SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing GFF178 FitnessBrowser__WCS417:GFF178 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)

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)
81% identity, 100% coverage: 1:480/480 of query aligns to 1:482/482 of P25526

query
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P25526

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WN 156:157 (= WN 156:157) binding NADP(+)
KPAS 180:183 (= KPAS 180:183) binding NADP(+)
GS 233:234 (= GS 233:234) binding NADP(+)
L256 (= L256) binding NADP(+)
E386 (= E384) binding NADP(+)

3jz4A Crystal structure of e. Coli NADP dependent enzyme (see paper)
80% identity, 100% coverage: 2:480/480 of query aligns to 1:481/481 of 3jz4A

query
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3jz4A

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active site: N156 (= N157), K179 (= K180), E254 (= E255), C288 (= C289), E385 (= E384), E462 (= E461)
binding nadp nicotinamide-adenine-dinucleotide phosphate: P154 (= P155), W155 (= W156), K179 (= K180), A181 (= A182), S182 (= S183), A212 (= A213), G216 (= G217), G232 (= G233), S233 (= S234), I236 (= I237), C288 (= C289), K338 (= K339), E385 (= E384), F387 (= F386)

8c54A Cryo-em structure of nadh bound sla dehydrogenase rlgabd from rhizobium leguminosarum bv. Trifolii srd1565 (see paper)
63% identity, 99% coverage: 3:479/480 of query aligns to 2:480/482 of 8c54A

query
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8c54A

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T

Q

G

G

P

P

L

L

I

I

D

D

E

E

K

K

A

A

V

V

A

A

K

K

V

M

Q

E

E

E

H

H

I

I

A

A

D

D

A

A

L

M

K

A

K

N

G

G

A

G

T

T

L

V

L

L

A

T

G

G

K

K

-

R

-

S

V

V

M

L

E

G

G

G

N

T

F

F

E

E

P

P

T

T

I

V

L

V

T

T

N

G

V

V

P

T

K

Q

D

T

A

M

A

K

V

V

A

A

K

K

E

E

T

T

F

F

G

A

P

P

L

L

A

A

P

P

L

I

F

I

R

S

F

F

K

K

D

H

E

E

A

N

E

D

V

V

I

I

A

A

M

M

S

A

N

N

D

D

T

S

E

E

F

F

G

G

L

L

A

A

S

S

Y

Y

F

F

Y

Y

A

A

R

K

D

D

L

M

G

A

R

R

V

I

F

W

R

R

V

V

A

A

E

E

A

A

L

L

E

E

Y

A

G

G

M

M

V

V

G

G

V

V

N

N

T

T

G

G

L

M

I

I

S

A

N

N

E

E

V

M

A

A

P

P

F

F

G

G

I

I

K

K

A

Q

S

S

G

G

L

T

G

G

R

R

E

E

G

G

S

S

K

K

Y

Y

G

G

I

I

E

E

D

G

Y

F

L

L

E

E

I

L

K

K

Y

Y

L

V

C

A

L

L

G

G

binding 1,4-dihydronicotinamide adenine dinucleotide: I152 (= I153), T153 (= T154), P154 (= P155), K179 (= K180), A212 (= A213), K213 (≠ G214), F230 (= F231), T231 (= T232), G232 (= G233), S233 (= S234), V236 (≠ I237), W239 (≠ Q240), G256 (= G257)

8of1A Structure of aldh5f1 from moss physcomitrium patens in complex with NAD+ in the contracted conformation
59% identity, 100% coverage: 1:479/480 of query aligns to 18:498/505 of 8of1A

query
sites
8of1A

M

V

Q

Q

L

L

K

N

D

E

A

A

Q

G

L

L

F

F

R

K

Q

S

Q

Q

A

G

F

L

I

I

D

G

G

D

A

K

W

W

V

V

D

D

A

A

D

E

N

N

G

G

Q

H

T

T

L

L

K

P

V

V

N

N

P

P

A

A

T

T

G

G

E

E

I

I

L

L

G

T

T

S

V

V

P

P

K

F

M

M

G

G

A

K

A

R

E

E

T

A

R

E

R

K

A

A

I

I

E

A

A

A

D

S

K

Q

A

A

L

F

P

T

A

S

W

W

R

S

A

K

L

R

T

T

A

A

K

N

E

D

R

R

A

S

N

K

K

I

L

L

R

R

R

Q

W

W

F

F

E

N

L

L

I

I

E

K

N

N

Q

K

D

D

L

L

G

G

R

K

L

L

M

I

T

V

L

L

E

E

Q

Q

G

G

K

K

P

P

L

L

A

A

E

E

A

A

K

V

G

G

E

E

I

I

V

V

Y

Y

A

G

A

A

S

A

F

F

I

V

E

E

W

Y

F

Y

A

A

E

E

A

A

K

K

R

R

I

V

Y

Y

G

G

D

D

V

I

I

I

P

P

G

S

H

P

Q

F

P

P

D

E

K

K

R

R

L

M

I

L

V

V

I

M

K

K

Q

Q

P

P

I

V

G

G

V

V

T

V

A

A

I
|
I

T
x
A

P
|
P

W
|
W

N

N

F

F

P

P

A

L

A

A

M

M

I

I

T

T

R

R

K

K

A

V

G

A

P

P

A

A

L

L

A

A

G

G

C

C

T

T

M

V

V

V

I

I

K
|
K

P

P

A

S

S

E

Q

L

T

T

P

P

F

L

S

T

A

A

L

L

A

A

L

A

V

A

E

E

L

L

A

A

H

L

R

Q

A

A

G

G

I

I

P

P

K

P

G

G

V

V

L

V

S

N

V

V

T

M

G

G

S

D

A
|
A

G

K

D

G

I

I

G

G

G

D

E

A

L

M

T

L

S

D

N

S

P

T

I

E

V

V

R

R

K

K

L

I

S

T

F
|
F

T

T

G
|
G

S
|
S

T

T

E

G

I
x
V

G

G

R

K

Q
x
M

L

L

M

L

A

A

E

G

C

A

A

G

K

K

D

T

I

V

K

K

V

V

S

S

L

L

E

E

L
|
L

G

G

N

N

A

A

P

P

F

C

I

I

V

V

F

F

D

D

A

A

D

N

L

L

D

D

K

V

A

A

V

V

E

K

G

G

A

V

I

L

I

A

S

G

K

K

Y

Y

R

R

N

N

N

S

G

G

Q

Q

T

T

C
|
C

V

V

C

C

A

I

N

N

R

K

L

I

Y

F

I

V

Q

Q

D

D

S

G

V

I

Y

Y

D

D

A

K

F

F

A

A

E

E

K

A

L

F

K

A

V

K

A

A

V

V

A

S

K

G

L

L

K

R

I

A

G

G

N

N

G

G

L

L

E

E

E

P

G

G

T

I

T

T

T

Q

G

G

P

P

L

L

I

I

D

N

E

E

K

T

A

A

V

L

A

E

K
|
K

V

V

Q

E

E

R

H

H

I

V

A

Q

D

D

A

A

L

V

K

S

K

K

G

G

A

A

T

K

L

V

L

L

A

V

G

G

K

K

-

R

-

H

V

S

M

L

E

G

G

R

N

T

F

F

F

Y

E

E

P

P

T

T

I

I

L

L

T

G

N

N

V

A

P

S

K

D

D

E

A

M

A

L

V

I

A

F

K

R

E

E

E
|
E

T

V

F
|
F

G

G

P

P

L

V

A

A

P

P

L

L

F

V

R

R

F

F

K

N

D

T

E

D

A

E

E

E

V

A

I

I

A

K

M

L

S

A

N

N

D

N

T

S

E

E

F

F

G

G

L

L

A

A

S

A

Y

Y

F

A

Y

F

A

T

R

E

D

N

L

I

G

T

R

R

V

G

F

W

R

R

V

V

A

A

E

E

A

S

L

L

E

E

Y

F

G

G

M

M

V

V

G

G

V

L

N

N

T

E

G

G

L

L

I

I

S

S

N

T

E

E

V

V

A

A

P

P

F

F

G

G

I

M

K

K

A

Q

S

S

G

G

L

L

G

G

R

R

E

E

G

G

S

S

K

K

Y

Y

G

G

I

L

E

D

D

E

Y

Y

L

L

E

E

I

M

K

K

Y

Y

L

V

C

C

L

L

G

G

binding nicotinamide-adenine-dinucleotide: I170 (= I153), A171 (≠ T154), P172 (= P155), W173 (= W156), K197 (= K180), A230 (= A213), F248 (= F231), G250 (= G233), S251 (= S234), V254 (≠ I237), M257 (≠ Q240), L273 (= L256), C306 (= C289), K356 (= K339), E403 (= E384), F405 (= F386)

