SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Pf1N1B4_1109 FitnessBrowser__pseudo1_N1B4:Pf1N1B4_1109 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)

3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
38% identity, 99% coverage: 6:480/481 of query aligns to 9:480/481 of 3jz4A

query
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3jz4A

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active site: N156 (= N152), K179 (= K175), E254 (= E250), C288 (= C284), E385 (= E383), E462 (= E462)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P150), W155 (= W151), K179 (= K175), A181 (= A177), S182 (≠ D178), A212 (≠ G208), G216 (= G212), G232 (= G228), S233 (= S229), I236 (≠ V232), C288 (= C284), K338 (≠ Q334), E385 (= E383), F387 (= F385)

P25526 Succinate-semialdehyde dehydrogenase [NADP(+)] GabD; SSDH; Glutarate-semialdehyde dehydrogenase; EC 1.2.1.79; EC 1.2.1.- from Escherichia coli (strain K12) (see paper)
38% identity, 99% coverage: 6:480/481 of query aligns to 10:481/482 of P25526

query
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P25526

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WN 156:157 (= WN 151:152) binding NADP(+)
KPAS 180:183 (≠ KPAD 175:178) binding NADP(+)
GS 233:234 (= GS 228:229) binding NADP(+)
L256 (≠ M251) binding NADP(+)
E386 (= E383) binding NADP(+)

4neaA 1.90 angstrom resolution crystal structure of betaine aldehyde dehydrogenase (betb) from staphylococcus aureus in complex with NAD+ and bme-free cys289 (see paper)
35% identity, 97% coverage: 10:475/481 of query aligns to 21:489/505 of 4neaA

query
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4neaA

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T

Q

A

N

G

S

I

I

H

K

D

D

K

K

F

F

V

E

E

Q

A

A

M

L

A

I

E

D

R

R

M

V

K

K

S

K

I

I

K

K

V

L

G

G

H

N

A

G

L

F

K

D

T

A

G

D

T

T

D

E

I

M

G

G

P

P

V

V

V

I

S

S

Q

T

A

E

Q

H

L

R

E

N

Q

K

D

I

L

E

K

S

Y

Y

I

M

D

D

I

V

G

A

Q

K

S

A

E

E

G

G

A

A

R

T

L

I

V

A

S

V

G

G

G

G

G

K

L

R

V

P

A

D

C

R

D

D

-

D

-

L

T

K

E

D

G

G

Y

L

F

F

L

F

A

E

P

P

T

T

L

V

F

I

A

T

D

N

S

C

T

D

A

T

A

S

M

M

R

R

I

I

S

V

R

Q

E

E

E
|
E

I

V

F
|
F

G

G

P

P

V

V

A

V

N

T

I

V

V

E

R

G

V

F

A

E

D

T

Y

E

E

Q

A

E

A

A

L

I

A

Q

M

L

A

A

N

N

D

D

T

S

E

I

F

Y

G

G

L

L

S

A

A

G

G

A

I

V

A

F

T

S

T

K

S

D

L

I

K

G

Y

K

A

A

N

Q

H

R

F

V

K

A

R

N

H

K

S

L

Q

K

A

L

G

G

M

T

V

V

M

W

V

I

N

N

L

-

P

-

T

-

A

-

G

-

V

-

D

D

Y

F

H

H

-

P

-

Y

-

F

-

A

-

Q

V

A

P

P

F

W

G

G

G

G

R

Y

K

K

G

Q

S

S

S

G

Y

I

G

G

S

-

R

R

E
|
E

Q

L

G

G

R

K

Y

E

A

G

Q

L

E

E

F

E

Y

Y

T

L

V

V

V

S

K

K

active site: N166 (= N152), K189 (= K175), E264 (= E250), C298 (= C284), E399 (= E383), E476 (= E462)
binding nicotinamide-adenine-dinucleotide: P164 (= P150), K189 (= K175), E192 (≠ D178), G222 (= G208), G226 (= G212), G242 (= G228), G243 (≠ S229), T246 (≠ V232), H249 (≠ Q235), I250 (= I236), C298 (= C284), E399 (= E383), F401 (= F385)

4go2A Crystal structure of thE C-terminal domain of 10'formyltetrahydrofolate dehydrogenase in complex with thio-NADP (see paper)
37% identity, 98% coverage: 7:476/481 of query aligns to 18:493/498 of 4go2A

query
sites
4go2A

Y

Y

D

Q

N

L

Y

F

I

I

N

G

G

G

E

E

W

F

V

V

-

D

-

A

S

E

G

G

A

S

D

K

Y

T

S

Y

A

N

N

T

I

I

N

N

P

P

S

T

E

D

L

-

T

G

D

S

T

V

I

I

G

C

D

Q

Y

V

A

S

K

L

A

A

D

Q

L

V

A

S

Q

D

V

V

H

D

A

K

A

A

I

V

D

A

A

A

A

A

R

K

A

E

A

A

F

F

P

E

-

N

-

G

A

L

W

W

S

G

T

K

S

I

G

N

I

A

Q

R

A

D

R

R

H

G

D

R

S

L

L

L

D

Y

K

R

V

L

G

A

T

D

E

V

I

M

L

E

A

Q

R

H

R

Q

E

E

E

E

L

L

G

A

T

T

L

I

L

E

A

A

R

L

E

D

E

A

G

G

K

A

T

V

L

Y

P

T

E

L

A

A

I

L

G

K

-

T

E

H

V

V

T

G

R

M

A

S

G

I

N

Q

I

T

F

F

K

R

F

Y

F

F

A

A

G

G

E

W

C

C

L

D

R

K

L

I

S

Q

G

G

D

A

Y

T

L

I

P

P

-

I

-

N

S

Q

V

A

R

R

P

P

G

N

V

R

N

N

V

L

E

T

V

L

T

T

R

K

-

K

E

E

A

P

L

V

G

G

V

V

V

C

G

G

L

I

I
x
V

T
x
I

P
|
P

W
|
W

N
|
N

F

Y

P

P

I

L

A

M

I

M

P

L

A

S

W

W

K

K

I

T

A

A

P

A

A

C

L

L

A

A

Y

A

G

G

N

N

C

T

V

V

V

V

L

I

K
|
K

P

P

A
|
A

D
x
Q

L

V

V

T

P

P

G

L

C

T

A

A

W

L

A

K

L

F

A

A

E

E

I

L

I

T

S

L

R

K

A

A

G

G

F

I

P

P

A

K

G

G

V

V

F

V

N

N

L

I

V

L

M

P

G

G

S
|
S

G
|
G

R

S

V

L

V

V

G
|
G

D
x
Q

A

R

L

L

V

S

Q

D

S

H

P

P

K

D

V

V

D

R

G

K

I

I

S

G

F
|
F

T

T

G
|
G

S
|
S

V

T

G

E

V
|
V

G

G

R

K

Q

H

I
|
I

A

M

V

K

S

S

C

C

-

A

V

L

S

S

R

N

Q

V

A

K

K

K

V

V

Q

S

L

L

E
|
E

M

L

G
|
G

G

G

K

K

N

S

P

P

Q

L

I

I

I

I

L

F

D

A

D

D

A

C

D

D

L

L

K

N

Q

K

A

A

V

V

E

Q

L

M

S

G

V

M

Q

S

S

S

A

V

F

F

Y

F

S

N

T

K

G

G

Q

E

R

N

C
|
C

T

I

A

A

S

A

S

G

R

R

F

L

I

F

V

V

T

E

A

E

G

S

I

I

H

H

D

N

K

Q

F

F

V

V

E

Q

A

K

M

V

A

V

E

E

R

E

M

V

K

E

S

K

I

M

K

K

V

I

G

G

H

N

A

P

L

L

K

E

T

R

G

D

T

T

D

N

I

H

G

G

P

P

V

Q

V

N

S

H

Q

E

A

A

Q

H

L

L

E

R

Q

K

D

L

L

V

K

E

Y

Y

I

C

D

Q

I

R

G

G

Q

V

S

K

E

E

G

G

A

A

R

T

L

L

V

V

S

C

G

G

G

G

G

N

L

Q

V

V

A

P

C

-

D

-

T

R

E

P

G

G

Y

F

F

F

L

F

A

Q

P

P

T

T

L

V

F

F

A

T

D

D

S

V

T

E

A

D

A

H

M

M

R

Y

I

I

S

A

R

K

E

E

E
|
E

I

S

F
|
F

G

G

P

P

V

I

A

M

N

I

I

I

V

S

R

R

V

F

A

A

-

D

-

G

D

D

Y

V

E

D

A

A

A

V

L

L

A

S

M

R

A

A

N

N

D

A

T

T

E

E

F

F

G

G

L

L

S

A

A

S

G

G

I

V

A

F

T

T

T

R

S

D

L

I

K

N

Y

K

A

A

N

L

H

Y

F

V

K

S

R

D

H

K

S

L

Q

Q

A

A

G

G

M

T

V

V

M

F

V

I

N

N

L

T

P

Y

T

N

A

K

G

-

V

T

D

D

Y

V

H

A

V

A

P

P

F

F

G

G

G

G

R

F

K

K

G

Q

S

S

S

G

Y

F

G

G

S

-

R

K

E
x
D

Q

L

G

G

R

E

Y

A

A

A

Q

L

E

N

F

E

Y

Y

T

L

V

R

V

I

K

K

T

T

active site: N170 (= N152), K193 (= K175), E269 (= E250), C303 (= C284), E400 (= E383), D479 (≠ E462)
binding 7-thionicotinamide-adenine-dinucleotide phosphate: V166 (≠ I148), I167 (≠ T149), P168 (= P150), W169 (= W151), K193 (= K175), A195 (= A177), Q196 (≠ D178), S225 (= S207), G226 (= G208), G230 (= G212), Q231 (≠ D213), F244 (= F226), G246 (= G228), S247 (= S229), V250 (= V232), I254 (= I236), E269 (= E250), G271 (= G252), C303 (= C284), E400 (= E383), F402 (= F385)

