), C111 (= C106), C157 (= C157)

Q6ZHS4 Cinnamyl alcohol dehydrogenase 2; OsCAD2; Protein GOLD HULL AND INTERNODE 2; EC 1.1.1.195 from Oryza sativa subsp. japonica (Rice) (see paper)
47% identity, 97% coverage: 5:343/349 of query aligns to 13:350/363 of Q6ZHS4

query
sites
Q6ZHS4

Y

W

A

A

Q

R

T

D

A

A

T

S

S

G

K

H

M

L

A

T

P

P

L

Y

N

N

I

Y

Q

T

R

L

R

R

T

K

L

T

R

G

P

P

D

E

D

D

V

V

A

V

I

V

D

K

I

V

L

L

Y

Y

C

C

G

G

V

I

C

C

H

H

S

T

D

D

I

I

H

H

Q

Q

A

A

E

K

N

N

D

H

W

L

G

G

N

A

S

S

I

K

Y

Y

P

P

V

M

V

V

P

P

G

G

H

H

E

E

I

V

G

G

R

E

V

V

T

V

S

E

I

V

G

G

P

P

N

E

V

V

T

T

Q

K

Y

Y

K

S

V

A

G

G

D

D

I

V

V

V

G

G

V

V

G

G

C

V

M

I

V

V

D

G

S

C

C

C

C

R

S

E

C

C

S

H

S

P

C

C

H

K

A

A

G

N

L

V

E

E

Q

Q

Y

Y

C

C

E

-

N

N

G

K

M

R

V

I

G

W

T

S

Y

Y

N

N

G

D

K

V

D

-

Y

Y

Y

T

D

D

G

G

T

R

L

P

T

T

S

Q

G

G

Y

F

S

A

E

S

H

A

I

M

V

V

R

D

E

Q

A

K

F

F

V

V

L

V

S

K

I

I

P

P

D

A

T

G

L

L

D

A

I

P

K

E

A

Q

A

A

P

P

L

L

C

C

A

A

G

G

I

L

T

T

T

V

Y

Y

S

S

P

P

L

L

K

K

H

H

Y

F

G

G

V

L

K

M

A

S

-

P

G

G

D

L

K

R

V

G

G
|
G

I

V

L

L

G

G

M

L

G

G

L

V

G

G

H

H

M

M

G

G

V

V

K

K

Y

V

A

A

K

K

A

S

L

M

G

G

A

H

E

H

V

V

T

T

V

V

F

I

T

S

R

S

S

S

Q

A

S

R

K

K

V

R

A

G

E

E

A

A

-

M

K

D

L

D

L

L

G

G

A

A

D

D

H

A

V

Y

I

L

V

V

S

S

T

S

D

D

A

A

D

A

Q

A

M

M

A

A

T

G

L

D

T

S

F

L

N

D

F

Y

L

I

D

D

T

T

I

V

P

P

V

V

A

H

H

H

D

P

F

L

N

E

P

P

Y

Y

L

L

N

A

C

L

L

L

K

K

V

L

D

D

G

G

A

K

H

L

I

I

I

L

V

M

G

G

L

V

V

-

T

-

G

-

I

I

D

N

P

Q

P

P

I

L

W

S

G

F

A

I

S

S

-

P

-

M

L

V

I

M

T

L

K

G

R

R

R

K

I

A

L

I

A

T

G

G

S

S

M

F

I

I

G

G

G

S

I

M

A

A

E

E

T

T

Q

E

E

E

M

V

L

L

N

N

F

F

S

C

A

V

E

D

H

K

G

G

I

L

N

T

C

S

E

Q

V

I

E

E

M

V

L

V

D

K

I

M

Q

D

N

Y

I

V

N

N

V

Q

A

A

Y

L

E

E

R

R

M

L

K

E

K

R

G

N

D

D

V

V

K

R

Y

Y

R

R

F

F

V

V

I

V

D

D

M

V

G185 (= G178) mutation to D: Loss of activity.

2cf6A Crystal structures of the arabidopsis cinnamyl alcohol dehydrogenases atcad5 (see paper)
44% identity, 98% coverage: 2:344/349 of query aligns to 5:346/352 of 2cf6A