P51649 Succinate-semialdehyde dehydrogenase, mitochondrial; Aldehyde dehydrogenase family 5 member A1; NAD(+)-dependent succinic semialdehyde dehydrogenase; EC 1.2.1.24 from Homo sapiens (Human) (see 5 papers)
56% identity, 99% coverage: 5:479/480 of query aligns to 55:533/535 of P51649

query
sites
P51649

D

S

A

A

Q

A

L

L

F

L

R

R

Q

T

Q

D

A

S

F

F

I

V

D

G

G

G

A

R

W

W

V

L

D

P

A

A

D

-

N

-

G

A

Q

A

T

T

L

F

K

P

V

V

N

Q

N

D

P

P

A

A

T

S

G

G

E

A

I

A

L

L

G

G

T

M

V

V

P

A

K

D

M
x
C

G

G

A

V

A

R

E

E

T

A

R

R

R

A

A

A

I

V

E

R

A

A

D

Y

K

E

A

A

L

F

P

C

A

R

W

W

R

R

A

E

L

V

T

S

A

A

K

K

E

E

R

R

A

S

N

S

K

L

L

L

R

R

R

K

W

W

F

Y

E

N

L

L

L

M

I

I

E

Q

N

N

Q

K

D

D

L

L

G

A

R

R

L

I

M

I

T

T

L

A

E

E

Q

S

G

G

K

K

P

P

L

L

A

K

E

E

A

A

K

H

G

G

E

E

I

I

V

L

Y

Y

A

S

A

A

S

F

F

F

I

L

E

E

W

W

F

F

A

S

E

E

A

A

K

R

R

R

I

V

Y

Y

G
|
G

D

D

V

I

I

I

P
x
H

G

T

H
x
P

Q

A

P

K

D

D

K

R

R

R

L

A

I

L

V

V

I

L

K

K

Q

Q

P

P

I

I

G

G

V

V

T

A

A

A

A

V

I

I

T

T

P

P

W

W

N

N

F

F

P

P

A

S

A

A

M

M

I

I

T

T

R
|
R

K

K

A

V

G

G

P

A

A

A

L

L

A

A

G

G

C
|
C

T

T

M

V

V

V

I

V

K
|
K

P
|
P

A
|
A

S
x
E

Q

D

T
|
T

P

P

F

F

S

S

A
|
A

L

L

A

A

L

L

V

A

E

E

L

L

A

A

H

S

R

Q

A

A

G

G

I

I

P

P

K

S

G

G

V

V

L

Y

S
x
N

V

V

V

I

T

P

G

C

S

S

-

R

-

K

-

N

A

A

G

K

D

E

I

V

G
|
G

G

E

E

A

L

I

T

C

S

T

N

D

P

P

I

L

V

V

R

S

K

K

L

I

S

S

F

F

T

T

G
|
G

S
|
S

T
|
T

E
x
T

I
x
T

G
|
G

R

K

Q

I

L

L

M

L

A

H

E

H

C

A

A

A

K

N

D

S

I

V

K

K

K

R

V

V

S

S

L

M

E

E

L

L

G

G

N

L

A

A

P

P

F

F

I

I

V

V

F

F

D

D

D

S

A

A

D

N

L

V

D

D

K

Q

A

A

V

V

E

A

G

G

A

A

I

M

I

A

S

S

K

K

Y

F

R
|
R

N
|
N

N

T

G

G

Q

Q

T

T

C
|
C

V

V

C
|
C

A

S

N

N

R

Q

L

F

Y

L

I

V

Q

Q

D

R

S

G

V

I

Y

H

D

D

A

A

F

F

A

V

E

K

K

A

L

F

K

A

V

E

A

A

V

M

A

K

K

K

-

N

L

L

K

R

I

V

G

G

N
|
N

G

G

L

F

E

E

G

G

T

T

T

Q

G

G

P
|
P

L

L

I

I

D

N

E

E

K

K

A

A

V

V

A

E

K

K

V

V

Q

E

E

K

H

Q

I

V

A

N

D

D

A

A

L

V

K

S

K

K

G

G

A

A

T

T

L
x
V

L

V

A

T

G
|
G

G

G

K

K

V

R

M

H

E

Q

-

L

-

G

G

K

N

N

F

F

E

E

P

P

T

T

I

L

L

L

T

C

N

N

V

V

P

T

K

Q

D

D

A

M

A

L

V

C

A

T

K

H

E

E

T

T

F

F

G

G

P

P

L

L

A

A

P

P

L

V

F

I

R

K

F

F

K

D

D

T

E

E

A

E

E

E

V

A

I

I

A

A

M

I

S

A

N

N

D

A

T

A

E

D

F

V

G

G

L

L

A

A

S

G

Y

Y

F

F

Y

Y

A

S

R

Q

D

D

L

P

G

A

R

Q

V

I

F

W

R

R

V

V

A

A

E

E

A

Q

L

L

E

E

Y

V

G

G

M

M

V

V

G

G

V

V

N

N

T

E

G

G

L

L

I

I

S
|
S

N

S

E

V

V

E

A

C

P

P

F

F

G

G

I

V

K

K

A

Q

S

S

G

G

L

L

G

G

R

R

E

E

G

G

S

S

K

K

Y

Y

G

G

I

I

E

D

D

E

Y

Y

L

L

E

E

I

L

K

K

Y

Y

L

V

C

C

L

Y

G
|
G

C93 (≠ M45) to F: in SSADHD; 3% of activity; dbSNP:rs765561257
G176 (= G128) to R: in SSADHD; <1% of activity; dbSNP:rs72552281
H180 (≠ P132) to Y: 83% of activity; dbSNP:rs2760118
P182 (≠ H134) to L: 48% of activity; dbSNP:rs3765310
R213 (= R165) binding substrate; mutation to A: Reduces catalytic activity to less than 15% of wild-type.
C223 (= C175) to Y: in SSADHD; 5% of activity; dbSNP:rs72552282
KPAE 228:231 (≠ KPAS 180:183) binding NAD(+)
T233 (= T185) to M: in SSADHD; 4% of activity; dbSNP:rs1326526453
A237 (= A189) to S: 65% of activity; dbSNP:rs62621664
N255 (≠ S207) to S: in SSADHD; 17% of activity; dbSNP:rs145087265
G268 (= G217) to E: in SSADHD; <1% of activity; dbSNP:rs375628463
GSTTTG 284:289 (≠ GSTEIG 233:238) binding NAD(+)
R334 (= R283) binding substrate; mutation to A: Reduces catalytic activity to less than 15% of wild-type.
N335 (= N284) to K: in SSADHD; 1% of activity; dbSNP:rs72552283
C340 (= C289) modified: Disulfide link with 342, In inhibited form
C342 (= C291) modified: Disulfide link with 340, In inhibited form; mutation to A: Loss of regulation by redox state.
N372 (= N320) natural variant: N -> S
P382 (= P330) to L: in SSADHD; 2% of activity
V406 (≠ L354) to I: in dbSNP:rs143741652
G409 (= G357) to D: in SSADHD; <1% of activity; dbSNP:rs118203984
S498 (= S444) binding substrate; mutation to A: Reduces catalytic activity to less than 15% of wild-type.
G533 (= G479) to R: in SSADHD; <1% of activity; dbSNP:rs72552284

Sites not aligning to the query:

36 G → R: no effect on succinate-semialdehyde dehydrogenase activity; dbSNP:rs4646832

2w8rA The crystal structure of human ssadh in complex with NAD+ (see paper)
56% identity, 99% coverage: 5:479/480 of query aligns to 5:483/485 of 2w8rA