2o2rA Crystal structure of thE C-terminal domain of rat 10'formyltetrahydrofolate dehydrogenase in complex with NADPH (see paper)
37% identity, 98% coverage: 7:476/481 of query aligns to 18:493/498 of 2o2rA

query
sites
2o2rA

Y

Y

D

Q

N

L

Y

F

I

I

N

G

G

G

E

E

W

F

V

V

-

D

-

A

S

E

G

G

A

S

D

K

Y

T

S

Y

A

N

N

T

I

I

N

N

P

P

S

T

E

D

L

-

T

G

D

S

T

V

I

I

G

C

D

Q

Y

V

A

S

K

L

A

A

D

Q

L

V

A

S

Q

D

V

V

H

D

A

K

A

A

I

V

D

A

A

A

A

A

R

K

A

E

A

A

F

F

P

E

-

N

-

G

A

L

W

W

S

G

T

K

S

I

G

N

I

A

Q

R

A

D

R

R

H

G

D

R

S

L

L

L

D

Y

K

R

V

L

G

A

T

D

E

V

I

M

L

E

A

Q

R

H

R

Q

E

E

E

E

L

L

G

A

T

T

L

I

L

E

A

A

R

L

E

D

E

A

G

G

K

A

T

V

L

Y

P

T

E

L

A

A

I

L

G

K

-

T

E

H

V

V

T

G

R

M

A

S

G

I

N

Q

I

T

F

F

K

R

F

Y

F

F

A

A

G

G

E

W

C

C

L

D

R

K

L

I

S

Q

G

G

D

A

Y

T

L

I

P

P

-

I

-

N

S

Q

V

A

R

R

P

P

G

N

V

R

N

N

V

L

E

T

V

L

T

T

R

K

-

K

E

E

A

P

L

V

G

G

V

V

V

C

G

G

L

I

I
x
V

T
x
I

P

P

W
|
W

N
|
N

F

Y

P

P

I

L

A

M

I

M

P

L

A

S

W

W

K

K

I

T

A

A

P

A

A

C

L

L

A

A

Y

A

G

G

N

N

C

T

V

V

V

V

L

I

K
|
K

P

P

A
|
A

D
x
Q

L

V

V

T

P

P

G

L

C

T

A

A

W

L

A

K

L

F

A

A

E

E

I

L

I

T

S

L

R

K

A

A

G

G

F

I

P

P

A

K

G

G

V

V

F

V

N

N

L

I

V

L

M

P

G

G

S
|
S

G
|
G

R

S

V

L

V

V

G
|
G

D
x
Q

A

R

L

L

V

S

Q

D

S

H

P

P

K

D

V

V

D

R

G

K

I

I

S

G

F
|
F

T

T

G

G

S
|
S

V

T

G

E

V
|
V

G

G

R

K

Q

H

I
|
I

A

M

V

K

S

S

C

C

-

A

V

L

S

S

R

N

Q

V

A

K

K

K

V

V

Q

S

L

L

E
|
E

M

L

G

G

G

G

K

K

N

S

P

P

Q

L

I

I

I

I

L

F

D

A

D

D

A

C

D

D

L

L

K

N

Q

K

A

A

V

V

E

Q

L

M

S

G

V

M

Q

S

S

S

A

V

F

F

Y

F

S

N

T

K

G

G

Q

E

R

N

C
|
C

T

I

A

A

S

A

S

G

R

R

F

L

I

F

V

V

T

E

A

E

G

S

I

I

H

H

D

N

K

Q

F

F

V

V

E

Q

A

K

M

V

A

V

E

E

R

E

M

V

K

E

S

K

I

M

K

K

V

I

G

G

H

N

A

P

L

L

K

E

T

R

G

D

T

T

D

N

I

H

G

G

P

P

V

Q

V

N

S

H

Q

E

A

A

Q

H

L

L

E

R

Q

K

D

L

L

V

K

E

Y

Y

I

C

D

Q

I

R

G

G

Q

V

S

K

E

E

G

G

A

A

R

T

L

L

V

V

S

C

G

G

G

G

G

N

L

Q

V

V

A

P

C

-

D

-

T

R

E

P

G

G

Y

F

F

F

L

F

A

Q

P

P

T

T

L

V

F

F

A

T

D

D

S

V

T

E

A

D

A

H

M

M

R

Y

I

I

S

A

R

K

E

E

E
|
E

I

S

F

F

G

G

P

P

V

I

A

M

N

I

I

I

V

S

R

R

V

F

A

A

-

D

-

G

D

D

Y

V

E

D

A

A

A

V

L

L

A

S

M

R

A

A

N

N

D

A

T

T

E

E

F

F

G

G

L

L

S

A

A

S

G

G

I

V

A

F

T

T

T

R

S

D

L

I

K

N

Y

K

A

A

N

L

H

Y

F

V

K

S

R

D

H

K

S

L

Q

Q

A

A

G

G

M

T

V

V

M

F

V

I

N

N

L

T

P

Y

T

N

A

K

G

-

V

T

D

D

Y

V

H

A

V

A

P

P

F

F

G

G

G

G

R

F

K

K

G

Q

S

S

S

G

Y

F

G

G

S

-

R

K

E
x
D

Q

L

G

G

R

E

Y

A

A

A

Q

L

E

N

F

E

Y

Y

T

L

V

R

V

I

K

K

T

T

active site: N170 (= N152), K193 (= K175), E269 (= E250), C303 (= C284), E400 (= E383), D479 (≠ E462)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V166 (≠ I148), I167 (≠ T149), W169 (= W151), K193 (= K175), A195 (= A177), Q196 (≠ D178), S225 (= S207), G226 (= G208), G230 (= G212), Q231 (≠ D213), F244 (= F226), S247 (= S229), V250 (= V232), I254 (= I236)

7rluA Structure of aldh1l1 (10-formyltetrahydrofolate dehydrogenase) in complex with NADP (see paper)
37% identity, 98% coverage: 7:476/481 of query aligns to 103:578/583 of 7rluA

query
sites
7rluA

Y

Y

D

Q

N

L

Y

F

I

I

N

G

G

G

E

E

W

F

V

V

-

D

-

A

S

E

G

G

A

S

D

K

Y

T

S

Y

A

N

N

T

I

I

N

N

P

P

S

T

E

D

L

-

T

G

D

S

T

V

I

I

G

C

D

Q

Y

V

A

S

K

L

A

A

D

Q

L

V

A

S

Q

D

V

V

H

D

A

K

A

A

I

V

D

A

A

A

A

A

R

K

A

E

A

A

F

F

P

E

-

N

-

G

A

L

W

W

S

G

T

K

S

I

G

N

I

A

Q

R

A

D

R

R

H

G

D

R

S

L

L

L

D

Y

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N

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A

A

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Y

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binding nadp nicotinamide-adenine-dinucleotide phosphate: K278 (= K175), S310 (= S207), G311 (= G208), G315 (= G212), G331 (= G228), S332 (= S229), V335 (= V232)
binding 4'-phosphopantetheine: K201 (≠ G102), F382 (≠ Y278), N387 (≠ R283), C388 (= C284), N545 (≠ T441)

P28037 Cytosolic 10-formyltetrahydrofolate dehydrogenase; 10-FTHFDH; FDH; Aldehyde dehydrogenase family 1 member L1; FBP-CI; EC 1.5.1.6 from Rattus norvegicus (Rat) (see 5 papers)
37% identity, 98% coverage: 7:476/481 of query aligns to 422:897/902 of P28037

query
sites
P28037

Y

Y

D

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N

L

Y

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A

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IPW 571:573 (≠ TPW 149:151) binding NADP(+)
KPAQ 597:600 (≠ KPAD 175:178) binding NADP(+)
GSLVGQ 630:635 (≠ GRVVGD 208:213) binding NADP(+)
GS 650:651 (= GS 228:229) binding NADP(+)
E673 (= E250) mutation to A: Loss of aldehyde dehydrogenase activity.
EL 673:674 (≠ EM 250:251) binding NADP(+)
C707 (= C284) mutation to A: Loss of formyltetrahydrofolate dehydrogenase activity. No effect on formyltetrahydrofolate hydrolase activity. No effect on NADP binding. No effect on homotetramerization.
K757 (≠ Q334) binding NADP(+)
ESF 804:806 (≠ EIF 383:385) binding NADP(+)

Sites not aligning to the query:

142 Essential for catalytic activity; D→A: Loss of formyltetrahydrofolate dehydrogenase activity. Loss of formyltetrahydrofolate hydrolase activity. No effect on aldehyde dehydrogenase activity.
354 modified: O-(pantetheine 4'-phosphoryl)serine; S→A: Loss of phosphopantetheinylation. Loss of formyltetrahydrofolate dehydrogenase activity. No effect on hydrolase and aldehyde dehydrogenase activities in vitro.

7radA Crystal structure analysis of aldh1b1
38% identity, 98% coverage: 10:479/481 of query aligns to 16:486/493 of 7radA

query
sites
7radA

Y

F

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A

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G

G

A

A

R

K

L

L

V

L

S

C

G

G

G

G

G

E

L

R

V

F

A

G

C

-

D

-

T

E

E

R

G

G

Y

F

F

F

L

I

A

K

P

P

T

T

L

V

F

F

A

G

D

G

S

V

T

Q

A

D

A

D

M

M

R

R

I

I

S

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

A

Q

N

P

I

L

V

F

R

K

V

F

A

K

D

K

Y

I

E

E

A

E

A

V

L

V

A

E

M

R

A

A

N

N

D

N

T

T

E

R

F

Y

G

G

L

L

S

A

A

A

G

A

I

V

A

F

T

T

T

R

S

D

L

L

K

D

Y

K

A

A

N

M

H

Y

F

F

K

T

R

Q

H

A

S

L

Q

Q

A

A

G

G

M

T

V

V

M

W

V

V

N

N

L

T

P

Y

T
x
N

A

I

G

-

V
|
V

D

T

Y

C

H

H

V

T

P

P

F

F

G

G

G

G

R

F

K

K

G

E

S

S

S

G

Y

N

G

G

S

-

R

R

E

E

Q

L

G

G

R

E

Y

D

A

G

Q

L

E

K

F

A

Y

Y

T

T

V

E

V

V

K

K

T

T

S

V

Y

T

I

I

binding nicotinamide-adenine-dinucleotide: I158 (= I148), I159 (≠ T149), P160 (= P150), W161 (= W151), N162 (= N152), M167 (≠ I157), K185 (= K175), E188 (≠ D178), G218 (= G208), G222 (= G212), A223 (≠ D213), T237 (= T227), G238 (= G228), S239 (= S229), V242 (= V232), E261 (= E250), L262 (≠ M251), C295 (= C284), E392 (= E383), F394 (= F385)
binding 3-(2-methoxyphenyl)-1-(4-phenylphenyl)-6,7,8,9-tetrahydro-5~{H}-imidazo[1,2-a][1,3]diazepine: L113 (vs. gap), E117 (≠ R106), F163 (= F153), E285 (≠ Q274), F289 (≠ Y278), N450 (≠ T441), V452 (= V444)