query
sites
2cf6A

T

T

K

T

A

G

Y

W

A

A

Q

R

T

D

A

P

T

S

S

G

K

I

M

L

A

S

P

P

L

Y

N

T

I

Y

Q

T

R

L

R

R

T

E

L

T

R

G

P

P

D

E

D

D

V

V

A

N

I

I

D

R

I

I

L

I

Y

C

C

C

G

G

V

I

C
|
C

H
|
H

S
x
T

D

D

I

L

H
|
H

Q

Q

A

T

E

K

N

N

D

D

W

L

G

G

N

M

S

S

I

N

Y

Y

P

P

V

M

V

V

P

P

G

G

H
|
H

E
|
E

I

V

G

G

R

E

V

V

T

V

S

E

I

V

G

G

P

S

N

D

V

V

T

S

Q

K

Y

F

K

T

V

V

G

G

D

D

I

I

V

V

G

G

V

V

G

G

C

C

M

L

V

V

D

G

S

C

C
|
C

C

G

S

G

C
|
C

S

S

S

P

C
|
C

H

E

A

R

G

D

L

L

E

E

Q

Q

Y

Y

C
|
C

E

P

N

K

G

K

M

-

V
x
I

G

W

T

S

Y

Y

N

N

G

D

K

V

D

-

Y

Y

Y

I

D

N

G

G

T

Q

L

P

T

T

S

Q

G

G

Y

F

S

A

E

K

H

A

I

T

V

V

R

H

E

Q

A

K

F

F

V

V

L

V

S

K

I

I

P

P

D

E

T

G

L

M

D

A

I

V

K

E

A

Q

A

A

P

P

L

L

C
|
C

A

A

G

G

I

V

T
|
T

T

V

Y

Y

S

S

P

P

L

L

K

S

H

H

Y

F

G

G

V

L

K

K

-

Q

A

P

G

G

D

L

K

R

V

G

G

G

I

I

L

L

G

G

M
x
L

G
|
G

L
x
V

G

G

H

H

M

M

G

G

V

V

K

K

Y

I

A

A

K

K

A

A

L

M

G

G

A

H

E

H

V

V

T

T

V

V

F

I

T
x
S

R
x
S

S

S

Q

N

S

K

K
|
K

V

R

A

E

E

E

A

A

-

L

K

Q

L

D

L

L

G

G

A

A

D

D

H

D

V

Y

I

V

V

I

S

G

T

S

D

D

A

Q

D

A

Q

K

M

M

A

S

A

E

A

L

T

A

L

D

T

S

F

L

N

D

F

Y

L

V

L

I

D

D

T
|
T

I

V

P

P

V

V

A

H

H

H

D

A

F

L

N

E

P

P

Y

Y

L

L

N

S

C

L

L

L

K

K

V

L

D

D

G

G

A

K

H

L

I

I

I

L

V
x
M

G

G

L

V

V

-

T

-

G

-

I

I

D

N

P

N

P

P

I

L

W

Q

G

F

A

L

S

T

-

P

-

L

L

L

I

M

T

L

K

G

R

R

R

K

I

V

L

I

A

T

G

G

S
|
S

M
x
F

I
|
I

G

G

G

S

I

M

A

K

E

E

T

T

Q

E

E

E

M

M

L

L

N

E

F

F

S

C

A

K

E

E

H

K

G

G

I

L

N

S

C

S

E

I

V

I

E

E

M

V

L

V

D

K

I

M

Q

D

N

Y

I

V

N

N

V

T

A

A

Y

F

E

E

R

R

M

L

K

E

K

K

G

N

D

D

V

V

K

R

Y

Y

R
|
R

F

F

V

V

I

V

D

D

M

V

N

E

active site: C42 (= C39), H43 (= H40), T44 (≠ S41), H47 (= H44), H64 (= H61), E65 (= E62), C95 (= C92), C98 (= C95), C101 (= C98), C109 (= C106), I113 (≠ V111), C158 (= C157), T162 (= T161), R340 (= R338)
binding nadp nicotinamide-adenine-dinucleotide phosphate: H43 (= H40), T44 (≠ S41), T162 (= T161), L184 (≠ M182), G185 (= G183), G186 (= G184), V187 (≠ L185), S206 (≠ T204), S207 (≠ R205), K211 (= K209), T246 (= T243), M269 (≠ V266), S293 (= S291), F294 (≠ M292), I295 (= I293)
binding zinc ion: C42 (= C39), H64 (= H61), E65 (= E62), C98 (= C95), C109 (= C106)

2cf5A Crystal structures of the arabidopsis cinnamyl alcohol dehydrogenases, atcad5 (see paper)
44% identity, 98% coverage: 2:344/349 of query aligns to 5:346/352 of 2cf5A