query
sites
2w8rA

D

S

A

A

Q

A

L

L

F

L

R

R

Q

T

Q

D

A

S

F

F

I

V

D

G

G

G

A

R

W

W

V

L

D

P

A

A

D

-

N

-

G

A

Q

A

T

T

L

F

K

P

V

V

N

Q

N

D

P

P

A

A

T

S

G

G

E

A

I

A

L

L

G

G

T

M

V

V

P

A

K

D

M

C

G

G

A

V

A

R

E

E

T

A

R

R

R

A

A

A

I

V

E

R

A

A

D

Y

K

E

A

A

L

F

P

C

A

R

W

W

R

R

A

E

L

V

T

S

A

A

K

K

E

E

R

R

A

S

N

S

K

L

L

L

R

R

R

K

W

W

F

Y

E

N

L

L

L

M

I

I

E

Q

N

N

Q

K

D

D

L

L

G

A

R

R

L

I

M

I

T

T

L

A

E

E

Q

S

G

G

K

K

P

P

L

L

A

K

E

E

A

A

K

H

G

G

E

E

I

I

V

L

Y

Y

A

S

A

A

S

F

F

F

I

L

E

E

W

W

F

F

A

S

E

E

A

A

K

R

R

R

I

V

Y

Y

G

G

D

D

V

I

I

I

P

H

G

T

H

P

Q

A

P

K

D

D

K

R

R

R

L

A

I

L

V

V

I

L

K

K

Q

Q

P

P

I

I

G

G

V

V

T

A

A

A

A

V

I

I

T
|
T

P

P

W

W

N
|
N

F

F

P

P

A

S

A

A

M

M

I

I

T

T

R

R

K

K

A

V

G

G

P

A

A

A

L

L

A

A

G

G

C

C

T

T

M

V

V

V

I

V

K
|
K

P

P

A

A

S

E

Q

D

T

T

P

P

F

F

S

S

A

A

L

L

A

A

L

L

V

A

E

E

L

L

A

A

H

S

R

Q

A

A

G

G

I

I

P

P

K

S

G

G

V

V

L

Y

S

N

V

V

V

I

T

P

G

C

S

S

-

R

-

K

-

N

A
|
A

G

K

D

E

I

V

G

G

G

E

E

A

L

I

T

C

S

T

N

D

P

P

I

L

V

V

R

S

K

K

L

I

S

S

F

F

T

T

G

G

S
|
S

T

T

E

T

I
x
T

G

G

R

K

Q

I

L

L

M

L

A

H

E

H

C

A

A

A

K

N

D

S

I

V

K

K

K

R

V

V

S

S

L

M

E
|
E

L

L

G

G

N

L

A

A

P

P

F

F

I

I

V

V

F

F

D

D

D

S

A

A

D

N

L

V

D

D

K

Q

A

A

V

V

E

A

G

G

A

A

I

M

I

A

S

S

K

K

Y

F

R

R

N

N

N

T

G

G

Q

Q

T

T

C
x
A

V

V

C

C

A

S

N

N

R

Q

L

F

Y

L

I

V

Q

Q

D

R

S

G

V

I

Y

H

D

D

A

A

F

F

A

V

E

K

K

A

L

F

K

A

V

E

A

A

V

M

A

K

K

K

-

N

L

L

K

R

I

V

G

G

N

N

G

G

L

F

E

E

G

G

T

T

T

Q

G

G

P

P

L

L

I

I

D

N

E

E

K

K

A

A

V

V

A

E

K

K

V

V

Q

E

E

K

H

Q

I

V

A

N

D

D

A

A

L

V

K

S

K

K

G

G

A

A

T

T

L

V

A

T

G

G

K

K

V

R

M

H

E

Q

-

L

-

G

G

K

N

N

F

F

E

E

P

P

T

T

I

L

L

L

T

C

N

N

V

V

P

T

K

Q

D

D

A

M

A

L

V

C

A

T

K

H

E

E

E
|
E

T

T

F

F

G

G

P

P

L

L

A

A

P

P

L

V

F

I

R

K

F

F

K

D

D

T

E

E

A

E

E

E

V

A

I

I

A

A

M

I

S

A

N

N

D

A

T

A

E

D

F

V

G

G

L

L

A

A

S

G

Y

Y

F

F

Y

Y

A

S

R

Q

D

D

L

P

G

A

R

Q

V

I

F

W

R

R

V

V

A

A

E

E

A

Q

L

L

E

E

Y

V

G

G

M

M

V

V

G

G

V

V

N

N

T

E

G

G

L

L

I

I

S

S

N

S

E

V

V

E

A

C

P

P

F

F

G

G

I

V

K

K

A

Q

S

S

G

G

L

L

G

G

R

R

E
|
E

G

G

S

S

K

K

Y

Y

G

G

I

I

E

D

D

E

Y

Y

L

L

E

E

I

L

K

K

Y

Y

L

V

C

C

L

Y

G

G

active site: N155 (= N157), K178 (= K180), E256 (= E255), A290 (≠ C289), E388 (= E384), E465 (= E461)
binding adenosine-5'-diphosphate: T152 (= T154), K178 (= K180), A214 (= A213), S235 (= S234), T238 (≠ I237)

2w8qA The crystal structure of human ssadh in complex with ssa. (see paper)
56% identity, 99% coverage: 5:479/480 of query aligns to 5:483/485 of 2w8qA

query
sites
2w8qA

D

S

A

A

Q

A

L

L

F

L

R

R

Q

T

Q

D

A

S

F

F

I

V

D

G

G

G

A

R

W

W

V

L

D

P

A

A

D

-

N

-

G

A

Q

A

T

T

L

F

K

P

V

V

N

Q

N

D

P

P

A

A

T

S

G

G

E

A

I

A

L

L

G

G

T

M

V

V

P

A

K

D

M

C

G

G

A

V

A

R

E

E

T

A

R

R

R

A

A

A

I

V

E

R

A

A

D

Y

K

E

A

A

L

F

P

C

A

R

W

W

R

R

A

E

L

V

T

S

A

A

K

K

E

E

R

R

A

S

N

S

K

L

L

L

R

R

R

K

W

W

F

Y

E

N

L

L

L

M

I

I

E

Q

N

N

Q

K

D

D

L

L

G

A

R

R

L

I

M

I

T

T

L

A

E

E

Q

S

G

G

K

K

P

P

L

L

A

K

E

E

A

A

K

H

G

G

E

E

I

I

V

L

Y

Y

A

S

A

A

S

F

F

F

I

L

E

E

W

W

F

F

A

S

E

E

A

A

K

R

R

R

I

V

Y

Y

G

G

D

D

V

I

I

I

P

H

G

T

H

P

Q

A

P

K

D

D

K

R

R

R

L

A

I

L

V

V

I

L

K

K

Q

Q

P

P

I

I

G

G

V

V

T

A

A

A

A

V

I

I

T

T

P

P

W

W

N
|
N

F

F

P

P

A

S

A

A

M

M

I

I

T

T

R
|
R

K

K

A

V

G

G

P

A

A

A

L

L

A

A

G

G

C

C

T

T

M

V

V

V

I

V

K
|
K

P

P

A

A

S

E

Q

D

T

T

P

P

F

F

S

S

A

A

L

L

A

A

L

L

V

A

E

E

L

L

A

A

H

S

R

Q

A

A

G

G

I

I

P

P

K

S

G

G

V

V

L

Y

S

N

V

V

V

I

T

P

G

C

S

S

-

R

-

K

-

N

A

A

G

K

D

E

I

V

G

G

G

E

E

A

L

I

T

C

S

T

N

D

P

P

I

L

V

V

R

S

K

K

L

I

S

S

F

F

T

T

G

G

S

S

T

T

E

T

I

T

G

G

R

K

Q

I

L

L

M

L

A

H

E

H

C

A

A

A

K

N

D

S

I

V

K

K

K

R

V

V

S

S

L

M

E
|
E

L

L

G

G

N

L

A

A

P

P

F

F

I

I

V

V

F

F

D

D

D

S

A

A

D

N

L

V

D

D

K

Q

A

A

V

V

E

A

G

G

A

A

I

M

I

A

S

S

K

K

Y

F

R
|
R

N

N

N

T

G

G

Q

Q

T

T

C
x
A

V

V

C

C

A

S

N

N

R

Q

L

F

Y

L

I

V

Q

Q

D

R

S

G

V

I

Y

H

D

D

A

A

F

F

A

V

E

K

K

A

L

F

K

A

V

E

A

A

V

M

A

K

K

K

-

N

L

L

K

R

I

V

G

G

N

N

G

G

L

F

E

E

G

G

T

T

T

Q

G

G

P

P

L

L

I

I

D

N

E

E

K

K

A

A

V

V

A

E

K

K

V

V

Q

E

E

K

H

Q

I

V

A

N

D

D

A

A

L

V

K

S

K

K

G

G

A

A

T

T

L

V

A

T

G

G

K

K

V

R

M

H

E

Q

-

L

-

G

G

K

N

N

F

F

E

E

P

P

T

T

I

L

L

L

T

C

N

N

V

V

P

T

K

Q

D

D

A

M

A

L

V

C

A

T

K

H

E

E

E
|
E

T

T

F

F

G

G

P

P

L

L

A

A

P

P

L

V

F

I

R

K

F

F

K

D

D

T

E

E

A

E

E

E

V

A

I

I

A

A

M

I

S

A

N

N

D

A

T

A

E

D

F

V

G

G

L

L

A

A

S

G

Y

Y

F

F

Y

Y

A

S

R

Q

D

D

L

P

G

A

R

Q

V

I

F

W

R

R

V

V

A

A

E

E

A

Q

L

L

E

E

Y

V

G

G

M

M

V

V

G

G

V

V

N

N

T

E

G

G

L

L

I

I

S
|
S

N

S

E

V

V

E

A

C

P

P

F

F

G

G

I

V

K

K

A

Q

S

S

G

G

L

L

G

G

R

R

E
|
E

G

G

S

S

K

K

Y

Y

G

G

I

I

E

D

D

E

Y

Y

L

L

E

E

I

L

K

K

Y

Y

L

V

C

C

L

Y

G

G

active site: N155 (= N157), K178 (= K180), E256 (= E255), A290 (≠ C289), E388 (= E384), E465 (= E461)
binding succinic acid: R163 (= R165), R284 (= R283), A290 (≠ C289), S448 (= S444)