7mjdA Crystal structure analysis of aldh1b1
38% identity, 98% coverage: 10:479/481 of query aligns to 16:486/493 of 7mjdA

query
sites
7mjdA

Y

F

I

I

N

N

G

N

E

E

W

W

V

Q

S

D

G

A

A

V

D

S

Y

K

S

K

A

T

-

F

-

P

N

T

I

V

N

N

P

P

S

T

E

-

L

T

T

G

D

E

T

V

I

I

G

G

D

H

Y

V

A

A

K

E

A

G

D

D

L

R

A

A

Q

D

V

V

H

D

A

R

A

A

I

V

D

K

A

A

A

A

R

R

A

E

A

A

F

F

-

R

-

L

-

G

P

S

A

P

W

W

S

R

T

R

S

M

G

D

I

A

Q

S

A

E

R

R

H

G

D

R

S

L

L

L

D

N

K

R

V

L

G

A

T

D

E

L

I

V

L

E

A

R

R

D

R

R

E

V

E

Y

L

L

G

A

T

S

L

L

L

E

A

T

R

L

E

D

E

N

G

G

K

K

T

P

L

F

P

Q

E

E

A

S

I

Y

G

A

-

L

E

D

V

L

T

D

R
x
E

A

V

G

I

N

K

I

V

F

Y

K

R

F

Y

F

F

A

A

G

G

E

W

C

A

L

D

R

K

L

W

S

H

G

G

D

K

Y

T

L

I

P

P

S

M

V

-

R

-

P

D

G

G

V

Q

N

H

V

F

E

C

V

F

T

T

R

R

-

H

E

E

A

P

L

V

G

G

V

V

V

C

G

G

L

Q

I
|
I

T
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

I

L

A

V

I
x
M

P

Q

A

G

W

W

K

K

I

L

A

A

P

P

A

A

L

L

A

A

Y

T

G

G

N

N

C

T

V

V

V

V

L

M

K
|
K

P

V

A

A

D
x
E

L

Q

V

T

P

P

G

L

C

S

A

A

W

L

A

Y

L

L

A

A

E

S

I

L

I

I

S

K

R

E

A

A

G

G

F

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

I

M

T

G

G

S

Y

G
|
G

R

P

V

T

V

A

G
|
G

D

A

A

A

L

I

V

A

Q

Q

S

H

P

M

K

D

V

V

D

D

G

K

I

V

S

A

F
|
F

T
|
T

G
|
G

S
|
S

V

T

G

E

V
|
V

G

G

R

H

Q

L

I

I

A

Q

V

K

S

A

C

A

-

G

V

D

S

S

R

N

Q

L

A

K

K

R

V

V

Q

T

L

L

E
|
E

M
x
L

G

G

G

G

K

K

N

S

P

P

Q

S

I

I

I

V

L

L

D

A

D

D

A

A

D

D

L

M

K

E

Q

H

A

A

V

V

E

E

L

Q

S

C

V

H

Q
x
E

S

A

A

L

F

F

Y
x
F

S

N

T

M

G

G

Q

Q

R

C

C
|
C

T

C

A

A

S

G

S

S

R

R

F

T

I

F

V

V

T

E

A

E

G

S

I

I

H

Y

D

N

K

E

F

F

V

L

E

E

A

R

M

T

A

V

E

E

R

K

M

A

K

K

S

Q

I

R

K

K

V

V

G

G

H

N

A

P

L

F

K

E

T

L

G

D

T

T

D

Q

I

Q

G

G

P

P

V

Q

V

V

S

D

Q

K

A

E

Q

Q

L

F

E

E

Q

R

D

V

L

L

K

G

Y

Y

I

I

D

Q

I

L

G

G

Q

Q

S

K

E

E

G

G

A

A

R

K

L

L

V

L

S

C

G

G

G

G

G

E

L

R

V

F

A

G

C

-

D

-

T

E

E

R

G

G

Y

F

F

F

L

I

A

K

P

P

T

T

L

V

F

F

A

G

D

G

S

V

T

Q

A

D

A

D

M

M

R

R

I

I

S

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

A

Q

N

P

I

L

V

F

R

K

V

F

A

K

D

K

Y

I

E

E

A

E

A

V

L

V

A

E

M

R

A

A

N

N

D

N

T

T

E

R

F

Y

G

G

L

L

S

A

A

A

G

A

I

V

A

F

T

T

T

R

S

D

L

L

K

D

Y

K

A

A

N

M

H

Y

F

F

K

T

R

Q

H

A

S

L

Q

Q

A

A

G

G

M

T

V

V

M

W

V

V

N

N

L

T

P

Y

T
x
N

A

I

G

-

V
|
V

D

T

Y

C

H

H

V

T

P

P

F

F

G

G

G

G

R

F

K

K

G

E

S

S

S

G

Y

N

G

G

S

-

R

R

E

E

Q

L

G

G

R

E

Y

D

A

G

Q

L

E

K

F

A

Y

Y

T

T

V

E

V

V

K

K

T

T

S

V

Y

T

I

I

binding nicotinamide-adenine-dinucleotide: I158 (= I148), I159 (≠ T149), P160 (= P150), W161 (= W151), N162 (= N152), M167 (≠ I157), K185 (= K175), E188 (≠ D178), G218 (= G208), G222 (= G212), F236 (= F226), T237 (= T227), G238 (= G228), S239 (= S229), V242 (= V232), E261 (= E250), L262 (≠ M251), C295 (= C284), E392 (= E383), F394 (= F385)
binding 8-(2-methoxyphenyl)-10-(4-phenylphenyl)-1$l^{4},8-diazabicyclo[5.3.0]deca-1(7),9-diene: E117 (≠ R106), E285 (≠ Q274), F289 (≠ Y278), N450 (≠ T441), V452 (= V444)

7mjcA Crystal structure analysis of aldh1b1
38% identity, 98% coverage: 10:479/481 of query aligns to 16:486/493 of 7mjcA

query
sites
7mjcA

Y

F

I

I

N

N

G

N

E

E

W

W

V

Q

S

D

G

A

A

V

D

S

Y

K

S

K

A

T

-

F

-

P

N

T

I

V

N

N

P

P

S

T

E

-

L

T

T

G

D

E

T

V

I

I

G

G

D

H

Y

V

A

A

K

E

A

G

D

D

L

R

A

A

Q

D

V

V

H

D

A

R

A

A

I

V

D

K

A

A

A

A

R

R

A

E

A

A

F

F

-

R

-

L

-

G

P

S

A

P

W

W

S

R

T

R

S

M

G

D

I

A

Q

S

A

E

R

R

H

G

D

R

S

L

L

L

D

N

K

R

V

L

G

A

T

D

E

L

I

V

L

E

A

R

R

D

R

R

E

V

E

Y

L

L

G

A

T

S

L

L

L

E

A

T

R

L

E

D

E

N

G

G

K

K

T

P

L

F

P

Q

E

E

A

S

I

Y

G

A

-

L

E

D

V

L

T

D

R

E

A

V

G

I

N

K

I

V

F

Y

K

R

F

Y

F

F

A

A

G

G

E

W

C

A

L

D

R

K

L

W

S

H

G

G

D

K

Y

T

L

I

P

P

S

M

V

-

R

-

P

D

G

G

V

Q

N

H

V

F

E

C

V

F

T

T

R

R

-

H

E

E

A

P

L

V

G

G

V

V

V

C

G

G

L

Q

I
|
I

T
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

I

L

A

V

I

M

P

Q

A

G

W

W

K

K

I

L

A

A

P

P

A

A

L

L

A

A

Y

T

G

G

N

N

C

T

V

V

V

V

L

M

K
|
K

P

V

A

A

D
x
E

L

Q

V

T

P

P

G

L

C

S

A

A

W

L

A

Y

L

L

A

A

E

S

I

L

I

I

S

K

R

E

A

A

G

G

F

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

I

M

T

G

G

S

Y

G
|
G

R

P

V

T

V

A

G
|
G

D

A

A

A

L

I

V

A

Q

Q

S

H

P

M

K

D

V

V

D

D

G

K

I

V

S

A

F

F

T
|
T

G
|
G

S
|
S

V

T

G

E

V
|
V

G

G

R

H

Q

L

I

I

A

Q

V

K

S

A

C

A

-

G

V

D

S

S

R

N

Q

L

A

K

K

R

V

V

Q

T

L

L

E
|
E

M
x
L

G

G

G

G

K

K

N

S

P

P

Q

S

I

I

I

V

L

L

D

A

D

D

A

A

D

D

L

M

K

E

Q

H

A

A

V

V

E

E

L

Q

S

C

V

H

Q

E

S

A

A

L

F

F

Y

F

S

N

T

M

G

G

Q

Q

R

C

C
|
C

T

C

A

A

S

G

S

S

R

R

F

T

I

F

V

V

T

E

A

E

G

S

I

I

H

Y

D

N

K

E

F

F

V

L

E

E

A

R

M

T

A

V

E

E

R

K

M

A

K

K

S

Q

I

R

K

K

V

V

G

G

H

N

A

P

L

F

K

E

T

L

G

D

T

T

D

Q

I

Q

G

G

P

P

V

Q

V

V

S

D

Q

K

A

E

Q

Q

L

F

E

E

Q

R

D

V

L

L

K

G

Y

Y

I

I

D

Q

I

L

G

G

Q

Q

S

K

E

E

G

G

A

A

R

K

L

L

V

L

S

C

G

G

G

G

G

E

L

R

V

F

A

G

C

-

D

-

T

E

E

R

G

G

Y

F

F

F

L

I

A

K

P

P

T

T

L

V

F

F

A

G

D

G

S

V

T

Q

A

D

A

D

M

M

R

R

I

I

S

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

A

Q

N

P

I

L

V

F

R

K

V

F

A

K

D

K

Y

I

E

E

A

E

A

V

L

V

A

E

M

R

A

A

N

N

D

N

T

T

E

R

F

Y

G

G

L

L

S

A

A

A

G

A

I

V

A

F

T

T

T

R

S

D

L

L

K

D

Y

K

A

A

N

M

H

Y

F

F

K

T

R

Q

H

A

S

L

Q

Q

A

A

G

G

M

T

V

V

M

W

V

V

N

N

L

T

P

Y

T

N

A

I

G

-

V

V

D

T

Y

C

H

H

V

T

P

P

F

F

G

G

G

G

R

F

K

K

G

E

S

S

S

G

Y

N

G

G

S

-

R

R

E

E

Q

L

G

G

R

E

Y

D

A

G

Q

L

E

K

F

A

Y

Y

T

T

V

E

V

V

K

K

T

T

S

V

Y

T

I

I

binding nicotinamide-adenine-dinucleotide: I158 (= I148), I159 (≠ T149), P160 (= P150), W161 (= W151), N162 (= N152), K185 (= K175), E188 (≠ D178), G218 (= G208), G222 (= G212), T237 (= T227), G238 (= G228), S239 (= S229), V242 (= V232), E261 (= E250), L262 (≠ M251), C295 (= C284), E392 (= E383), F394 (= F385)