query
sites
2cf5A

T

T

K

T

A

G

Y

W

A

A

Q

R

T

D

A

P

T

S

S

G

K

I

M

L

A

S

P

P

L

Y

N

T

I

Y

Q

T

R

L

R

R

T

E

L

T

R

G

P

P

D

E

D

D

V

V

A

N

I

I

D

R

I

I

L

I

Y

C

C

C

G

G

V

I

C
|
C

H
|
H

S
x
T

D

D

I

L

H
|
H

Q

Q

A

T

E

K

N

N

D

D

W

L

G

G

N

M

S

S

I

N

Y

Y

P

P

V

M

V

V

P

P

G

G

H
|
H

E
|
E

I

V

G

G

R

E

V

V

T

V

S

E

I

V

G

G

P

S

N

D

V

V

T

S

Q

K

Y

F

K

T

V

V

G

G

D

D

I

I

V

V

G

G

V

V

G

G

C

C

M

L

V

V

D

G

S

C

C
|
C

C

G

S

G

C
|
C

S

S

S

P

C
|
C

H

E

A

R

G

D

L

L

E

E

Q

Q

Y

Y

C
|
C

E

P

N

K

G

K

M

-

V
x
I

G

W

T

S

Y

Y

N

N

G

D

K

V

D

-

Y

Y

Y

I

D

N

G

G

T

Q

L

P

T

T

S

Q

G

G

Y

F

S

A

E

K

H

A

I

T

V

V

R

H

E

Q

A

K

F

F

V

V

L

V

S

K

I

I

P

P

D

E

T

G

L

M

D

A

I

V

K

E

A

Q

A

A

P

P

L

L

C
|
C

A

A

G

G

I

V

T
|
T

T

V

Y

Y

S

S

P

P

L

L

K

S

H

H

Y

F

G

G

V

L

K

K

-

Q

A

P

G

G

D

L

K

R

V

G

G

G

I

I

L

L

G

G

M

L

G

G

L

V

G

G

H

H

M

M

G

G

V

V

K

K

Y

I

A

A

K

K

A

A

L

M

G

G

A

H

E

H

V

V

T

T

V

V

F

I

T

S

R

S

S

S

Q

N

S

K

K

K

V

R

A

E

E

E

A

A

-

L

K

Q

L

D

L

L

G

G

A

A

D

D

H

D

V

Y

I

V

V

I

S

G

T

S

D

D

A

Q

D

A

Q

K

M

M

A

S

A

E

A

L

T

A

L

D

T

S

F

L

N

D

F

Y

L

V

L

I

D

D

T

T

I

V

P

P

V

V

A

H

H

H

D

A

F

L

N

E

P

P

Y

Y

L

L

N

S

C

L

L

L

K

K

V

L

D

D

G

G

A

K

H

L

I

I

I

L

V

M

G

G

L

V

V

-

T

-

G

-

I

I

D

N

P

N

P

P

I

L

W

Q

G

F

A

L

S

T

-

P

-

L

L

L

I

M

T

L

K

G

R

R

R

K

I

V

L

I

A

T

G

G

S

S

M

F

I

I

G

G

G

S

I

M

A

K

E

E

T

T

Q

E

E

E

M

M

L

L

N

E

F

F

S

C

A

K

E

E

H

K

G

G

I

L

N

S

C

S

E

I

V

I

E

E

M

V

L

V

D

K

I

M

Q

D

N

Y

I

V

N

N

V

T

A

A

Y

F

E

E

R

R

M

L

K

E

K

K

G

N

D

D

V

V

K

R

Y

Y

R
|
R

F

F

V

V

I

V

D

D

M

V

N

E

active site: C42 (= C39), H43 (= H40), T44 (≠ S41), H47 (= H44), H64 (= H61), E65 (= E62), C95 (= C92), C98 (= C95), C101 (= C98), C109 (= C106), I113 (≠ V111), C158 (= C157), T162 (= T161), R340 (= R338)
binding zinc ion: C42 (= C39), H64 (= H61), E65 (= E62), C95 (= C92), C98 (= C95), C101 (= C98), C109 (= C106), C158 (= C157)

O49482 Cinnamyl alcohol dehydrogenase 5; AtCAD5; Cinnamyl alcohol dehydrogenase D; EC 1.1.1.195 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
44% identity, 98% coverage: 2:344/349 of query aligns to 10:351/357 of O49482