5x5uA Crystal structure of alpha-ketoglutarate-semialdehyde dehydrogenase (kgsadh) complexed with NAD (see paper)
42% identity, 97% coverage: 12:478/480 of query aligns to 6:474/476 of 5x5uA

query
sites
5x5uA

Q

Q

A

L

F

L

I

I

D

D

G

G

A

E

W

W

V

V

D
|
D

A
|
A

D
x
A

N

S

G
|
G

Q

K

T

T

L

I

K

D

V

V

N

V

N

N

P

P

A

A

T

T

G

G

E

K

I

P

L

I

G

G

T

R

V

V

P

A

K

H

M

A

G

G

A

I

A

A

E

D

T

L

R

D

R

R

A

A

I

L

E

A

A

A

D

Q

K

S

A

G

L

F

P

E

A

A

W

W

R

R

A

K

L

V

T

P

A

A

K

H

E

E

R

R

A

A

N

A

K

T

L

M

R

R

R

K

W

A

F

A

E

A

L

L

L

V

I

R

E

E

N

R

Q

A

D

D

D

A

L

I

G

A

R

Q

L

L

M

M

T

T

L

Q

E

E

Q

Q

G

G

K

K

P

P

L

L

A

T

E

E

A

A

K

R

G

V

E

E

I

V

V

L

Y

S

A

A

S

D

F

I

I

I

E

E

W

W

F

F

A

A

E

D

E

E

A

G

K

R

R

R

I

V

Y

Y

G

G

D

R

V

I

I

V

P

P

G

P

H

R

Q

N

P

L

D

G

K

A

R

Q

L

Q

I

T

V

V

I

V

K

K

Q

E

P

P

I

V

G

G

V

P

T

V

A

A

I

F

T

T

P
|
P

W

W

N
|
N

F

F

P

P

A

V

A

N

M

Q

I

V

T

V

R

R

K

K

A

L

G

S

P

A

A

A

L

L

A

A

A

T

G

G

C

C

T

S

M

F

V

L

I

V

K
|
K

P

A

A

P

S

E

Q

E

T

T

P

P

F

A

S

S

A

P

L

A

A

A

L

L

V

L

E

R

L

A

A

F

H

V

R

D

A

A

G

G

I

V

P

P

K

A

G

G

V

V

L

I

S

G

V

L

V

V

T

Y

G

G

S

D

A
x
P

G
x
A

D

E

I

I

G
x
S

G

S

E

Y

L

L

T

I

S

P

N

H

P

P

I

V

V

I

R

R

K

K

L

V

S

T

F

F

T

T

G
|
G

S
|
S

T

T

E

P

I
x
V

G

G

R

K

Q

Q

L

L

M

A

A

S

E

L

C

A

A

G

K

L

D

H

I

M

K

K

K

R

V

A

S

T

L

M

E
|
E

L

L

G

G

N

H

A

A

P

P

F

V

I

I

V

V

F

A

D

E

D

D

A

A

D

D

L

V

D

A

K

L

A

A

V

V

E

K

G

A

A

A

I

G

S

A

K

K

Y

F

R

R

N

N

N

A

G

G

Q

Q

T

V

C
|
C

V

I

C

S

A

P

N

T

R

R

L

F

Y

L

I

V

Q

H

D

N

S

S

V

I

Y

R

D

D

A

E

F

F

A

T

E

R

K

A

L

L

K

V

V

K

A

H

V

A

A

E

K

G

L

L

K

K

I

V

G

G

N

N

G

G

L

L

E

E

G

G

T

T

T

L

G

G

P

A

L

L

I

A

D

N

E

P

K
x
R

A
x
R

V

L

A

T

K

A

V

M

Q

A

E

S

H

V

I

I

A

D

D

N

A

A

L

R

K

K

K

V

G

G

A

A

T

S

L

I

L

E

A

T

G

G

K

E

V

R

M

I

-

G

-

S

E

E

G

G

N

N

F

F

E

A

P

P

T

T

I

V

L

I

T

A

N

N

V

V

P

P

K

L

D

D

A

A

A

D

V

V

A

F

K

N

E

N

E
|
E

T

P

F
|
F

G

G

P

P

L

V

A

A

P

A

L

I

F

R

R

G

F

F

K

D

D

K

E

L

A

E

E

E

V

A

I

I

A

A

M

E

S

A

N

N

D

R

T

L

E

P

F

F

G

G

L

L

A

A

S

G

Y

Y

F

A

Y

F

A

T

R

R

D

S

L

F

G

A

R

N

V

V

F

H

R

L

V

L

A

T

E

Q

A

R

L

L

E

E

Y

V

G

G

M

M

V

L

G

W

V

I

N

N

T

Q

G

P

L

A

I

T

S

P

N

W

E

P

V

E

A

M

P

P

F

F

G

G

I

V

K

K

A

D

S

S

G

G

L

Y

G

G

R

S

E
|
E

G

G

S

G

K

P

Y

E

G

A

I

L

E

E

D

P

Y

Y

L

L

E

V

I

T

K

K

Y

S

L

V

C

T

L

V

active site: N151 (= N157), K174 (= K180), E249 (= E255), C283 (= C289), E380 (= E384), E457 (= E461)
binding glycerol: D15 (= D21), A16 (= A22), A17 (≠ D23), G19 (= G25)
binding nicotinamide-adenine-dinucleotide: P149 (= P155), P207 (≠ A213), A208 (≠ G214), S211 (≠ G217), G227 (= G233), S228 (= S234), V231 (≠ I237), R329 (≠ K335), R330 (≠ A336), E380 (= E384), F382 (= F386)

5x5tA Crystal structure of alpha-ketoglutarate semialdehyde dehydrogenase (kgsadh) from azospirillum brasilense (see paper)
42% identity, 97% coverage: 12:478/480 of query aligns to 6:474/476 of 5x5tA

query
sites
5x5tA

Q

Q

A

L

F

L

I

I

D

D

G

G

A

E

W

W

V

V

D

D

A

A

D

A

N

S

G

G

Q

K

T

T

L

I

K

D

V

V

N

V

N

N

P

P

A

A

T

T

G

G

E

K

I

P

L

I

G

G

T

R

V

V

P

A

K

H

M

A

G

G

A

I

A

A

E

D

T

L

R

D

R

R

A

A

I

L

E

A

A

A

D

Q

K

S

A

G

L

F

P

E

A

A

W

W

R

R

A

K

L

V

T

P

A

A

K

H

E

E

R

R

A

A

N

A

K

T

L

M

R

R

R

K

W

A

F

A

E

A

L

L

L

V

I

R

E

E

N

R

Q

A

D

D

D

A

L

I

G

A

R

Q

L

L

M

M

T

T

L

Q

E

E

Q

Q

G

G

K

K

P

P

L

L

A

T

E

E

A

A

K

R

G

V

E

E

I

V

V

L

Y

S

A

A

S

D

F

I

I

I

E

E

W

W

F

F

A

A

E

D

E

E

A

G

K

R

R

R

I

V

Y

Y

G

G

D

R

V

I

I

V

P

P

G

P

H

R

Q

N

P

L

D

G

K

A

R

Q

L

Q

I

T

V

V

I

V

K

K

Q

E

P

P

I

V

G

G

V

P

T

V

A

A

I

F

T

T

P

P

W

W

N
|
N

F

F

P

P

A

V

A

N

M

Q

I

V

T

V

R

R

K

K

A

L

G

S

P

A

A

A

L

L

A

A

A

T

G

G

C

C

T

S

M

F

V

L

I

V

K
|
K

P

A

A

P

S

E

Q

E

T

T

P

P

F

A

S

S

A

P

L

A

A

A

L

L

V

L

E

R

L

A

A

F

H

V

R

D

A

A

G

G

I

V

P

P

K

A

G

G

V

V

L

I

S

G

V

L

V

V

T

Y

G

G

S

D

A

P

G

A

D

E

I

I

G

S

E

Y

L

L

T

I

S

P

N

H

P

P

I

V

V

I

R

R

K

K

L

V

S

T

F

F

T

T

G

G

S

S

T

T

E

P

I

V

G

G

R

K

Q

Q

L

L

M
x
A

A

S

E

L

C

A

A

G

K

L

D

H

I

M

K

K

K

R

V

A

S

T

L

M

E
|
E

L

L

G

G

N

H

A

A

P

P

F

V

I

I

V

V

F

A

D

E

D

D

A

A

D

D

L

V

D

A

K

L

A

A

V

V

E

K

G

A

A

A

I

G

S

A

K

K

Y

F

R

R

N

N

N

A

G

G

Q

Q

T

V

C
|
C

V

I

C

S

A

P

N

T

R

R

L

F

Y

L

I

V

Q

H

D

N

S

S

V

I

Y

R

D

D

A

E

F

F

A

T

E

R

K

A

L

L

K

V

V

K

A

H

V

A

A

E

K

G

L

L

K

K

I

V

G

G

N

N

G

G

L

L

E

E

G

G

T

T

T

L

G

G

P

A

L

L

I

A

D

N

E

P

K

R

A

R

V

L

A

T

K

A

V

M

Q

A

E

S

H

V

I

I

A

D

D

N

A

A

L

R

K

K

K

V

G

G

A

A

T

S

L

I

L

E

A

T

G

G

K

E

V

R

M

I

-

G

-

S

E

E

G

G

N

N

F

F

E

A

P

P

T

T

I

V

L

I

T

A

N

N

V

V

P

P

K

L

D

D

A

A

A

D

V

V

A

F

K

N

E

N

E
|
E

T

P

F

F

G

G

P

P

L

V

A

A

P

A

L

I

F

R

R

G

F

F

K

D

D

K

E

L

A

E

E

E

V

A

I

I

A

A

M

E

S

A

N

N

D

R

T

L

E

P

F

F

G

G

L

L

A

A

S

G

Y

Y

F

A

Y

F

A

T

R

R

D

S

L

F

G

A

R

N

V

V

F

H

R

L

V

L

A

T

E

Q

A

R

L

L

E

E

Y

V

G

G

M

M

V

L

G

W

V

I

N

N

T

Q

G

P

L

A

I

T

S

P

N

W

E

P

V

E

A

M

P

P

F

F

G

G

I

V

K

K

A

D

S

S

G

G

L
x
Y

G

G

R

S

E
|
E

G

G

S

G

K

P

Y

E

G

A

I

L

E

E

D

P

Y

Y

L

L

E

V

I

T

K

K

Y

S

L

V

C

T

L

V

active site: N151 (= N157), K174 (= K180), E249 (= E255), C283 (= C289), E380 (= E384), E457 (= E461)
binding glycerol: A236 (≠ M242), Y454 (≠ L458)