8rwkA Cryoem structure of the central ald4 filament determined by filamentid (see paper)
39% identity, 94% coverage: 25:475/481 of query aligns to 41:487/495 of 8rwkA

query
sites
8rwkA

I

I

N

N

P

P

S

S

E

T

L

E

T

E

D

E

T

I

I

C

G

H

D

I

Y

Y

A

E

K

G

A

R

D

E

L

-

A

D

Q

D

V

V

H

E

A

E

A

A

I

V

D

Q

A

A

A

A

R

D

A

R

A

A

F

F

P

S

A

N

W

G

S

S

T

W

S

N

G

G

I

I

Q

D

A

P

-

I

-

D

R

R

H

G

D

K

S

A

L

L

D

Y

K

R

V

L

G

A

T

E

E

L

I

I

L

E

A

Q

R

D

R

K

E

D

E

V

L

I

G

A

T

S

L

I

L

E

A

T

R

L

E

D

E

N

G

G

K

K

T

A

L

I

P

S

E

S

A

S

I

R

G

G

E

D

V

V

T

D

R

L

A

V

G

I

N

N

I

Y

F

L

K

K

F

S

F

S

A

A

G

G

E

F

C

A

L

D

R

K

L

I

S

D

G

G

D

R

Y

M

L

I

P

D

S

T

V

G

R

R

P

T

G

H

V

F

N

S

V

Y

E

-

V

T

T

K

R

R

E

Q

A

P

L

L

G

G

V

V

V

C

G

G

L

Q

I

I

T

I

P

P

W

W

N
|
N

F

F

P

P

I

L

A

L

I

M

P

W

A

A

W

W

K

K

I

I

A

A

P

P

A

A

L

L

A

V

Y

T

G

G

N

N

C

T

V

V

V

V

L

L

K

K

P

T

A

A

D
x
E

L

S

V

T

P

P

G

L

C

S

A

A

W

L

A

Y

L

V

A

S

E

K

I

Y

I

I

S

P

R

Q

A

A

G

G

F

I

P

P

A

P

G

G

V

V

F

I

N

N

L

I

V

V

M

S

G

G

S

F

G
|
G

R

K

V

I

V

V

G
|
G

D

E

A

A

L

I

V

T

Q

N

S

H

P

P

K

K

V

I

D

K

G

K

I

V

S

A

F
|
F

T

T

G

G

S
|
S

V

T

G

A

V
x
T

G

G

R

R

Q

H

I

I

A

Y

V

Q

S

S

C

A

V

A

S

A

R

G

Q

L

A

K

K

K

V

V

Q

T

L

L

E

E

M

L

G

G

G

G

K

K

N

S

P

P

Q

N

I

I

I

V

L

F

D

A

D

D

A

A

D

E

L

L

K

K

Q

K

A

A

V

V

E

Q

L

N

S

I

V

I

Q

L

S

G

A

I

F

Y

Y

Y

S

N

T

S

G

G

Q

E

R

V

C
|
C

T

C

A

A

S

G

S

S

R

R

F

V

I

Y

V

V

T

E

A

E

G

S

I

I

H

Y

D

D

K

K

F

F

V

I

E

E

A

E

M

F

A

K

E

A

R

A

M

S

K

E

S

S

I

I

K

K

V

V

G

G

H

D

A

P

L

F

K

D

T

E

G

S

T

T

D

F

I

Q

G

G

P

A

V

Q

V

T

S

S

Q

Q

A

M

Q

Q

L

L

E

N

Q

K

D

I

L

L

K

K

Y

Y

I

V

D

D

I

I

G

G

Q

K

S

N

E

E

G

G

A

A

R

T

L

L

V

I

S

T

G

G

G

G

G

E

L

R

V

L

A

G

C

-

D

-

T

S

E

K

G

G

Y

Y

F

F

L

I

A

K

P

P

T

T

L

V

F

F

A

G

D

D

S

V

T

K

A

E

A

D

M

M

R

R

I

I

S

V

R

K

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

A

V

N

T

I

V

V

T

R

K

V

F

A

K

D

S

Y

A

E

D

A

E

A

V

L

I

A

N

M

M

A

A

N

N

D

D

T

S

E

E

F

Y

G

G

L

L

S

A

A

A

G

G

I

I

A

H

T

T

T

S

S

N

L

I

K

N

Y

T

A

A

N

L

H

K

F

V

K

A

R

D

H

R

S

V

Q

N

A

A

G

G

M

T

V

V

M

W

V

I

N

N

L

T

P

Y

T

N

A

-

G

-

V

-

D

D

Y

F

H

H

-

H

-

A

V

V

P

P

F

F

G

G

G

G

R

F

K

N

G

A

S

S

S

G

Y

L

G

G

S

-

R

R

E

E

Q

M

G

S

R

V

Y

D

A

A

Q

L

E

Q

F

N

Y

Y

T

L

V

Q

V

V

K

K

binding nadp nicotinamide-adenine-dinucleotide phosphate: N168 (= N152), E194 (≠ D178), G224 (= G208), G228 (= G212), F242 (= F226), S245 (= S229), T248 (≠ V232), C300 (= C284), E397 (= E383)

P54115 Magnesium-activated aldehyde dehydrogenase, cytosolic; Mg(2+)-activated acetaldehyde dehydrogenase; Mg(2+)-ACDH; EC 1.2.1.-; EC 1.2.1.4 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 2 papers)
37% identity, 97% coverage: 10:475/481 of query aligns to 29:494/500 of P54115

query
sites
P54115

Y

F

I

I

N

N

G

N

E

K

W

F

V

M

S

K

G

A

A

Q

D

D

-

G

Y

K

S

T

A

Y

N

P

I

V

N

E

P

D

S

P

E

S

L

T

T

E

D

N

T

T

I

V

G

C

D

E

Y

V

A

S

K

S

A

A

D

T

L

T

A

E

Q

D

V

V

H

E

A

Y

A

A

I

I

D

E

A

C

A

A

R

D

A

R

A

A

F

F

-

H

-

D

P

T

A

E

W

W

S

A

T

T

S

Q

G

D

I

P

Q

R

A

E

R

R

H

G

D

R

S

L

L

L

D

S

K

K

V

L

G

A

T

D

E

E

I

L

L

E

A

S

R

Q

R

I

E

D

E

L

L

V

G

S

T

S

L

I

L

E

A

A

R

L

E

D

E

N

G

G

K

K

T

T

L

L

P

A

E

L

A

A

I

R

G

G

E

D

V

V

T

T

R

I

A

A

G

I

N

N

I

C

F

L

K

R

F

D

F

A

A

A

G

A

E

Y

C

A

L

D

R

K

L

V

S

N

G

G

D

R

Y

T

L

I

P

N

S

T

V

G

R

D

P

G

G

Y

V

M

N

N

V

F

E

-

V

T

T

T

R

L

E

E

A

P

L

I

G

G

V

V

V

C

G

G

L

Q

I

I

T

I

P

P

W

W

N

N

F

F

P

P

I

I

A

M

I

M

P

L

A

A

W

W

K

K

I

I

A

A

P

P

A

A

L

L

A

A

Y

M

G

G

N

N

C

V

V

C

V

I

L

L

K

K

P

P

A

A

D

A

L

V

V

T

P

P

G

L

C

N

A

A

W

L

A

Y

L

F

A

A

E

S

I

L

I

C

S

K

R

K

A

V

G

G

F

I

P

P

A

A

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

S

P

G

G

R

R

V

T

V

V

G

G

D

A

A

A

L

L

V

T

Q

N

S

D

P

P

K

R

V

I

D

R

G

K

I

L

S

A

F

F

T

T

G

G

S

S

V

T

G

E

V

V

G

G

R

K

Q

S

I

V

A

A

V

V

-

D

S

S

C

S

V

E

S

S

R

N

Q

L

A

K

K

K

V

I

Q

T

L

L

E

E

M

L

G

G

G

G

K

K

N

S

P

A

Q

H

I

L

I

V

L

F

D

D

D

D

A

A

D

N

L

I

K

K

Q

K

A

T

V

L

E

P

L

N

S

L

V

V

Q

N

S

G

A

I

F

F

Y

K

S

N

T

A

G

G

Q

Q

R

I

C

C

T

S

A

S

S

G

S

S

R

R

F

I

I

Y

V

V

T

Q

A

E

G

G

I

I

H

Y

D

D

K

E

F

L

V

L

E

A

A

A

M

F

A

K

E

A

R

Y

M

L

K

E

S

T

-

E

I

I

K

K

V

V

G

G

H

N

A

P

L

F

K

D

T

K

G

A

T

N

D

F

I

Q

G

G

P

A

V

I

V

T

S

N

Q

R

A

Q

Q

Q

L

F

E

D

Q

T

D

I

L

M

K

N

Y

Y

I

I

D

D

I

I

G

G

Q

K

S

K

E

E

G

G

A

A

R

K

L

I

V

L

S

T

G

G

G

G

G

E

L

K

V

V

A

G

C

-

D

-

T

D

E

K

G

G

Y

Y

F

F

L

I

A

R

P

P

T

T

L

V

F

F

A

Y

D

D

S

V

T

N

A

E

A

D

M

M

R

R

I

I

S

V

R

K

E

E

E

E

I

I

F

F

G

G

P

P

V

V

A

V

N

T

I

V

V

A

R

K

V

F

A

K

D

T

Y

L

E

E

A

E

A

G

L

V

A

E

M

M

A

A

N

N

D

S

T

S

E

E

F

F

G

G

L

L

S

G

A

S

G

G

I

I

A

E

T

T

T

E

S

S

L

L

K

S

Y

T

A

G

N

L

H

K

F

V

K

A

R

K

H

M

S

L

Q

K

A

A

G

G

M

T

V

V

M

W

V

I

N

N

L

T

P

Y

T

N

A

-

G

D

V

F

D

D

Y

S

H

R

V

V

P

P

F

F

G

G

G

G

R

V

K

K

G

Q

S

S

S

G

Y

Y

G

G

S

-

R

R

E

E

Q

M

G

G

R

E

Y

E

A

V

Q

Y

E

H

F

A

Y

Y

T

T

V

E

V

V

K

K

Sites not aligning to the query:

1 modified: Initiator methionine, Removed
3 modified: Glycyl lysine isopeptide (Lys-Gly) (interchain with G-Cter in ubiquitin)

7yjjC Human cytosolic 10-formyltetrahydrofolate dehydrogenase and gossypol complex (see paper)
39% identity, 97% coverage: 10:476/481 of query aligns to 21:493/498 of 7yjjC

query
sites
7yjjC

Y

F

I

I

N

G

G

G

E

E

W

F

V

V

-

D

-

A

S

E

G

G

A

A

D

K

Y

T

S

S

A

E

N

T

I

I

N

N

P

P

S

T

E

D

L

-

T

G

D

S

T

V

I

I

G

C

D

Q

Y

V

A

S

K

L

A

A

D

Q

L

V

A

T

Q

D

V

V

H

D

A

K

A

A

I

V

D

A

A

A

A

A

R

K

A

D

A

A

F

F

P

E

A

N

-

G

-

R

W

W

S
x
G

T
x
K

S
x
I

G

S

I

A

Q

R

A

D

R
|
R

H

G

D

R

S

L

L

M

D

Y

K

R

V

L

G

A

T

D

E

L

I

M

L

E

A

Q

R

H

R

Q

E

E

E

E

L

L

G

A

T

T

L

I

L

E

A

A

R

L

E

D

E

A

G

G

K

A

T

V

L

Y

P

T

E

L

A

A

I

L

G

K

-

T

E

H

V

V

T

G

R

M

A

S

G

I

N

Q

I

T

F

F

K

R

F

Y

F

F

A

A

G

G

E

W

C

C

L

D

R

K

L

I

S

Q

G

G

D

S

Y

T

L

I

P

P

-

I

-

N

S

Q

V

A

R

R

P

P

G

N

V

R

N

N

V

L

E

T

V

L

T

T

R
|
R

-

K

E
|
E

A

P

L

V

G

G

V

V

V

C

G

G

L

I

I

I

T

I

P

P

W

W

N

N

F

Y

P

P

I

L

A

M

I

M

P

L

A

S

W

W

K

K

I

T

A

A

P

A

A

C

L

L

A

A

Y

A

G

G

N

N

C

T

V

V

V

V

L

I

K

K

P

P

A

A

D

Q

L

V

V

T

P

P

G

L

C

T

A

A

W

L

A

K

L

F

A

A

E

E

I

L

I

T

S

L

R

K

A

A

G

G

F

I

P

P

A

K

G

G

V

V

F

V

N

N

L

V

V

L

M

P

G

G

S

S

G

G

R

S

V

L

V

V

G

G

D

Q

A

R

L

L

V

S

Q

D

S

H

P

P

K

D

V

V

D

R

G

K

I

I

S

G

F

F

T

T

G

G

S

S

V

T

G

E

V

V

G

G

R

K

Q

H

I

I

A

M

V

K

S

S

C

C

-

A

V

I

S

S

R

N

Q

V

A

K

K

K

V

V

Q

S

L

L

E

E

M

L

G

G

G

G

K

K

N

S

P

P

Q

L

I

I

I

I

L

F

D

A

D

D

A

C

D

D

L

L

K

N

Q

K

A

A

V

V

E

Q

L

M

S

G

V

M

Q

S

S

S

A

V

F

F

Y

F

S

N

T

K

G

G

Q

E

R

N

C

C

T

I

A

A

S

A

S

G

R

R

F

L

I

F

V

V

T

E

A

D

G

S

I

I

H

H

D

D

K

E

F

F

V

V

E

R

A

R

M

V

A

V

E

E

R

E

M

V

K

R

S

K

I

M

K

K

V

V

G

G

H

N

A

P

L

L

K

D

T

R

G

D

T

T

D

D

I

H

G

G

P

P

V

Q

V

N

S

H

Q

H

A

A

Q

H

L

L

E

V

Q

K

D

L

L

M

K

E

Y

Y

I

C

D

Q

I

H

G

G

Q

V

S

K

E

E

G

G

A

A

R

T

L

L

V

V

S

C

G

G

G

G

G

N

L

Q

V

V

A

P

C

-

D

-

T

R

E

P

G

G

Y

F

F

F

L

F

A

E

P

P

T

T

L

V

F

F

A

T

D

D

S

V

T

E

A

D

A

H

M

M

R

F

I

I

S

A

R

K

E

E

E

E

I

S

F

F

G

G

P

P

V

V

A

M

N

I

I

I

V

S

R

R

V

F

A

A

-

D

-

G

D

D

Y

L

E

D

A

A

A

V

L

L

A

S

M

R

A

A

N

N

D

A

T

T

E

E

F

F

G

G

L

L

S

A

A

S

G

G

I

V

A

F

T

T

T

R

S

D

L

I

K

N

Y

K

A

A

N

L

H

Y

F

V

K

S

R

D

H

K

S

L

Q

Q

A

A

G

G

M

T

V

V

M

F

V

V

N

N

L

T

P

Y

T

N

A

K

G

-

V

T

D

D

Y

V

H

A

V

A

P

P

F

F

G

G

G

G

R

F

K

K

G

Q

S

S

S

G

Y

F

G

G

S

-

R

K

E

D

Q

L

G

G

R

E

Y

A

A

A

Q

L

E

N

F

E

Y

Y

T

L

V

R

V

V

K
|
K

T

T

binding Gossypol: G74 (≠ S60), K75 (≠ T61), I76 (≠ S62), R81 (= R67), R156 (= R139), E158 (= E140), K492 (= K475)

4pz2B Structure of zm aldh2-6 (rf2f) in complex with NAD (see paper)
40% identity, 97% coverage: 10:476/481 of query aligns to 14:483/494 of 4pz2B

query
sites
4pz2B

Y

F

I

I

N

N

G

G

E

S

W

F

V

V

S

D

G

A

A

V

D

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-

G

Y

R

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A

F

N

D

I

T

N

R

P

D

S

P

E

R

L

T

T

G

D

G

T

V

I

I

G

A

D

S

Y

V

A

A

K

E

A

A

D

D

L

K

A

E

Q

D

V

V

H

D

A

L

A

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V

D

R

A

A

A

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R

A

A

A

A

F

F

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D

-

H

-

G

A

E

W

W

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M

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S

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H

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L

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L

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L

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H

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L

L

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A

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A

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K

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N

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W

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|
N

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P

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M

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A

A

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V

K

K

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P

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A

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L

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Y

A

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G

N

C

C

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K

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G

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G

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A

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N

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Y

G

G

L

L

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G

A

A

G

G

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V

A

V

T

T

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D

L

L

K

D

Y

V

A

A

N

N

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F

V

K

V

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H

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S

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A

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G

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V

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W

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N

N

L

C

P

Y

T

F

A

A

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-

V

M

D

G

Y

S

H

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V

C

P

P

F

F

G

G

G

G

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R

K

K

G

M

S

S

S

G

Y

F

G

G

S

-

R

K

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x
D

Q

E

G

G

R

M

Y

H

A

A

Q

L

E

D

F

K

Y

Y

T

L

V

A

V

V

K

K

T

S

active site: N159 (= N152), K182 (= K175), E258 (= E250), C292 (= C284), E392 (= E383), D469 (≠ E462)
binding nicotinamide-adenine-dinucleotide: I155 (= I148), I156 (≠ T149), P157 (= P150), W158 (= W151), N159 (= N152), M164 (≠ I157), K182 (= K175), A184 (= A177), E185 (≠ D178), G215 (= G208), G219 (= G212), F233 (= F226), T234 (= T227), G235 (= G228), S236 (= S229), V239 (= V232), E258 (= E250), L259 (≠ M251), C292 (= C284), E392 (= E383), F394 (= F385)

O75891 Cytosolic 10-formyltetrahydrofolate dehydrogenase; 10-FTHFDH; FDH; Aldehyde dehydrogenase family 1 member L1; EC 1.5.1.6 from Homo sapiens (Human) (see 2 papers)
39% identity, 97% coverage: 10:476/481 of query aligns to 425:897/902 of O75891