query
sites
O49482

T

T

K

T

A

G

Y

W

A

A

Q

R

T

D

A

P

T

S

S

G

K

I

M

L

A

S

P

P

L

Y

N

T

I

Y

Q

T

R

L

R

R

T

E

L

T

R

G

P

P

D

E

D

D

V

V

A

N

I

I

D

R

I

I

L

I

Y

C

C

C

G

G

V

I

C
|
C

H

H

S
x
T

D

D

I

L

H

H

Q

Q

A

T

E

K

N

N

D

D

W

L

G

G

N

M

S

S

I

N

Y

Y

P

P

V

M

V

V

P

P

G

G

H
|
H

E
|
E

I

V

G

G

R

E

V

V

T

V

S

E

I

V

G

G

P

S

N

D

V

V

T

S

Q

K

Y

F

K

T

V

V

G

G

D

D

I

I

V

V

G

G

V

V

G

G

C

C

M

L

V

V

D

G

S

C

C
|
C

C

G

S

G

C
|
C

S

S

S

P

C
|
C

H

E

A

R

G

D

L

L

E

E

Q

Q

Y

Y

C
|
C

E

P

N

K

G

K

M

-

V

I

G

W

T

S

Y

Y

N

N

G

D

K

V

D

-

Y

Y

Y

I

D

N

G

G

T

Q

L

P

T

T

S

Q

G

G

Y

F

S

A

E

K

H

A

I

T

V

V

R

H

E

Q

A

K

F

F

V

V

L

V

S

K

I

I

P

P

D

E

T

G

L

M

D

A

I

V

K

E

A

Q

A

A

P

P

L

L

C
|
C

A

A

G

G

I

V

T
|
T

T

V

Y

Y

S

S

P

P

L

L

K

S

H

H

Y

F

G

G

V

L

K

K

-

Q

A

P

G

G

D

L

K

R

V

G

G

G

I

I

L

L

G
|
G

M
x
L

G
|
G

L
x
V

G
|
G

H

H

M

M

G

G

V

V

K

K

Y

I

A

A

K

K

A

A

L

M

G

G

A

H

E

H

V

V

T

T

V

V

F

I

T
x
S

R
x
S

S
|
S

Q
x
N

S
x
K

K
|
K

V

R

A

E

E

E

A

A

-

L

K

Q

L

D

L

L

G

G

A

A

D

D

H

D

V

Y

I

V

V

I

S

G

T

S

D

D

A

Q

D

A

Q

K

M

M

A

S

A

E

A

L

T

A

L

D

T

S

F

L

N

D

F

Y

L

V

L

I

D

D

T
|
T

I

V

P

P

V

V

A

H

H

H

D

A

F

L

N

E

P

P

Y

Y

L

L

N

S

C

L

L

L

K

K

V

L

D

D

G

G

A

K

H

L

I

I

I

L

V

M

G
|
G

L

V

V

-

T

-

G

-

I

I

D

N

P

N

P

P

I

L

W

Q

G

F

A

L

S

T

-

P

-

L

L

L

I

M

T

L

K

G

R

R

R

K

I

V

L

I

A

T

G

G

S
|
S

M
x
F

I
|
I

G

G

G

S

I

M

A

K

E

E

T

T

Q

E

E

E

M

M

L

L

N

E

F

F

S

C

A

K

E

E

H

K

G

G

I

L

N

S

C

S

E

I

V

I

E

E

M

V

L

V

D

K

I

M

Q

D

N

Y

I

V

N

N

V

T

A

A

Y

F

E

E

R

R

M

L

K

E

K

K

G

N

D

D

V

V

K

R

Y

Y

R

R

F

F

V

V

I

V

D

D

M

V

N

E

C47 (= C39) binding Zn(2+)
T49 (≠ S41) binding NADP(+)
H69 (= H61) binding Zn(2+)
E70 (= E62) binding Zn(2+); mutation to A: Loss of activity.
C100 (= C92) binding Zn(2+)
C103 (= C95) binding Zn(2+)
C106 (= C98) binding Zn(2+)
C114 (= C106) binding Zn(2+)
C163 (= C157) binding Zn(2+)
T167 (= T161) binding NADP(+)
GLGGVG 188:193 (≠ GMGGLG 181:186) binding NADP(+)
SSSNKK 211:216 (≠ TRSQSK 204:209) binding NADP(+)
T251 (= T243) binding NADP(+)
G275 (= G267) binding NADP(+)
SFI 298:300 (≠ SMI 291:293) binding NADP(+)

5h81B Heteroyohimbine synthase thas2 from catharanthus roseus - complex with NADP+ (see paper)
38% identity, 99% coverage: 4:349/349 of query aligns to 6:354/354 of 5h81B