6j76A Structure of 3,6-anhydro-l-galactose dehydrogenase in complex with nap (see paper)
39% identity, 97% coverage: 10:474/480 of query aligns to 1:471/477 of 6j76A

query
sites
6j76A

R

Q

Q

Y

Q

Q

A

M

F

Y

I

V

D

G

G

G

A

E

W

W

V

I

D

D

A

A

D

S

N

N

G

G

Q

Q

T

T

L

E

K

P

V

V

N

V

N

S

P

P

A

I

T

N

G

E

E

E

I

V

L

L

G

A

T

Y

V

I

P

Q

K

D

M

A

G

D

A

A

A

S

E

D

T

A

R

E

R

R

A

V

I

L

E

A

A

V

A

A

D

T

K

T

A

A

L

Q

P

K

A

E

W

W

R

A

A

K

L

Q

T

P

A

A

K

R

E

Q

R

R

A

A

N

E

K

V

L

L

R

R

R

K

W

F

F

A

E

Q

L

L

L

I

I

R

E

D

N

N

Q

K

D

Q

D

Y

L

L

G

A

R

E

L

L

M

L

T

V

L

K

E

E

Q

Q

G

G

K

K

P

L

L

L

A

K

E

V

A

A

K

L

G

G

E

E

I

V

V

E

Y

A

A

T

A

S

S

T

F

F

I

I

E

E

W

Y

F

A

A

C

E

D

E

W

A

A

K

R

R

Q

I

M

Y

D

G

G

D

D

V

I

I

V

P

K

G

S

H

D

Q

N

P

A

D

N

K

E

R

Q

L

I

I

M

V

I

I

H

K

K

Q

I

P

P

I

R

G

G

V

V

T

V

A

V

A

A

I
|
I

T
|
T

P
x
A

W
|
W

N
|
N

F

F

P

P

A

L

A

A

M

L

I

A

T

G

R

R

K

K

A

I

G

G

P

P

A

A

L

L

A

V

A

A

G

G

C

N

T

S

M

I

V

V

I

V

K
|
K

P

P

A
x
T

S
|
S

Q

E

T

T

P

P

F

L

S

A

A

T

L

L

A

E

L

L

V

G

E

Y

L

L

A

A

H

E

R

Q

A

A

G

G

I

I

P

P

K

A

G

G

V

V

L

L

S

N

V

I

V

V

T

T

G

G

S

G

A
x
G

G

R

D

T

I

L

G
|
G

G

N

E

E

L

L

T

V

S

G

N

H

P

R

I

M

V

T

R

N

K

M

L

V

S

S

F

M

T
|
T

G
|
G

S
|
S

T

T

E

P

I
x
A

G

G

R

Q

Q
x
S

L
x
I

M

I

A

R

E

A

C

S

A

A

K

N

D

N

I

M

K

A

K

H

V

V

S

Q

L

L

E
|
E

L
|
L

G

G

N

K

A

A

P

P

F

F

I

I

V

V

F

M

D

E

D

D

A

A

D

D

L

L

D

E

K

Q

A

A

V

A

E

A

G

A

A

A

I

L

I

H

S

S

K

R

Y

F

R

D

N

N

N

C

G

G

Q

Q

T

V

C
|
C

V

T

C

C

A

N

N

E

R

R

L

M

Y

Y

I

V

Q

H

D

G

S

A

V

V

Y

Y

D

D

A

E

F

F

A

M

E

R

K

I

L

F

K

M

V

G

A

K

V

V

A

E

K

A

L

I

K

K

I

V

G

G

N

D

G

P

L

M

E

D

E

P

G

A

T

S

T

D

T

M

G

G

P

P

L

K

I

V

D

N

E

A

K

N

A

E

V

L

A

A

K

H

V

M

Q

E

E

E

H

L

I

V

A

A

D

E

A

A

L

V

K

D

K

E

G

G

A

A

T

T

L

V

L

L

A

F

G

G

K

K

V

K

M

L

E

E

G

G

N

P

-

E

-

F

-

E

-

K

-

G

-

F

F

W

F

F

E

E

P

P

T

T

I

V

L

L

T

T

N

N

V

V

P

T

K

Q

D

D

A

M

A

T

V

I

A

V

K

H

E

E

E
|
E

T

S

F
|
F

G

G

P

P

L

I

A

L

P

P

L

V

F

I

R

K

F

F

K

D

D

S

E

F

A

D

E

E

V

V

I

I

A

E

M

Y

S

A

N

N

D

D

T

S

E

D

F

Y

G

G

L

L

A

A

S

A

Y

M

F

I

Y

C

A

T

R

Q

D

N

L

M

G

H

R

Y

V

I

F

N

R

R

V

L

A

L

E

T

A

E

L

L

E

E

Y

S

G

G

M

E

V

I

G

Y

V

V

N

N

T

R

G

G

L

H

I

G

S

E

N

Q

E

H

V

Q

A

G

P

F

F
x
H

G

N

G

G

I

Y

K

K

A

L

S

S

G

G

L

T

G

G

R

G

E
|
E

G

D

S

G

K

K

Y

Y

G

G

I

F

E

E

D

Q

Y

Y

L

L

E

E

I

K

K

K

active site: N148 (= N157), E246 (= E255), C280 (= C289), E458 (= E461)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I144 (= I153), T145 (= T154), A146 (≠ P155), W147 (= W156), N148 (= N157), K171 (= K180), T173 (≠ A182), S174 (= S183), G204 (≠ A213), G208 (= G217), T223 (= T232), G224 (= G233), S225 (= S234), A228 (≠ I237), S231 (≠ Q240), I232 (≠ L241), E246 (= E255), L247 (= L256), C280 (= C289), E381 (= E384), F383 (= F386), H447 (≠ F450)

P17202 Aminoaldehyde dehydrogenase BADH; 4-trimethylammoniobutyraldehyde dehydrogenase BADH; Aminobutyraldehyde dehydrogenase BADH; Betaine aldehyde dehydrogenase; SoBADH; EC 1.2.1.-; EC 1.2.1.47; EC 1.2.1.19; EC 1.2.1.8 from Spinacia oleracea (Spinach) (see 3 papers)
40% identity, 97% coverage: 11:474/480 of query aligns to 8:480/497 of P17202