query
sites
O75891

Y

F

I

I

N

G

G

G

E

E

W

F

V

V

-

D

-

A

S

E

G

G

A

A

D

K

Y

T

S

S

A

E

N

T

I

I

N

N

P

P

S

T

E

D

L

-

T

G

D

S

T

V

I

I

G

C

D

Q

Y

V

A

S

K

L

A

A

D

Q

L

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A

T

Q

D

V

V

H

D

A

K

A

A

I

V

D

A

A

A

A

A

R

K

A

D

A

A

F

F

P

E

A

N

-

G

-

R

W

W

S

G

T

K

S

I

G

S

I

A

Q

R

A

D

R

R

H

G

D

R

S

L

L

M

D

Y

K

R

V

L

G

A

T

D

E

L

I

M

L

E

A

Q

R

H

R

Q

E

E

E

E

L

L

G

A

T

T

L

I

L

E

A

A

R

L

E

D

E
x
A

G

G

K

A

T

V

L

Y

P

T

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L

A

A

I

L

G

K

-

T

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H

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R

M

A

S

G

I

N

Q

I

T

F

F

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F

Y

F

F

A

A

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G

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W

C

C

L

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K

L

I

S

Q

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G

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S

Y

T

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I

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P

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I

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N

S

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A

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P

G

N

V

R

N

N

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L

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V

L

T

T

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R

-

K

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E

A

P

L

V

G

G

V

V

V

C

G

G

L

I

I

I

T

I

P

P

W

W

N

N

F

Y

P

P

I

L

A

M

I

M

P

L

A

S

W

W

K

K

I

T

A

A

P

A

A

C

L

L

A

A

Y

A

G

G

N

N

C

T

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V

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L

I

K

K

P

P

A

A

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Q

L

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T

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L

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A

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E

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K

A

A

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A

K

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N

L

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A

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K

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A

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D

D

I

H

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P

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Q

V

N

S

H

Q

H

A

A

Q

H

L

L

E

V

Q

K

D

L

L

M

K

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Y

Y

I

C

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I

H

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S

K

E

E

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G

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L

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N

L

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C

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D

-

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E

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Y

F

F

F

L

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A

E

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T

L

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F

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T

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A

R

K

E

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P

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A

M

N

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F

A

A

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D

-

G

D

D

Y

L

E

D

A

A

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L

L

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R

A

A

N

N

D

A

T

T

E

E

F

F

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G

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L

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A

A

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A

F

T

T

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D

L

I

K

N

Y

K

A

A

N

L

H

Y

F

V

K

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R

D

H

K

S

L

Q

Q

A

A

G

G

M

T

V

V

M

F

V

V

N

N

L

T

P

Y

T

N

A

K

G

-

V

T

D

D

Y

V

H

A

V

A

P

P

F

F

G

G

G

G

R

F

K

K

G

Q

S

S

S

G

Y

F

G

G

S

-

R

K

E

D

Q

L

G

G

R

E

Y

A

A

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Q

L

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N

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E

Y

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L

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K

K

T

T

A511 (≠ E93) to V: in a colorectal cancer sample; somatic mutation; dbSNP:rs768309358

Sites not aligning to the query:

354 modified: O-(pantetheine 4'-phosphoryl)serine; S→A: Loss of phosphopantetheinylation by AASDHPPT. Loss of formyltetrahydrofolate dehydrogenase activity.

4fr8C Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
39% identity, 97% coverage: 10:476/481 of query aligns to 19:486/496 of 4fr8C

query
sites
4fr8C

Y

F

I

I

N

N

G

N

E

E

W

W

V

H

S

D

G

A

A

V

D

S

Y

R

S

K

A

T

-

F

-

P

N

T

I

V

N

N

P

P

S

S

E

-

L

T

T

G

D

E

T

V

I

I

G

C

D

Q

Y

V

A

A

K

E

A

G

D

D

L

K

A

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D

V

V

H

D

A

K

A

A

I

V

D

K

A

A

A

A

R

R

A

A

A

A

F

F

-

Q

-

L

-

G

P

S

A

P

W

W

S

R

T

R

S

M

G

D

I

A

Q

S

A

H

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R

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S

L

L

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N

K

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L

G

A

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E

L

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I

L

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A

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R

D

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Y

L

L

G

A

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A

L

L

L

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A

T

R

L

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D

E

N

G

G

K

K

T

-

L

-

P

P

E

Y

A

V

I

I

G

S

E

Y

V

L

T

V

R

D

A

L

G

D

N

M

I

V

F

L

K

K

-

C

-

L

-

R

F

Y

F

Y

A

A

G

G

E

W

C

A

L

D

R

K

L

Y

S

H

G

G

D

K

Y

T

L

I

P

P

S

I

V

-

R

-

P

D

G

G

V

D

N

F

V

F

E

S

V

Y

T

T

R

R

-

H

E

E

A

P

L

V

G

G

V

V

V

C

G

G

L

Q

I
|
I

T
x
I

P

P

W
|
W

N
|
N

F

F

P

P

I

L

A

L

I

M

P

Q

A

A

W

W

K

K

I

L

A

G

P

P

A

A

L

L

A

A

Y

T

G

G

N

N

C

V

V

V

V

V

L

M

K
|
K

P

V

A

A

D

E

L

Q

V

T

P

P

G

L

C

T

A

A

W

L

A

Y

L

V

A

A

E

N

I

L

I

I

S

K

R

E

A

A

G

G

F

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

S

F

G
|
G

R

P

V

T

V

A

G
|
G

D
x
A

A

A

L

I

V

A

Q

S

S

H

P

E

K

D

V

V

D

D

G

K

I

V

S

A

F
|
F

T

T

G
|
G

S
|
S

V

T

G

E

V
x
I

G

G

R

R

Q

V

I

I

A

Q

V

V

S

A

C

A

V

G

S

S

R

S

Q

N

A

L

K

K

-

R

V

V

Q

T

L

L

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x
Q

M

L

G

G

G

G

K

K

N

S

P

P

Q

N

I

I

I

I

L

M

D

S

D

D

A

A

D

D

L

M

K

D

Q

W

A

A

V

V

E

E

L

Q

S

A

V

H

Q

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S

A

A

L

F

F

Y

F

S

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T

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G

G

Q

Q

R

S

C
|
C

T

S

A

A

S

G

S

S

R

R

F

T

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V

T

Q

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G

D

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I

H

Y

D

D

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E

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F

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V

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A

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M

S

A

V

E

A

R

R

M

A

K

K

S

S

I

R

K

V

V

V

G

G

H

N

A

P

L

F

K

D

T

S

G

K

T

T

D

E

I

Q

G

G

P

P

V

Q

V

V

S

D

Q

E

A

T

Q
|
Q

L

F

E

K

Q

K

D

I

L

L

K

G

Y

Y

I

I

D

N

I

T

G

G

Q

K

S

Q

E

E

G

G

A

A

R

K

L

L

V

L

S

C

G

G

G

G

G

G

L

I

V

A

A

A

C

-

D

-

T

D

E

R

G

G

Y

Y

F

F

L

I

A

Q

P

P

T

T

L

V

F

F

A

G

D

D

S

V

T

Q

A

D

A

G

M

M

R

T

I

I

S

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

A

M

N

Q

I

I

V

L

R

K

V

F

A

K

D

T

Y

I

E

E

A

E

A

V

L

V

A

G

M

R

A

A

N

N

D

N

T

S

E

T

F

Y

G

G

L

L

S

A

A

A

G

A

I

V

A

F

T

T

T

K

S

D

L

L

K

D

Y

K

A

A

N

N

H

Y

F

L

K

S

R

Q

H

A

S

L

Q

Q

A

A

G

G

M

T

V

V

M

W

V

V

N

N

L

C

P

-

T

-

A

-

G

-

V

-

D

-

Y

Y

H

D

V

V

-

F

-

G

-

A

-

Q

-

S

P

P

F

F

G

G

G

G

R

Y

K

K

G

M

S

S

S

G

Y

S

G

G

S

-

R

R

E
|
E

Q

L

G

G

R

E

Y

Y

A

G

Q

L

E

Q

F

A

Y

Y

T

T

V

E

V

V

K

K

T

T

active site: N165 (= N152), K188 (= K175), Q264 (≠ E250), C298 (= C284), E395 (= E383), E472 (= E462)
binding nicotinamide-adenine-dinucleotide: I161 (= I148), I162 (≠ T149), W164 (= W151), K188 (= K175), G221 (= G208), G225 (= G212), A226 (≠ D213), F239 (= F226), G241 (= G228), S242 (= S229), I245 (≠ V232), Q345 (= Q331), E395 (= E383), F397 (= F385)

4fr8A Crystal structure of human aldehyde dehydrogenase-2 in complex with nitroglycerin (see paper)
39% identity, 97% coverage: 10:476/481 of query aligns to 16:483/493 of 4fr8A