query
sites
5h81B

A

G

Y

W

A

A

Q

K

T

D

A

T

T

S

S

G

K

L

M

L

A

S

P

P

L

F

N

K

I

F

Q

L

R

R

T

T

L

T

R

G

P

E

D

H

D

D

V

V

A

Q

I

F

D

K

I

V

L

L

Y

Y

C

C

G

G

V

L

C
|
C

H

D

S

W

D

D

I

V

H

I

Q

T

A

T

E

K

N

N

D

T

W

Y

G

G

N

T

S

T

I

K

Y

Y

P

P

V

F

V

V

P

P

G

G

H
|
H

E
|
E

I

I

I

M

G

G

R

I

V

V

T

T

S

E

I

I

G

G

P

N

N

K

V

V

T

K

Q

K

Y

F

K

K

V

V

G

G

D

D

I

K

V

V

G

G

V

V

G

G

C

N

M

F

V

I

D

G

S

S

C
|
C

C

G

S

K

C
|
C

S

E

S

R

C
|
C

H

N

A

E

G

G

L

L

E

E

Q

P

Y

Y

C
|
C

E

P

N

K

G

V

M

I

V

-

G

-

T

-

Y

-

N

-

G

-

K

-

D

-

Y

Y

Y

T

D

D

G

G

T

T

L

A

T

F

S

S

-

D

-

E

-

N

-

T

-

V

-

Y

-

G

-

D

-

V

-

S

-

G

-

D

-

G

-

E

-

D

-

R

-

I

-

Y

G

G

Y

Y

S

S

E

N

H

I

I

M

V

V

V

A

R

N

E

E

A

Y

F

V

V

V

L

F

S

R

I

W

P

P

D

E

T

N

L

L

D

P

I

L

K

A

A

A

A

G

A

V

P

P

L

I

L

L

C
|
C

A

G

G

G

I

I

T
x
V

T

P

Y

Y

S

S

P

P

L

M

K

R

H

H

Y

F

G

G

V

L

-

D

K

K

A

P

G

G

D

L

K

S

V

I

G

G

I

V

L

V

G

G

M
x
F

G
|
G

G
x
R

L
x
I

G

G

H

K

M

L

G

A

V

V

K

K

Y

F

A

A

K

K

A

A

L

F

G

G

A

A

E

N

V

V

T

T

V

V

F

I

T
x
S

R
x
T

S
|
S

Q

I

S

S

K
|
K

V

K

A

Q

E

E

A

A

-

I

K

E

L

K

L

Y

G

G

A

V

D

D

H

R

V

F

I

L

V

I

S

S

T

K

D

E

A

P

D

E

Q

E

M

M

A

K

A

A

T

E

L

S

T

T

F

L

N

D

F

G

L

I

L

F

D

D

T

C

I
x
V

P
|
P

V

S

A

V

H

H

D

P

F

L

N

H

P

P

Y

L

L

L

N

N

C

L

L

L

K

K

V

F

D

E

G

G

A

T

H

F

I

V

I

M

V
x
L

G

G

L

V

V

-

T

-

G

-

I

-

D

-

P

-

I

-

W

-

G

-

A

S

S

P

L

L

I

L

T

M

K

G

R

R

I

K

L

F

A

V

G

G

S

S

M
x
I

I

S

G

G

G

T

I

M

A

K

E

E

T

T

Q

Q

E

E

M

M

L

L

N

D

F

F

S

A

A

A

E

K

H

H

G

N

I

I

N

V

C

S

E

D

V

I

E

E

M

L

L

I

D

P

I

M

Q

D

N

Y

I

V

N

N

V

T

A

A

Y

L

E

E

R

R

M

I

K

A

K

K

G

G

D

N

V

H

K

K

Y

D

R
x
A

F

F

V

V

I

I

D

D

M

I

N

E

S

N

L

T

K

L

K

K

S

S

active site: A343 (≠ R338)
binding nadp nicotinamide-adenine-dinucleotide phosphate: V174 (≠ T161), F196 (≠ M182), G197 (= G183), R198 (≠ G184), I199 (≠ L185), S218 (≠ T204), T219 (≠ R205), S220 (= S206), K223 (= K209), V259 (≠ I244), P260 (= P245), L281 (≠ V266), I297 (≠ M292)
binding zinc ion: C41 (= C39), H63 (= H61), E64 (= E62), C94 (= C92), C97 (= C95), C100 (= C98), C108 (= C106), C170 (= C157)

8b1vA Dihydroprecondylocarpine acetate synthase 2 from tabernanthe iboga (see paper)
42% identity, 96% coverage: 11:345/349 of query aligns to 20:353/358 of 8b1vA