query
sites
P17202

Q

R

Q

Q

A

L

F

F

I

I

D

D

G

G

A

E

W

W

V

R

D

E

A

P

D

I

N

K

G

K

Q

N

T

R

L

I

K

P

V

V

N
x
I

N

N

P

P

A

S

T

T

G

E

E

E

I

I

L

I

G

G

T

D

V

I

P

P

K

A

M

A

G

T

A

A

A

E

E

D

T

V

R

E

R

V

A

A

I

V

E

V

A

A

D

R

K

R

A

A

L

F

-

R

P

N

A

N

W

W

R

S

A

A

L

T

T

S

A

G

K

A

E

H

R

R

A

A

N

T

K

Y

L

L

R

R

R

A

W

I

F

A

E

A

L

K

L

I

I

T

E

E

N

K

Q

K

D

D

D

H

L

F

G

V

R

K

L

L

M

E

T

T

L

I

E
x
D

Q

S

G

G

K

K

P

P

L

F

A

D

E

E

A

A

K

V

G

L

E

D

I

I

V

D

Y

D

A

V

A

A

S

S

F

C

I

F

E

E

W

Y

F

F

A

A

E

G

E

Q

A

A

K

E

R

A

I

L

Y

D

G

G

-

K

D

Q

V

K

I

A

P

P

G

V

H

T

Q

L

P

P

D

M

K

E

R

R

L

F

-

K

-

S

I

H

V

V

I

L

K

R

Q

Q

P

P

I

L

G

G

V

V

T

V

A

G

A

L

I

I

T
x
S

P
|
P

W
|
W

N

N

F
x
Y

P

P

A

L

M

M

I

A

T

T

R
x
W

K

K

A

I

G

A

P

P

A

A

L

L

A

A

G

G

C

C

T

T

M

A

V

V

I

L

K
|
K

P
|
P

A
x
S

S
x
E

Q
x
L

T

A

P

S

F

V

S

T

A

C

L

L

A

E

L

F

V

G

E

E

L

V

A

C

H

N

R

E

A

V

G

G

I

L

P

P

K

P

G

G

V

V

L

L

S

N

V

I

V

L

T

T

G

G

S

L

A

G

G

P

D

D

I

A

G

G

G

A

E

P

L

L

T

V

S

S

N

H

P

P

I

D

V

V

R

D

K

K

L

I

S

A

F

F

T

T

G

G

S
|
S

T
x
S

E
x
A

I
x
T

G

G

R

S

Q

K

L

V

M

M

A

A

E

S

C

A

A

A

K

Q

D

L

I
x
V

K

K

K

P

V

V

S

T

L

L

E

E

L
|
L

G

G

N

K

A

S

P

P

F

I

I

V

V

V

F

F

D

E

D

D

A

V

D

D

L

I

D

D

K

K

A

V

V

V

E

E

G

W

A

T

I

I

I

F

S

G

K

C

Y

F

R
x
W

N

T

N

N

G

G

Q

Q

T

I

C

C

V

S

C

A

A

T

N

S

R

R

L

L

Y

L

I

V

Q

H

D

E

S

S

V

I

Y

A

D

A

A

E

F

F

A

V

E

D

K

K

L

L

K

V

V

K

A

W

V

T

A

K

K

N

L

I

K

K

I

I

G

S

N

D

G

P

L

F

E

E

G

G

T

C

T

R

T

L

G

G

P

P

L

V

I

I

D

S

E

K

K

G

A

Q

V

Y

A

D

K

K

V

I

Q

M

E

K

H

F

I

I

A

S

D

T

A

A

L

K

K

S

K

E

G

G

A

A

T

T

L

I

L

L

A

Y

G

G

-

S

-

R

-

P

-

E

K

H

V

L

M

K

E

K

G

G

N

Y

F

Y

F

I

E

E

P

P

T

T

I

I

L

V

T

T

N

D

V

I

P

S

K

T

D

S

A

M

A

Q

V

I

A

W

K

K

E

E

E
|
E

T

V

F

F

G

G

P

P

L

V

A

L

P

C

L

V

F

K

R

T

F

F

K

S

D

S

E

E

A

D

E

E

V

A

I

I

A

A

M

L

S

A

N

N

D

D

T

T

E

E

F

Y

G

G

L

L

A

A

S

A

Y

A

F

V

Y

F

A

S

R

N

D

D

L

L

G

E

R

R

V

C

F

E

R

R

V

I

A

T

E

K

A

A

L

L

E

E

Y

V

G

G

M
x
A

V

V

G

W

V

V

N

N

T

C

G

S

L

Q

I

P

S
x
C

N

F

E

V

V

Q

A

A

P

P

F
x
W

G

G

I

I

K
|
K

A

R

S

S

G

G

L

F

G

G

R

R

E

E

G

L

S

G

K

E

Y

W

G

G

I

I

E

Q

D

N

Y

Y

L

L

E

N

I

I

K

K

I28 (≠ N31) binding K(+)
D96 (≠ E97) binding K(+)
SPW 156:158 (≠ TPW 154:156) binding NAD(+)
Y160 (≠ F158) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-(trimethylamino)butanal.
W167 (≠ R165) mutation to A: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
KPSE 182:185 (≠ KPAS 180:183) binding NAD(+)
L186 (≠ Q184) binding K(+)
SSAT 236:239 (≠ STEI 234:237) binding NAD(+)
V251 (≠ I249) binding in other chain
L258 (= L256) binding NAD(+)
W285 (≠ R283) mutation to A: Decreases binding affinity for betaine aldehyde.
E390 (= E384) binding NAD(+)
A441 (≠ M435) mutation to I: Decreases binding affinity for betaine aldehyde; increases binding affinity for 4-aminobutanal.
C450 (≠ S444) mutation to S: Loss of partial inactivation by betaine aldehyde in the absence of NAD(+).
W456 (≠ F450) binding NAD(+); mutation to A: Decreases binding affinity for betaine aldehyde.
K460 (= K454) binding K(+)

4go2A Crystal structure of thE C-terminal domain of 10'formyltetrahydrofolate dehydrogenase in complex with thio-NADP (see paper)
39% identity, 96% coverage: 12:474/480 of query aligns to 19:492/498 of 4go2A

query
sites
4go2A

Q

Q

A

L

F

F

I

I

D

G

G

G

A

E

W

F

V

V

D

D

A

A

D

E

N

G

G

S

Q

K

T

T

L

Y

K

N

V

T

N

I

N

N

P

P

A

T

T

D

G

G

E

S

I

V

L

I

G

C

T

Q

V

V

P

S

K

L

M

A

G

Q

A

V

A

S

E

D

T

V

R

D

R

K

A

A

I

V

E

A

A

A

D

K

K

E

A

A

L

F

P

E

A

N

-

G

-

L

W

W

R

G

A

K

L

I

T

N

A

A

K

R

E

D

R

R

A

G

N

R

K

L

L

L

R

Y

R

R

W

L

F

A

E

D

L

V

L

M

I

E

E

Q

N

H

Q

Q

D

E

L

L

G

A

R

T

L

I

M

E

T

A

L

L

E

D

Q

A

G

G

K

A

P

V

L

Y

A

T

E

L

A

A

-

L

K

K

G

T

E

H

I

V

V

G

Y

M

A

S

A

I

S

Q

F

T

I

F

E

R

W

Y

F

F

A

A

E

G

E

W

A

C

K

D

R

K

I

I

Y

Q

G

G

D

A

V

T

I

I

P

P

G

I

H

N

Q

Q

-

A

-

R

P

P

D

N

K

R

R

N

L

L

I

T

V

L

I

T

K

K

-

K

Q

E

P

P

I

V

G

G

V

V

T

C

A

G

A

I

I
x
V

T
x
I

P
|
P

W
|
W

N
|
N

F

Y

P

P

A

L

A

M

M

M

I

L

T

S

R

W

K

K

A

T

G

A

P

A

A

C

L

L

A

A

G

G

C

N

T

T

M

V

V

V

I

I

K
|
K

P

P

A
|
A

S
x
Q

Q

V

T

T

P

P

F

L

S

T

A

A

L

L

A

K

L

F

V

A

E

E

L

L

A

T

H

L

R

K

A

A

G

G

I

I

P

P

K

K

G

G

V

V

L

V

S

N

V

I

V

L

T

P

G

G

S
|
S

A
x
G

G

S

D

L

I

V

G
|
G

G
x
Q

E

R

L

L

T

S

S

D

N

H

P

P

I

D

V

V

R

R

K

K

L

I

S

G

F
|
F

T

T

G
|
G

S
|
S

T

T

E

E

I
x
V

G

G

R

K

Q

H

L
x
I

M

M

A

K

E

S

C

C

A

A

-

L

K

S

D

N

I

V

K

K

V

V

S

S

L

L

E
|
E

L

L

G
|
G

G

G

N

K

A

S

P

P

F

L

I

I

V

I

F

F

D

A

D

D

A

C

D

D

L

L

D

N

K

K

A

A

V

V

E

Q

G

M

A

G

I

M

I

S

S

S

K

V

Y

F

R

F

N

N

N

K

G

G

Q

E

T

N

C
|
C

V

I

C

A

A

A

N

G

R

R

L

L

Y

F

I

V

Q

E

D

E

S

S

V

I

Y

H

D

N

A

Q

F

F

A

V

E

Q

K

K

L

V

K

V

V

E

A

E

V

V

A

E

K

K

L

M

K

K

I

I

G

G

N

N

G

P

L

L

E

E

E

R

G

D

T

T

T

N

T

H

G

G

P

P

L

Q

I

N

D

H

E

E

K

A

A

H

V

L

A

R

K

K

V

L

Q

V

E

E

H

Y

I

C

A

Q

D

R

A

G

L

V

K

K

K

E

G

G

A

A

T

T

L

L

L

V

A

C

G

G

K

N

V

Q

M

V

-

P

-

R

E

P

G

G

N

F

F

F

E

Q

P

P

T

T

I

V

L

F

T

T

N

D

V

V

P

E

K

D

D

H

A

M

A

Y

V

I

A

A

K

K

E

E

E
|
E

T

S

F
|
F

G

G

P

P

L

I

A

M

P

I

L

I

F

S

R

R

F

F

K

A

-

D

-

G

D

D

E

V

A

D

E

A

V

V

I

L

A

S

M

R

S

A

N

N

D

A

T

T

E

E

F

F

G

G

L

L

A

A

S

S

Y

G

F

V

Y

F

A

T

R

R

D

D

L

I

G

N

R

K

V

A

F

L

R

Y

V

V

A

S

E

D

A

K

L

L

E

Q

Y

A

G

G

M

T

V

V

G

F

V

I

N

N

T

T

G

Y

L

N

I

K

S

T

N

D

E

V

V

A

A

A

P

P

F

F

G

G

I

F

K

K

A

Q

S

S

G

G

L

F

G

G

R

K

E
x
D

G

L

S

G

K

E

Y

A

G

A

I

L

E

N

D

E

Y

Y

L

L

E

R

I

I

K

K

active site: N170 (= N157), K193 (= K180), E269 (= E255), C303 (= C289), E400 (= E384), D479 (≠ E461)
binding 7-thionicotinamide-adenine-dinucleotide phosphate: V166 (≠ I153), I167 (≠ T154), P168 (= P155), W169 (= W156), K193 (= K180), A195 (= A182), Q196 (≠ S183), S225 (= S212), G226 (≠ A213), G230 (= G217), Q231 (≠ G218), F244 (= F231), G246 (= G233), S247 (= S234), V250 (≠ I237), I254 (≠ L241), E269 (= E255), G271 (= G257), C303 (= C289), E400 (= E384), F402 (= F386)