query
sites
4fr8A

Y

F

I

I

N

N

G

N

E

E

W

W

V

H

S

D

G

A

A

V

D

S

Y

R

S

K

A

T

-

F

-

P

N

T

I

V

N

N

P

P

S

S

E

-

L

T

T

G

D

E

T

V

I

I

G

C

D

Q

Y

V

A

A

K

E

A

G

D

D

L

K

A

E

Q

D

V

V

H

D

A

K

A

A

I

V

D

K

A

A

A

A

R

R

A

A

A

A

F

F

-

Q

-

L

-

G

P

S

A

P

W

W

S

R

T

R

S

M

G

D

I

A

Q

S

A

H

R

R

H

G

D

R

S

L

L

L

D

N

K

R

V

L

G

A

T

D

E

L

I

I

L

E

A

R

R

D

R

R

E

T

E

Y

L

L

G

A

T

A

L

L

L

E

A

T

R

L

E

D

E

N

G

G

K

K

T

-

L

-

P

P

E

Y

A

V

I

I

G

S

E

Y

V

L

T

V

R

D

A

L

G

D

N

M

I

V

F

L

K

K

-

C

-

L

-

R

F

Y

F

Y

A

A

G

G

E

W

C

A

L

D

R

K

L

Y

S

H

G

G

D

K

Y

T

L

I

P

P

S

I

V

-

R

-

P

D

G

G

V

D

N

F

V

F

E

S

V

Y

T

T

R

R

-

H

E

E

A

P

L

V

G

G

V

V

V

C

G

G

L

Q

I
|
I

T
x
I

P

P

W
|
W

N
|
N

F
|
F

P

P

I

L

A
x
L

I

M

P

Q

A

A

W
|
W

K

K

I

L

A

G

P

P

A

A

L

L

A

A

Y

T

G

G

N

N

C

V

V

V

V

V

L

M

K
|
K

P

V

A

A

D

E

L

Q

V

T

P

P

G

L

C

T

A

A

W

L

A

Y

L

V

A

A

E

N

I

L

I

I

S

K

R

E

A

A

G

G

F

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

S

F

G
|
G

R

P

V

T

V

A

G
|
G

D
x
A

A

A

L

I

V

A

Q

S

S

H

P

E

K

D

V

V

D

D

G

K

I

V

S

A

F
|
F

T

T

G
|
G

S
|
S

V

T

G

E

V
x
I

G

G

R

R

Q

V

I

I

A

Q

V

V

S

A

C

A

V

G

S

S

R

S

Q

N

A

L

K

K

-

R

V

V

Q

T

L

L

E
x
Q

M

L

G

G

G

G

K

K

N

S

P

P

Q

N

I

I

I

I

L

M

D

S

D

D

A

A

D

D

L

M

K

D

Q

W

A

A

V

V

E

E

L

Q

S

A

V

H

Q

F

S

A

A

L

F

F

Y
x
F

S

N

T

Q

G

G

Q

Q

R
x
S

C
|
C

T

S

A

A

S

G

S

S

R

R

F

T

I

F

V

V

T

Q

A

E

G

D

I

I

H

Y

D

D

K

E

F

F

V

V

E

E

A

R

M

S

A

V

E

A

R

R

M

A

K

K

S

S

I

R

K

V

V

V

G

G

H

N

A

P

L

F

K

D

T

S

G

K

T

T

D

E

I

Q

G

G

P

P

V

Q

V

V

S

D

Q

E

A

T

Q
|
Q

L

F

E

K

Q
x
K

D

I

L

L

K

G

Y

Y

I

I

D

N

I

T

G

G

Q

K

S

Q

E

E

G

G

A

A

R

K

L

L

V

L

S

C

G

G

G

G

G

G

L

I

V

A

A

A

C

-

D

-

T

D

E

R

G

G

Y

Y

F

F

L

I

A

Q

P

P

T

T

L

V

F

F

A

G

D

D

S

V

T

Q

A

D

A

G

M

M

R

T

I

I

S

A

R

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

A

M

N

Q

I

I

V

L

R

K

V

F

A

K

D

T

Y

I

E

E

A

E

A

V

L

V

A

G

M

R

A

A

N

N

D

N

T

S

E

T

F

Y

G

G

L

L

S

A

A

A

G

A

I

V

A

F

T

T

T

K

S

D

L

L

K

D

Y

K

A

A

N

N

H

Y

F

L

K

S

R

Q

H

A

S

L

Q

Q

A

A

G

G

M

T

V

V

M

W

V

V

N

N

L

C

P

-

T

-

A

-

G

-

V

-

D

-

Y

Y

H
x
D

V

V

-
x
F

-

G

-

A

-

Q

-

S

P

P

F

F

G

G

G

G

R

Y

K

K

G

M

S

S

S

G

Y

S

G

G

S

-

R

R

E
|
E

Q

L

G

G

R

E

Y

Y

A

G

Q

L

E

Q

F

A

Y

Y

T

T

V

E

V

V

K

K

T

T

active site: N162 (= N152), K185 (= K175), Q261 (≠ E250), C295 (= C284), E392 (= E383), E469 (= E462)
binding nicotinamide-adenine-dinucleotide: I158 (= I148), I159 (≠ T149), W161 (= W151), K185 (= K175), G218 (= G208), G222 (= G212), A223 (≠ D213), F236 (= F226), G238 (= G228), S239 (= S229), I242 (≠ V232), Q342 (= Q331), K345 (≠ Q334), E392 (= E383), F394 (= F385)
binding propane-1,2,3-triyl trinitrate: F163 (= F153), L166 (≠ A156), W170 (= W160), F289 (≠ Y278), S294 (≠ R283), C295 (= C284), D450 (≠ H447), F452 (vs. gap)

5l13A Structure of aldh2 in complex with 2p3 (see paper)
39% identity, 97% coverage: 10:476/481 of query aligns to 17:484/494 of 5l13A

query
sites
5l13A

Y

F

I

I

N

N

G

N

E

E

W

W

V

H

S

D

G

A

A

V

D

S

Y

R

S

K

A

T

-

F

-

P

N

T

I

V

N

N

P

P

S

S

E

-

L

T

T

G

D

E

T

V

I

I

G

C

D

Q

Y

V

A

A

K

E

A

G

D

D

L

K

A

E

Q

D

V

V

H

D

A

K

A

A

I

V

D

K

A

A

A

A

R

R

A

A

A

A

F

F

-

Q

-

L

-

G

P

S

A

P

W

W

S

R

T

R

S

M

G

D

I

A

Q

S

A

H

R

R

H

G

D

R

S

L

L

L

D

N

K

R

V

L

G

A

T

D

E

L

I

I

L

E

A

R

R

D

R

R

E

T

E

Y

L

L

G

A

T

A

L

L

L

E

A

T

R

L

E

D

E

N

G

G

K

K

T

-

L

-

P

P

E

Y

A

V

I

I

G

S

E

Y

V

L

T

V

R

D

A

L

G

D

N

M

I

V

F

L

K

K

-

C

-

L

-

R

F

Y

F

Y

A

A

G

G

E

W

C

A

L

D

R

K

L

Y

S

H

G

G

D

K

Y

T

L

I

P

P

S

I

V

-

R

-

P

D

G

G

V

D

N

F

V

F

E

S

V

Y

T

T

R

R

-

H

E

E

A

P

L

V

G

G

V

V

V

C

G

G

L

Q

I

I

T

I

P

P

W

W

N
|
N

F
|
F

P

P

I

L

A

L

I
x
M

P

Q

A

A

W
|
W

K

K

I

L

A

G

P

P

A

A

L

L

A

A

Y

T

G

G

N

N

C

V

V

V

V

V

L

M

K
|
K

P

V

A

A

D

E

L

Q

V

T

P

P

G

L

C

T

A

A

W

L

A

Y

L

V

A

A

E

N

I

L

I

I

S

K

R

E

A

A

G

G

F

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

S

F

G

G

R

P

V

T

V

A

G

G

D

A

A

A

L

I

V

A

Q

S

S

H

P

E

K

D

V

V

D

D

G

K

I

V

S

A

F

F

T

T

G

G

S

S

V

T

G

E

V

I

G

G

R

R

Q

V

I

I

A

Q

V

V

S

A

C

A

V

G

S

S

R

S

Q

N

A

L

K

K

-

R

V

V

Q

T

L

L

E
|
E

M

L

G

G

G

G

K

K

N

S

P

P

Q

N

I

I

I

I

L

M

D

S

D

D

A

A

D

D

L

M

K

D

Q

W

A

A

V

V

E

E

L

Q

S

A

V

H

Q

F

S

A

A

L

F

F

Y
x
F

S

N

T

Q

G

G

Q

Q

R
x
C

C
|
C

T
x
C

A

A

S

G

S

S

R

R

F

T

I

F

V

V

T

Q

A

E

G

D

I

I

H

Y

D

D

K

E

F

F

V

V

E

E

A

R

M

S

A

V

E

A

R

R

M

A

K

K

S

S

I

R

K

V

V

V

G

G

H

N

A

P

L

F

K

D

T

S

G

K

T

T

D

E

I

Q

G

G

P

P

V

Q

V

V

S

D

Q

E

A

T

Q

Q

L

F

E

K

Q

K

D

I

L

L

K

G

Y

Y

I

I

D

N

I

T

G

G

Q

K

S

Q

E

E

G

G

A

A

R

K

L

L

V

L

S

C

G

G

G

G

G

G

L

I

V

A

A

A

C

-

D

-

T

D

E

R

G

G

Y

Y

F

F

L

I

A

Q

P

P

T

T

L

V

F

F

A

G

D

D

S

V

T

Q

A

D

A

G

M

M

R

T

I

I

S

A

R

K

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

A

M

N

Q

I

I

V

L

R

K

V

F

A

K

D

T

Y

I

E

E

A

E

A

V

L

V

A

G

M

R

A

A

N

N

D

N

T

S

E

T

F

Y

G

G

L

L

S

A

A

A

G

A

I

V

A

F

T

T

T

K

S

D

L

L

K

D

Y

K

A

A

N

N

H

Y

F

L

K

S

R

Q

H

A

S

L

Q

Q

A

A

G

G

M

T

V

V

M

W

V

V

N

N

L

C

P

-

T

-

A

-

G

-

V

-

D

-

Y

Y

H
x
D

V

V

-
x
F

-

G

-

A

-

Q

-

S

P

P

F

F

G

G

G

G

R

Y

K

K

G

M

S

S

S

G

Y

S

G

G

S

-

R

R

E
|
E

Q

L

G

G

R

E

Y

Y

A

G

Q

L

E

Q

F

A

Y

Y

T

T

V

E

V

V

K

K

T

T

active site: N163 (= N152), K186 (= K175), E262 (= E250), C296 (= C284), E393 (= E383), E470 (= E462)
binding 2,3,5-trimethyl-6-propyl-7H-furo[3,2-g][1]benzopyran-7-one: F164 (= F153), M168 (≠ I157), W171 (= W160), F290 (≠ Y278), C295 (≠ R283), C296 (= C284), C297 (≠ T285), D451 (≠ H447), F453 (vs. gap)

4kwgA Crystal structure analysis of aldh2+aldib13 (see paper)
39% identity, 97% coverage: 10:476/481 of query aligns to 17:484/494 of 4kwgA