query
sites
8b1vA

T

T

S

G

K

I

M

L

A

S

P

P

L

F

N

K

I

F

Q

S

R

R

T

A

L

T

R

G

P

D

D

N

D

D

V

I

A

R

I

I

D

K

I

I

L

L

Y

Y

C

C

G

G

V

I

C

C

H

H

S
x
T

D

D

I

L

H

T

Q

S

A

V

E

K

N

N

D

E

W
x
Y

G

E

N

F

S

L

I

S

Y

Y

P

P

V

L

V

V

P

P

G

G

H

M

E

E

I

I

I

V

G

G

R

I

V

A

T

T

S

E

I

V

G

G

P

S

N

K

V

V

T

T

Q

K

Y

I

K

K

V

V

G

G

D

E

I

K

V

V

G

A

V

V

G

A

C

A

M
x
Y

V

L

D

G

S

T

C
|
C

C

G

S

K

C
|
C

S

Y

S

N

C

C

H

V

A

N

G

D

L

L

E

E

Q

N

Y

Y

C
|
C

E

P

N

E

G
x
V

M

I

V
x
I

G

G

T
x
Y

Y

-

N

-

G

G

K

T

D

P

Y

Y

Y

H

D

D

G

G

T

T

L

I

T

N

S

Y

G

G

Y

L

S

S

E

N

H

E

I

T

V

V

R

N

E

E

A

R

F

F

V

V

L

L

S

R

I

F

P

P

D

E

T

K

L

L

D

S

I

P

K

A

A

G

A

A

P

P

L

L

C

S

A

A

G

G

I

I

T

T

T

A

Y

Y

S

S

P

A

L

M

K

R

H

N

Y

H

G

G

V

L

-

D

K

K

A

P

G

G

D

I

K

H

V

L

G

G

I

V

L

V

G

G

M

L

G

G

L

L

G

G

H

H

M

L

G

A

V

V

K

K

Y

F

A

A

K

K

A

A

L

F

G

G

A

V

E

R

V

V

T

T

V

V

F

I

T

S

R

T

S

T

Q

P

S

S

K

K

V

K

A

D

E

E

A

A

-

I

K

N

L

N

L

L

G

G

A

A

D

D

H

A

V

F

I

L

V

F

S

S

T

R

D

D

A

D

D

K

Q

Q

M

M

A

R

A

A

T

I

L

G

T

T

F

F

N

D

F

A

L

I

D

D

T

T

I

L

P

A

V

V

A

V

H

H

D

P

F

I

N

A

P

P

Y

L

L

L

N

D

C

L

L

L

K

R

V

S

D

H

G

G

A

K

H

L

I

V

I

L

V

V

G

G

L

A

V

P

T

S

G

K

-

P

I

L

D

E

P

L

P

P

I

T

W

I

G

-

A

-

S

P

L

L

I

L

T

S

K

G

R

G

R

K

I

S

L

L

A

I

G

G

S

S

M

A

I

A

G

G

G

N

I

V

A

K

E

Q

T

T

Q

Q

E

E

M

M

L

L

N

D

F

F

S

A

A

A

E

E

H

H

G

D

I

I

N

T

C

A

E

N

V

I

E

E

M

V

L

I

D

P

I

I

Q

D

N

Y

I

I

N

N

V

T

A

A

Y

M

E

E

R

R

M

L

K

D

K

K

G

G

D

D

V

I

K

R

Y

F

R

R

F

F

V

V

I

V

D

D

M

I

N

E

S

N

binding precondylocarpine acetate: T50 (≠ S41), Y59 (≠ W50), Y97 (≠ M88), V118 (≠ G109), I120 (≠ V111), Y122 (≠ T113)
binding zinc ion: C101 (= C92), C104 (= C95), C115 (= C106)

8b25B Dihydroprecondylocarpine acetate synthase 2 from tabernanthe iboga - stemmadenine acetate bound structure (see paper)
42% identity, 96% coverage: 11:345/349 of query aligns to 20:353/359 of 8b25B

query
sites
8b25B

T

T

S

G

K

I

M

L

A

S

P

P

L

F

N

K

I

F

Q

S

R

R

T

A

L

T

R

G

P

D

D

N

D

D

V

I

A

R

I

I

D

K

I

I

L

L

Y

Y

C

C

G

G

V

I

C

C

H

H

S
x
T

D

D

I

L

H

T

Q

S

A

V

E

K

N

N

D

E

W
x
Y

G

E

N

F

S

L

I

S

Y

Y

P

P

V

L

V

V

P

P

G

G

H

M

E

E

I

I

I

V

G

G

R

I

V

A

T

T

S

E

I

V

G

G

P

S

N

K

V

V

T

T

Q

K

Y

I

K

K

V

V

G

G

D

E

I

K

V

V

G

A

V

V

G

A

C

A

M
x
Y

V

L

D

G

S

T

C
|
C

C

G

S

K

C
|
C

S

Y

S

N

C
|
C

H

V

A

N

G

D

L

L

E

E

Q

N

Y

Y

C
|
C

E

P

N

E

G

V

M

I

V
x
I

G

G

T
x
Y

Y

-

N

-

G

G

K

T

D

P

Y

Y

Y

H

D

D

G

G

T

T

L

I

T

N

S

Y

G

G

Y

L

S

S

E

N

H

E

I

T

V

V

R

N

E

E

A

R

F

F

V

V

L

L

S

R

I

F

P

P

D

E

T

K

L

L

D

S

I

P

K

A

A

G

A

A

P

P

L

L

C

S

A

A

G

G

I

I

T

T

T

A

Y

Y

S

S

P

A

L

M

K

R

H

N

Y

H

G

G

V

L

-

D

K

K

A

P

G

G

D

I

K

H

V

L

G

G

I

V

L

V

G

G

M

L

G

G

L

L

G

G

H

H

M

L

G

A

V

V

K

K

Y

F

A

A

K

K

A

A

L

F

G

G

A

V

E

R

V

V

T

T

V

V

F

I

T

S

R

T

S

T

Q

P

S

S

K

K

V

K

A

D

E

E

A

A

-

I

K

N

L

N

L

L

G

G

A

A

D

D

H

A

V

F

I

L

V

F

S

S

T

R

D

D

A

D

D

K

Q

Q

M

M

A

R

A

A

T

I

L

G

T

T

F

F

N

D

F

A

L

I

D

D

T

T

I

L

P

A

V

V

A

V

H

H

D

P

F

I

N

A

P

P

Y

L

L

L

N

D

C

L

L

L

K

R

V

S

D

H

G

G

A

K

H

L

I

V

I

L

V

V

G

G

L

A

V

P

T

S

G

K

-

P

I

L

D

E

P

L

P

P

I

T

W

I

G

-

A

-

S

P

L

L

I

L

T

S

K

G

R

G

R

K

I

S

L

L

A

I

G

G

S

S

M

A

I

A

G

G

G

N

I

V

A

K

E

Q

T

T

Q

Q

E

E

M

M

L

L

N

D

F

F

S

A

A

A

E

E

H

H

G

D

I

I

N

T

C

A

E

N

V

I

E

E

M

V

L

I

D

P

I

I

Q

D

N

Y

I

I

N

N

V

T

A

A

Y

M

E

E

R

R

M

L

K

D

K

K

G

G

D

D

V

I

K

R

Y

F

R

R

F

F

V

V

I

V

D

D

M

I

N

E

S

N

binding stemmadenine acetate: T50 (≠ S41), Y59 (≠ W50), Y97 (≠ M88), I120 (≠ V111), Y122 (≠ T113)
binding zinc ion: C101 (= C92), C104 (= C95), C107 (= C98), C115 (= C106)