2o2rA Crystal structure of thE C-terminal domain of rat 10'formyltetrahydrofolate dehydrogenase in complex with NADPH (see paper)
39% identity, 96% coverage: 12:474/480 of query aligns to 19:492/498 of 2o2rA

query
sites
2o2rA

Q

Q

A

L

F

F

I

I

D

G

G

G

A

E

W

F

V

V

D

D

A

A

D

E

N

G

G

S

Q

K

T

T

L

Y

K

N

V

T

N

I

N

N

P

P

A

T

T

D

G

G

E

S

I

V

L

I

G

C

T

Q

V

V

P

S

K

L

M

A

G

Q

A

V

A

S

E

D

T

V

R

D

R

K

A

A

I

V

E

A

A

A

D

K

K

E

A

A

L

F

P

E

A

N

-

G

-

L

W

W

R

G

A

K

L

I

T

N

A

A

K

R

E

D

R

R

A

G

N

R

K

L

L

L

R

Y

R

R

W

L

F

A

E

D

L

V

L

M

I

E

E

Q

N

H

Q

Q

D

E

L

L

G

A

R

T

L

I

M

E

T

A

L

L

E

D

Q

A

G

G

K

A

P

V

L

Y

A

T

E

L

A

A

-

L

K

K

G

T

E

H

I

V

V

G

Y

M

A

S

A

I

S

Q

F

T

I

F

E

R

W

Y

F

F

A

A

E

G

E

W

A

C

K

D

R

K

I

I

Y

Q

G

G

D

A

V

T

I

I

P

P

G

I

H

N

Q

Q

-

A

-

R

P

P

D

N

K

R

R

N

L

L

I

T

V

L

I

T

K

K

-

K

Q

E

P

P

I

V

G

G

V

V

T

C

A

G

A

I

I
x
V

T
x
I

P

P

W
|
W

N
|
N

F

Y

P

P

A

L

A

M

M

M

I

L

T

S

R

W

K

K

A

T

G

A

P

A

A

C

L

L

A

A

G

G

C

N

T

T

M

V

V

V

I

I

K
|
K

P

P

A
|
A

S
x
Q

Q

V

T

T

P

P

F

L

S

T

A

A

L

L

A

K

L

F

V

A

E

E

L

L

A

T

H

L

R

K

A

A

G

G

I

I

P

P

K

K

G

G

V

V

L

V

S

N

V

I

V

L

T

P

G

G

S
|
S

A
x
G

G

S

D

L

I

V

G
|
G

G
x
Q

E

R

L

L

T

S

S

D

N

H

P

P

I

D

V

V

R

R

K

K

L

I

S

G

F
|
F

T

T

G

G

S
|
S

T

T

E

E

I
x
V

G

G

R

K

Q

H

L
x
I

M

M

A

K

E

S

C

C

A

A

-

L

K

S

D

N

I

V

K

K

V

V

S

S

L

L

E
|
E

L

L

G

G

N

K

A

S

P

P

F

L

I

I

V

I

F

F

D

A

D

D

A

C

D

D

L

L

D

N

K

K

A

A

V

V

E

Q

G

M

A

G

I

M

I

S

S

S

K

V

Y

F

R

F

N

N

N

K

G

G

Q

E

T

N

C
|
C

V

I

C

A

A

A

N

G

R

R

L

L

Y

F

I

V

Q

E

D

E

S

S

V

I

Y

H

D

N

A

Q

F

F

A

V

E

Q

K

K

L

V

K

V

V

E

A

E

V

V

A

E

K

K

L

M

K

K

I

I

G

G

N

N

G

P

L

L

E

E

E

R

G

D

T

T

T

N

T

H

G

G

P

P

L

Q

I

N

D

H

E

E

K

A

A

H

V

L

A

R

K

K

V

L

Q

V

E

E

H

Y

I

C

A

Q

D

R

A

G

L

V

K

K

K

E

G

G

A

A

T

T

L

L

L

V

A

C

G

G

K

N

V

Q

M

V

-

P

-

R

E

P

G

G

N

F

F

F

E

Q

P

P

T

T

I

V

L

F

T

T

N

D

V

V

P

E

K

D

D

H

A

M

A

Y

V

I

A

A

K

K

E

E

E
|
E

T

S

F

F

G

G

P

P

L

I

A

M

P

I

L

I

F

S

R

R

F

F

K

A

-

D

-

G

D

D

E

V

A

D

E

A

V

V

I

L

A

S

M

R

S

A

N

N

D

A

T

T

E

E

F

F

G

G

L

L

A

A

S

S

Y

G

F

V

Y

F

A

T

R

R

D

D

L

I

G

N

R

K

V

A

F

L

R

Y

V

V

A

S

E

D

A

K

L

L

E

Q

Y

A

G

G

M

T

V

V

G

F

V

I

N

N

T

T

G

Y

L

N

I

K

S

T

N

D

E

V

V

A

A

A

P

P

F

F

G

G

I

F

K

K

A

Q

S

S

G

G

L

F

G

G

R

K

E
x
D

G

L

S

G

K

E

Y

A

G

A

I

L

E

N

D

E

Y

Y

L

L

E

R

I

I

K

K

active site: N170 (= N157), K193 (= K180), E269 (= E255), C303 (= C289), E400 (= E384), D479 (≠ E461)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: V166 (≠ I153), I167 (≠ T154), W169 (= W156), K193 (= K180), A195 (= A182), Q196 (≠ S183), S225 (= S212), G226 (≠ A213), G230 (= G217), Q231 (≠ G218), F244 (= F231), S247 (= S234), V250 (≠ I237), I254 (≠ L241)

7rluA Structure of aldh1l1 (10-formyltetrahydrofolate dehydrogenase) in complex with NADP (see paper)
39% identity, 96% coverage: 12:474/480 of query aligns to 104:577/583 of 7rluA