query
sites
4kwgA

Y

F

I

I

N

N

G

N

E

E

W

W

V

H

S

D

G

A

A

V

D

S

Y

R

S

K

A

T

-

F

-

P

N

T

I

V

N

N

P

P

S

S

E

-

L

T

T

G

D

E

T

V

I

I

G

C

D

Q

Y

V

A

A

K

E

A

G

D

D

L

K

A

E

Q

D

V

V

H

D

A

K

A

A

I

V

D

K

A

A

A

A

R

R

A

A

A

A

F

F

-

Q

-

L

-

G

P

S

A

P

W

W

S

R

T

R

S

M

G

D

I

A

Q

S

A

H

R

R

H

G

D

R

S

L

L

L

D

N

K

R

V

L

G

A

T

D

E

L

I

I

L

E

A

R

R

D

R

R

E

T

E

Y

L

L

G

A

T

A

L

L

L

E

A

T

R

L

E

D

E

N

G

G

K

K

T

-

L

-

P

P

E

Y

A

V

I

I

G

S

E

Y

V

L

T

V

R

D

A

L

G

D

N

M

I

V

F

L

K

K

-

C

-

L

-

R

F

Y

F

Y

A

A

G

G

E

W

C

A

L

D

R

K

L

Y

S

H

G

G

D

K

Y

T

L

I

P

P

S

I

V

-

R

-

P

D

G

G

V

D

N

F

V

F

E

S

V

Y

T

T

R

R

-

H

E

E

A

P

L

V

G

G

V

V

V

C

G

G

L

Q

I

I

T

I

P

P

W

W

N
|
N

F
|
F

P

P

I

L

A

L

I
x
M

P

Q

A

A

W

W

K

K

I

L

A

G

P

P

A

A

L

L

A

A

Y

T

G

G

N

N

C

V

V

V

V

V

L

M

K
|
K

P

V

A

A

D

E

L

Q

V

T

P

P

G

L

C

T

A

A

W

L

A

Y

L

V

A

A

E

N

I

L

I

I

S

K

R

E

A

A

G

G

F

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

S

F

G

G

R

P

V

T

V

A

G

G

D

A

A

A

L

I

V

A

Q

S

S

H

P

E

K

D

V

V

D

D

G

K

I

V

S

A

F

F

T

T

G

G

S

S

V

T

G

E

V

I

G

G

R

R

Q

V

I

I

A

Q

V

V

S

A

C

A

V

G

S

S

R

S

Q

N

A

L

K

K

-

R

V

V

Q

T

L

L

E
|
E

M

L

G

G

G

G

K

K

N

S

P

P

Q

N

I

I

I

I

L

M

D

S

D

D

A

A

D

D

L

M

K

D

Q

W

A

A

V

V

E

E

L

Q

S

A

V

H

Q

F

S

A

A

L

F

F

Y

F

S

N

T

Q

G

G

Q

Q

R
x
C

C
|
C

T
x
C

A

A

S

G

S

S

R

R

F

T

I

F

V

V

T

Q

A

E

G

D

I

I

H

Y

D

D

K

E

F

F

V

V

E

E

A

R

M

S

A

V

E

A

R

R

M

A

K

K

S

S

I

R

K

V

V

V

G

G

H

N

A

P

L

F

K

D

T

S

G

K

T

T

D

E

I

Q

G

G

P

P

V

Q

V

V

S

D

Q

E

A

T

Q

Q

L

F

E

K

Q

K

D

I

L

L

K

G

Y

Y

I

I

D

N

I

T

G

G

Q

K

S

Q

E

E

G

G

A

A

R

K

L

L

V

L

S

C

G

G

G

G

G

G

L

I

V

A

A

A

C

-

D

-

T

D

E

R

G

G

Y

Y

F

F

L

I

A

Q

P

P

T

T

L

V

F

F

A

G

D

D

S

V

T

Q

A

D

A

G

M

M

R

T

I

I

S

A

R

K

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

A

M

N

Q

I

I

V

L

R

K

V

F

A

K

D

T

Y

I

E

E

A

E

A

V

L

V

A

G

M

R

A

A

N

N

D

N

T

S

E

T

F

Y

G

G

L

L

S

A

A

A

G

A

I

V

A

F

T

T

T

K

S

D

L

L

K

D

Y

K

A

A

N

N

H

Y

F

L

K

S

R

Q

H

A

S

L

Q

Q

A

A

G

G

M

T

V

V

M

W

V

V

N

N

L

C

P

-

T

-

A

-

G

-

V

-

D

-

Y

Y

H
x
D

V

V

-
x
F

-

G

-

A

-

Q

-

S

P

P

F

F

G

G

G

G

R

Y

K

K

G

M

S

S

S

G

Y

S

G

G

S

-

R

R

E
|
E

Q

L

G

G

R

E

Y

Y

A

G

Q

L

E

Q

F

A

Y

Y

T

T

V

E

V

V

K

K

T

T

active site: N163 (= N152), K186 (= K175), E262 (= E250), C296 (= C284), E393 (= E383), E470 (= E462)
binding 7-bromo-5-methyl-1H-indole-2,3-dione: F164 (= F153), M168 (≠ I157), C295 (≠ R283), C296 (= C284), C297 (≠ T285), D451 (≠ H447), F453 (vs. gap)

4kwfA Crystal structure analysis of aldh2+aldib33 (see paper)
39% identity, 97% coverage: 10:476/481 of query aligns to 17:484/494 of 4kwfA

query
sites
4kwfA

Y

F

I

I

N

N

G

N

E

E

W

W

V

H

S

D

G

A

A

V

D

S

Y

R

S

K

A

T

-

F

-

P

N

T

I

V

N

N

P

P

S

S

E

-

L

T

T

G

D

E

T

V

I

I

G

C

D

Q

Y

V

A

A

K

E

A

G

D

D

L

K

A

E

Q

D

V

V

H

D

A

K

A

A

I

V

D

K

A

A

A

A

R

R

A

A

A

A

F

F

-

Q

-

L

-

G

P

S

A

P

W

W

S

R

T

R

S

M

G

D

I

A

Q

S

A

H

R

R

H

G

D

R

S

L

L

L

D

N

K

R

V

L

G

A

T

D

E

L

I

I

L

E

A

R

R

D

R

R

E

T

E

Y

L

L

G

A

T

A

L

L

L

E

A

T

R

L

E

D

E

N

G

G

K

K

T

-

L

-

P

P

E

Y

A

V

I

I

G

S

E

Y

V

L

T

V

R

D

A

L

G

D

N

M

I

V

F

L

K

K

-

C

-

L

-

R

F

Y

F

Y

A

A

G

G

E

W

C

A

L

D

R

K

L

Y

S

H

G

G

D

K

Y

T

L

I

P

P

S

I

V

-

R

-

P

D

G

G

V

D

N

F

V

F

E

S

V

Y

T

T

R

R

-

H

E

E

A

P

L

V

G

G

V

V

V

C

G

G

L

Q

I

I

T

I

P

P

W

W

N
|
N

F
|
F

P

P

I

L

A

L

I
x
M

P

Q

A

A

W
|
W

K

K

I

L

A

G

P

P

A

A

L

L

A

A

Y

T

G

G

N

N

C

V

V

V

V

V

L

M

K
|
K

P

V

A

A

D

E

L

Q

V

T

P

P

G

L

C

T

A

A

W

L

A

Y

L

V

A

A

E

N

I

L

I

I

S

K

R

E

A

A

G

G

F

F

P

P

A

P

G

G

V

V

F

V

N

N

L

I

V

V

M

P

G

G

S

F

G

G

R

P

V

T

V

A

G

G

D

A

A

A

L

I

V

A

Q

S

S

H

P

E

K

D

V

V

D

D

G

K

I

V

S

A

F

F

T

T

G

G

S

S

V

T

G

E

V

I

G

G

R

R

Q

V

I

I

A

Q

V

V

S

A

C

A

V

G

S

S

R

S

Q

N

A

L

K

K

-

R

V

V

Q

T

L

L

E
|
E

M

L

G

G

G

G

K

K

N

S

P

P

Q

N

I

I

I

I

L

M

D

S

D

D

A

A

D

D

L

M

K

D

Q

W

A

A

V

V

E

E

L

Q

S

A

V

H

Q

F

S

A

A

L

F

F

Y

F

S

N

T

Q

G

G

Q

Q

R
x
C

C
|
C

T
x
C

A

A

S

G

S

S

R

R

F

T

I

F

V

V

T

Q

A

E

G

D

I

I

H

Y

D

D

K

E

F

F

V

V

E

E

A

R

M

S

A

V

E

A

R

R

M

A

K

K

S

S

I

R

K

V

V

V

G

G

H

N

A

P

L

F

K

D

T

S

G

K

T

T

D

E

I

Q

G

G

P

P

V

Q

V

V

S

D

Q

E

A

T

Q

Q

L

F

E

K

Q

K

D

I

L

L

K

G

Y

Y

I

I

D

N

I

T

G

G

Q

K

S

Q

E

E

G

G

A

A

R

K

L

L

V

L

S

C

G

G

G

G

G

G

L

I

V

A

A

A

C

-

D

-

T

D

E

R

G

G

Y

Y

F

F

L

I

A

Q

P

P

T

T

L

V

F

F

A

G

D

D

S

V

T

Q

A

D

A

G

M

M

R

T

I

I

S

A

R

K

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

A

M

N

Q

I

I

V

L

R

K

V

F

A

K

D

T

Y

I

E

E

A

E

A

V

L

V

A

G

M

R

A

A

N

N

D

N

T

S

E

T

F

Y

G

G

L

L

S

A

A

A

G

A

I

V

A

F

T

T

T

K

S

D

L

L

K

D

Y

K

A

A

N

N

H

Y

F

L

K

S

R

Q

H

A

S

L

Q

Q

A

A

G

G

M

T

V

V

M

W

V

V

N

N

L

C

P

-

T

-

A

-

G

-

V

-

D

-

Y

Y

H
x
D

V

V

-
x
F

-

G

-

A

-

Q

-

S

P

P

F
|
F

G

G

G

G

R

Y

K

K

G

M

S

S

S

G

Y

S

G

G

S

-

R

R

E
|
E

Q

L

G

G

R

E

Y

Y

A

G

Q

L

E

Q

F

A

Y

Y

T

T

V

E

V

V

K

K

T

T

active site: N163 (= N152), K186 (= K175), E262 (= E250), C296 (= C284), E393 (= E383), E470 (= E462)
binding 1-benzyl-1H-indole-2,3-dione: F164 (= F153), M168 (≠ I157), W171 (= W160), E262 (= E250), C295 (≠ R283), C296 (= C284), C297 (≠ T285), D451 (≠ H447), F453 (vs. gap), F459 (= F450)

Query Sequence

>Pf1N1B4_1109 FitnessBrowser__pseudo1_N1B4:Pf1N1B4_1109
VADAKRYDNYINGEWVSGADYSANINPSELTDTIGDYAKADLAQVHAAIDAARAAFPAWS
TSGIQARHDSLDKVGTEILARREELGTLLAREEGKTLPEAIGEVTRAGNIFKFFAGECLR
LSGDYLPSVRPGVNVEVTREALGVVGLITPWNFPIAIPAWKIAPALAYGNCVVLKPADLV
PGCAWALAEIISRAGFPAGVFNLVMGSGRVVGDALVQSPKVDGISFTGSVGVGRQIAVSC
VSRQAKVQLEMGGKNPQIILDDADLKQAVELSVQSAFYSTGQRCTASSRFIVTAGIHDKF
VEAMAERMKSIKVGHALKTGTDIGPVVSQAQLEQDLKYIDIGQSEGARLVSGGGLVACDT
EGYFLAPTLFADSTAAMRISREEIFGPVANIVRVADYEAALAMANDTEFGLSAGIATTSL
KYANHFKRHSQAGMVMVNLPTAGVDYHVPFGGRKGSSYGSREQGRYAQEFYTVVKTSYIG
S

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