5fi3A Heteroyohimbine synthase thas1 from catharanthus roseus - complex with NADP+ (see paper)
40% identity, 98% coverage: 6:347/349 of query aligns to 10:343/344 of 5fi3A

query
sites
5fi3A

A

A

Q

K

T

D

A

S

T

S

S

G

K

L

M

F

A

S

P

P

L

F

N

N

I

F

Q

S

R

R

T

A

L

T

R

G

P

E

D

H

D

D

V

V

A

Q

I

L

D

K

I

V

L

L

Y

Y

C

C

G

G

V

T

C
|
C

H
x
Q

S
x
Y

D

D

I

R

H
x
E

Q

M

A

S

E

K

N

N

D

K

W

F

G

G

N

F

S

T

I

S

Y

Y

P

P

V

Y

V

V

P

L

G

G

H
|
H

E
|
E

I

I

I

V

G

G

R

E

V

V

T

T

S

E

I

V

G

G

P

S

N

K

V

V

T

Q

Q

K

Y

F

K

K

V

V

G

G

D

D

I

K

V

V

G

G

V

V

G

A

C

S

M

I

V

I

D

E

S

T

C
|
C

C

G

S

K

C
|
C

S

E

S

M

C
|
C

H

T

A

N

G

E

L

V

E

E

Q

N

Y

Y

C
|
C

E

P

N

E

G

A

M

-

V

-

G

-

T

-

Y

-

N

-

G

-

K

-

D

-

Y

-

D

-

G
|
G

T

S

L

I

T

D

S

S

-

N

-

Y

G

G

G

A

Y

C

S

S

E

N

H

I

I

A

V

V

V

I

R

N

E

E

A

N

F

F

V

V

L

I

S

R

I

W

P

P

D

E

T

N

L

L

D

P

I

L

K

D

A

S

A

G

A

V

P

P

L

L

C
|
C

A

A

G

G

I

I

T
|
T

T

A

Y

Y

S

S

P

P

L

M

K

K

H

R

Y

Y

G

G

V

L

-

D

K

K

A

P

G

G

D

K

K

R

V

I

G

G

I

I

L

A

G
|
G

M
x
L

G
|
G

L
|
L

G

G

H

H

M

V

G

A

V

L

K

R

Y

F

A

A

K

K

A

A

L

F

G

G

A

A

E

K

V

V

T

T

V

V

F

I

T
x
S

R
x
S

S

S

Q

L

S

K

K
|
K

V

K

A

R

E

E

A

A

-

F

K

E

L

K

L

F

G

G

A

A

D

D

H

S

V

F

I

L

V

V

S

S

T

S

D

N

A

P

D

E

Q

E

M

M

A

Q

A

G

A

A

T

A

L

G

T

T

F

L

N

D

F

G

L

I

D

D

T
|
T

I
|
I

P
|
P

V

G

A

N

H

H

D

S

F

L

N

E

P

P

Y

L

L

L

N

A

C

L

L

L

K

K

V

P

D

L

G

G

A

K

H

L

I

I

V
x
L

G
|
G

L

-

V

A

T

P

G

E

I

M

D

P

P

F

P

E

I

V

W

P

G

A

A

P

S

S

L

L

I

L

T

M

K

G

R

G

R

K

I

V

L

M

A

A

G

A

S

S

M
x
T

I

A

G

G

G

S

I

M

A

K

E

E

T

I

Q

Q

E

E

M

M

L

I

N

E

F

F

S

A

A

A

E

E

H

H

G

N

I

I

N

V

C

A

E

D

V

V

E

E

M

V

L

I

D

S

I

I

Q

D

N

Y

I

V

N

N

V

T

A

A

Y

M

E

E

R

R

M

L

K

D

K

N

G
x
S

D

D

V

V

K

R

Y

Y

R
|
R

F

F

V

V

I

I

D

D

M

I

-

G

N

N

S

T

L

L

K

K

active site: C43 (= C39), Q44 (≠ H40), Y45 (≠ S41), E48 (≠ H44), H65 (= H61), E66 (= E62), C96 (= C92), C99 (= C95), C102 (= C98), C110 (= C106), G114 (= G122), C151 (= C157), R333 (= R338)
binding nadp nicotinamide-adenine-dinucleotide phosphate: Q44 (≠ H40), E48 (≠ H44), T155 (= T161), G176 (= G181), L177 (≠ M182), G178 (= G183), G179 (= G184), L180 (= L185), S199 (≠ T204), S200 (≠ R205), K204 (= K209), T239 (= T243), I240 (= I244), P241 (= P245), L262 (≠ V266), G263 (= G267), T287 (≠ M292), S328 (≠ G333)
binding zinc ion: C43 (= C39), H65 (= H61), E66 (= E62), C96 (= C92), C99 (= C95), C102 (= C98), C110 (= C106), C151 (= C157)

5h83A Heteroyohimbine synthase hys from catharanthus roseus - apo form (see paper)
41% identity, 100% coverage: 2:349/349 of query aligns to 11:353/354 of 5h83A

query
sites
5h83A

T

T

K

F

A

G

Y

F

A

A

Q

K

T

D

A

S

T

S

S

G

K

F

M

F

A

S

P

P

L

F

N

N

I

F

Q

S

R

R

T

A

L

T

R

G

P

E

D

N

D

D

V

V

A

Q

I

F

D

K

I

V

L

L

Y

Y

C

C

G

G

V

T

C
|
C

H

N

S

Y

D

D

I

L

H

E

Q

M

A

S

E

T

N

N

D

K

W

F

G

G

N

M

S

T

I

K

Y

Y

P

P

V

F

V

V

P

I

G

G

H
|
H

E
|
E

I

I

I

V

G

G

R

V

V

V

T

T

S

E

I

I

G

G

P

S

N

K

V

V

T

Q

Q

K

Y

F

K

K

V

V

G

G

D

D

I

K

V

V

G

G

V

V

G

G

C

G

M

F

V

V

D

G

S

A

C
|
C

C

E

S

K

C
|
C

S

E

S

M

C
|
C

H

V

A

N

G

G

L

V

E

E

Q

N

Y

N

C
|
C

E

S

N

K

G

-

M

-

V

-

G

-

T

-

Y

V

N

E

G

S

K

T

D

D

Y

G

Y

H

D

F

G

G

T

N

L

-

T

N

S

F

G

G

Y

C

S

C

E

N

H

I

I

M

V

V

R

N

E

E

A

K

F

Y

V

A

L

V

S

V

I

W

P

P

D

E

T

N

L

L

D

P

I

L

K

H

A

S

A

G

A

V

P

P

L

L

C
|
C

A

A

G

G

I

I

T

T

Y

Y

S

S

P

P

L

L

K

R

H

R

Y

Y

G

G

V

L

-

D

K

K

A

P

G

G

D

L

K

N

V

I

G

G

I

I

L

A

G

G

M

L

G

G

L

L

G

G

H

H

M

L

G

A

V

I

K

R

Y

F

A

A

K

K

A

A

L

F

G

G

A

A

E

K

V

V

T

T

V

L

F

I

T

S

R

S

S

S

Q

V

S

K

K

K

V

K

A

R

E

E

A

A

-

L

K

E

L

K

L

F

G

G

A

V

D

D

H

S

V

F

I

L

V

L

S

N

T

S

D

N

A

P

D

E

Q

E

M

M

A

Q

A

G

A

A

T

Y

L

G

T

T

F

L

N

D

F

G

L

I

D

D

T

T

I

M

P

P

V

V

A

A

H

H

D

S

F

I

N

V

P

P

Y

F

L

L

N

A

C

L

L

L

K

K

V

P

D

L

G

G

A

K

H

L

I

I

V

L

G

G

L

V

V

P

T

E

G

-

I

-

D

E

P

P

-

F

P

E

I

V

W

P

G

A

A

P

S

A

L

L

I

L

T

M

K

G

R

G

R

K

I

L

L

I

A

A

G

G

S

S

M

A

I

A

G

G

G

S

I

M

A

K

E

E

T

T

Q

Q

E

E

M

M

L

I

N

D

F

F

S

A

A

A

E

K

H

H

G

N

I

I

N

V

C

A

E

D

V

V

E

E

M

V

L

I

D

P

I

I

Q

D

N

Y

I

L

N

N

V

T

A

A

Y

M

E

E

R

R

M

I

K

K

K

N

G

S

D

D

V

V

K

K

Y

Y

R
|
R

F

F

V

V

I

I

D

D

M

V

N

G

S

N

L

T

K

L

K

K

S

S

active site: R342 (= R338)
binding zinc ion: C48 (= C39), H70 (= H61), E71 (= E62), C101 (= C92), C104 (= C95), C107 (= C98), C115 (= C106), C160 (= C157)

Query Sequence

>WP_054340851.1 NCBI__GCF_001305295.1:WP_054340851.1
MTKAYAAQTATSKMAPLNIQRRTLRPDDVAIDILYCGVCHSDIHQAENDWGNSIYPVVPG
HEIIGRVTSIGPNVTQYKVGDIVGVGCMVDSCCSCSSCHAGLEQYCENGMVGTYNGKDYY
DGTLTSGGYSEHIVVREAFVLSIPDTLDIKAAAPLLCAGITTYSPLKHYGVKAGDKVGIL
GMGGLGHMGVKYAKALGAEVTVFTRSQSKVAEAKLLGADHVIVSTDADQMAAATLTFNFL
LDTIPVAHDFNPYLNCLKVDGAHIIVGLVTGIDPPIWGASLITKRRILAGSMIGGIAETQ
EMLNFSAEHGINCEVEMLDIQNINVAYERMKKGDVKYRFVIDMNSLKKS

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