query
sites
7rluA

Q

Q

A

L

F

F

I

I

D

G

G

G

A

E

W

F

V

V

D

D

A

A

D

E

N

G

G

S

Q

K

T

T

L

Y

K

N

V

T

N

I

N

N

P

P

A

T

T

D

G

G

E

S

I

V

L

I

G

C

T

Q

V

V

P

S

K

L

M

A

G

Q

A

V

A

S

E

D

T

V

R

D

R

K

A

A

I

V

E

A

A

A

D

K

K

E

A

A

L

F

P

E

A

N

-

G

-

L

W

W

R

G

A

K

L

I

T

N

A

A

K

R

E

D

R

R

A

G

N

R

K

L

L

L

R

Y

R

R

W

L

F

A

E

D

L

V

L

M

I

E

E

Q

N

H

Q

Q

D

E

L

L

G

A

R

T

L

I

M

E

T

A

L

L

E

D

Q

A

G

G

K

A

P

V

L

Y

A

T

E

L

A

A

-

L

K
|
K

G

T

E

H

I

V

V

G

Y

M

A

S

A

I

S

Q

F

T

I

F

E

R

W

Y

F

F

A

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G

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A

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K

D

R

K

I

I

Y

Q

G

G

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A

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T

I

I

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P

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N

Q

Q

-

A

-

R

P

P

D

N

K

R

R

N

L

L

I

T

V

L

I

T

K

K

-

K

Q

E

P

P

I

V

G

G

V

V

T

C

A

G

A

I

I

V

T

I

P

P

W

W

N

N

F

Y

P

P

A

L

A

M

M

M

I

L

T

S

R

W

K

K

A

T

G

A

P

A

A

C

L

L

A

A

G

G

C

N

T

T

M

V

V

V

I

I

K
|
K

P

P

A

A

S

Q

Q

V

T

T

P

P

F

L

S

T

A

A

L

L

A

K

L

F

V

A

E

E

L

L

A

T

H

L

R

K

A

A

G

G

I

I

P

P

K

K

G

G

V

V

L

V

S

N

V

I

V

L

T

P

G

G

S
|
S

A
x
G

G

S

D

L

I

V

G
|
G

G

Q

E

R

L

L

T

S

S

D

N

H

P

P

I

D

V

V

R

R

K

K

L

I

S

G

F

F

T

T

G
|
G

S
|
S

T

T

E

E

I
x
V

G

G

R

K

Q

H

L

I

M

M

A

K

E

S

C

C

A

A

-

L

K

S

D

N

I

V

K

K

V

V

S

S

L

L

E

E

L

L

G

G

N

K

A

S

P

P

F

L

I

I

V

I

F

F

D

A

D

D

A

C

D

D

L

L

D

N

K

K

A

A

V

V

E

Q

G

M

A

G

I

M

I

S

S

S

K

V

Y

F

R
x
F

N

N

N

K

G

G

Q

E

T
x
N

C
|
C

V

I

C

A

A

A

N

G

R

R

L

L

Y

F

I

V

Q

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D

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S

S

V

I

Y

H

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N

A

Q

F

F

A

V

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Q

K

K

L

V

K

V

V

E

A

E

V

V

A

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K

K

L

M

K

K

I

I

G

G

N

N

G

P

L

L

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E

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R

G

D

T

T

T

N

T

H

G

G

P

P

L

Q

I

N

D

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E

K

A

A

H

V

L

A

R

K

K

V

L

Q

V

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H

Y

I

C

A

Q

D

R

A

G

L

V

K

K

K

E

G

G

A

A

T

T

L

L

L

V

A

C

G

G

K

N

V

Q

M

V

-

P

-

R

E

P

G

G

N

F

F

F

E

Q

P

P

T

T

I

V

L

F

T

T

N

D

V

V

P

E

K

D

D

H

A

M

A

Y

V

I

A

A

K

K

E

E

T

S

F

F

G

G

P

P

L

I

A

M

P

I

L

I

F

S

R

R

F

F

K

A

-

D

-

G

D

D

E

V

A

D

E

A

V

V

I

L

A

S

M

R

S

A

N

N

D

A

T

T

E

E

F

F

G

G

L

L

A

A

S

S

Y

G

F

V

Y

F

A

T

R

R

D

D

L

I

G

N

R

K

V

A

F

L

R

Y

V

V

A

S

E

D

A

K

L

L

E

Q

Y

A

G

G

M

T

V

V

G

F

V

I

N

N

T

T

G

Y

L
x
N

I

K

S

T

N

D

E

V

V

A

A

A

P

P

F

F

G

G

I

F

K

K

A

Q

S

S

G

G

L

F

G

G

R

K

E

D

G

L

S

G

K

E

Y

A

G

A

I

L

E

N

D

E

Y

Y

L

L

E

R

I

I

K

K

binding nadp nicotinamide-adenine-dinucleotide phosphate: K278 (= K180), S310 (= S212), G311 (≠ A213), G315 (= G217), G331 (= G233), S332 (= S234), V335 (≠ I237)
binding 4'-phosphopantetheine: K201 (= K106), F382 (≠ R283), N387 (≠ T288), C388 (= C289), N545 (≠ L442)

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)
39% identity, 96% coverage: 12:474/480 of query aligns to 423:896/902 of P28037

query
sites
P28037

Q

Q

A

L

F

F

I

I

D

G

G

G

A

E

W

F

V

V

D

D

A

A

D

E

N

G

G

S

Q

K

T

T

L

Y

K

N

V

T

N

I

N

N

P

P

A

T

T

D

G

G

E

S

I

V

L

I

G

C

T

Q

V

V

P

S

K

L

M

A

G

Q

A

V

A

S

E

D

T

V

R

D

R

K

A

A

I

V

E

A

A

A

D

K

K

E

A

A

L

F

P

E

A

N

-

G

-

L

W

W

R

G

A

K

L

I

T

N

A

A

K

R

E

D

R

R

A

G

N

R

K

L

L

L

R

Y

R

R

W

L

F

A

E

D

L

V

L

M

I

E

E

Q

N

H

Q

Q

D

E

L

L

G

A

R

T

L

I

M

E

T

A

L

L

E

D

Q

A

G

G

K

A

P

V

L

Y

A

T

E

L

A

A

-

L

K

K

G

T

E

H

I

V

V

G

Y

M

A

S

A

I

S

Q

F

T

I

F

E

R

W

Y

F

F

A

A

E

G

E

W

A

C

K

D

R

K

I

I

Y

Q

G

G

D

A

V

T

I

I

P

P

G

I

H

N

Q

Q

-

A

-

R

P

P

D

N

K

R

R

N

L

L

I

T

V

L

I

T

K

K

-

K

Q

E

P

P

I

V

G

G

V

V

T

C

A

G

A

I

I

V

T
x
I

P
|
P

W
|
W

N

N

F

Y

P

P

A

L

A

M

M

M

I

L

T

S

R

W

K

K

A

T

G

A

P

A

A

C

L

L

A

A

G

G

C

N

T

T

M

V

V

V

I

I

K
|
K

P
|
P

A
|
A

S
x
Q

Q

V

T

T

P

P

F

L

S

T

A

A

L

L

A

K

L

F

V

A

E

E

L

L

A

T

H

L

R

K

A

A

G

G

I

I

P

P

K

K

G

G

V

V

L

V

S

N

V

I

V

L

T

P

G

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A
x
G

G
x
S

D
x
L

I
x
V

G
|
G

G
x
Q

E

R

L

L

T

S

S

D

N

H

P

P

I

D

V

V

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K

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L

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F

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T

T

G
|
G

S
|
S

T

T

E

E

I

V

G

G

R

K

Q

H

L

I

M

M

A

K

E

S

C

C

A

A

-

L

K

S

D

N

I

V

K

K

V

V

S

S

L

L

E
|
E

L
|
L

G

G

N

K

A

S

P

P

F

L

I

I

V

I

F

F

D

A

D

D

A

C

D

D

L

L

D

N

K

K

A

A

V

V

E

Q

G

M

A

G

I

M

I

S

S

S

K

V

Y

F

R

F

N

N

N

K

G

G

Q

E

T

N

C
|
C

V

I

C

A

A

A

N

G

R

R

L

L

Y

F

I

V

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E

D

E

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S

V

I

Y

H

D

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A

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F

F

A

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E

Q

K

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L

V

K

V

V

E

A

E

V

V

A

E

K

K

L

M

K

K

I

I

G

G

N

N

G

P

L

L

E

E

E

R

G

D

T

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T

N

T

H

G

G

P

P

L

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I

N

D

H

E

E

K

A

A

H

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A

R

K
|
K

V

L

Q

V

E

E

H

Y

I

C

A

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D

R

A

G

L

V

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K

K

E

G

G

A

A

T

T

L

L

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V

A

C

G

G

K

N

V

Q

M

V

-

P

-

R

E

P

G

G

N

F

F

F

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Q

P

P

T

T

I

V

L

F

T

T

N

D

V

V

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K

D

D

H

A

M

A

Y

V

I

A

A

K

K

E

E

E
|
E

T
x
S

F
|
F

G

G

P

P

L

I

A

M

P

I

L

I

F

S

R

R

F

F

K

A

-

D

-

G

D

D

E

V

A

D

E

A

V

V

I

L

A

S

M

R

S

A

N

N

D

A

T

T

E

E

F

F

G

G

L

L

A

A

S

S

Y

G

F

V

Y

F

A

T

R

R

D

D

L

I

G

N

R

K

V

A

F

L

R

Y

V

V

A

S

E

D

A

K

L

L

E

Q

Y

A

G

G

M

T

V

V

G

F

V

I

N

N

T

T

G

Y

L

N

I

K

S

T

N

D

E

V

V

A

A

A

P

P

F

F

G

G

I

F

K

K

A

Q

S

S

G

G

L

F

G

G

R

K

E

D

G

L

S

G

K

E

Y

A

G

A

I

L

E

N

D

E

Y

Y

L

L

E

R

I

I

K

K

IPW 571:573 (≠ TPW 154:156) binding NADP(+)
KPAQ 597:600 (≠ KPAS 180:183) binding NADP(+)
GSLVGQ 630:635 (≠ AGDIGG 213:218) binding NADP(+)
GS 650:651 (= GS 233:234) binding NADP(+)
E673 (= E255) mutation to A: Loss of aldehyde dehydrogenase activity.
EL 673:674 (= EL 255:256) binding NADP(+)
C707 (= C289) mutation to A: Loss of formyltetrahydrofolate dehydrogenase activity. No effect on formyltetrahydrofolate hydrolase activity. No effect on NADP binding. No effect on homotetramerization.
K757 (= K339) binding NADP(+)
ESF 804:806 (≠ ETF 384:386) 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.

4v37A Crystal structure of betaine aldehyde dehydrogenase from spinach showing a thiohemiacetal with 3-aminopropionaldehyde
40% identity, 97% coverage: 11:474/480 of query aligns to 6:478/495 of 4v37A

query
sites
4v37A

Q

R

Q

Q

A

L

F

F

I

I

D

D

G

G

A

E

W

W

V

R

D

E

A

P

D

I

N

K

G

K

Q

N

T

R

L

I

K

P

V

V

N

I

N

N

P

P

A

S

T

T

G

E

E

E

I

I

L

I

G

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T

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A

M

A

G

T

A

A

A

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E

D

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E

R

V

A

A

I

V

E

V

A

A

D

R

K

R

A

A

L

F

-

R

P

N

A

N

W

W

R

S

A

A

L

T

T

S

A

G

K

A

E

H

R

R

A

A

N

T

K

Y

L

L

R

R

R

A

W

I

F

A

E

A

L

K

L

I

I

T

E

E

N

K

Q

K

D

D

D

H

L

F

G

V

R

K

L

L

M

E

T

T

L

I

E

D

Q

S

G

G

K

K

P

P

L

F

A

D

E

E

A

A

K

V

G

L

E

D

I

I

V

D

Y

D

A

V

A

A

S

S

F

C

I

F

E

E

W

Y

F

F

A

A

E

G

E

Q

A

A

K

E

R

A

I

L

Y

D

G

G

-

K

D

Q

V

K

I

A

P

P

G

V

H

T

Q

L

P

P

D

M

K

E

R

R

L

F

-

K

-

S

I

H

V

V

I

L

K

R

Q

Q

P

P

I

L

G

G

V

V

T

V

A

G

A

L

I
|
I

T
x
S

P
|
P

W
|
W

N
|
N

F

Y

P

P

A

L

M
|
M

I

A

T

T

R

W

K

K

A

I

G

A

P

P

A

A

L

L

A

A

G

G

C

C

T

T

M

A

V

V

I

L

K
|
K

P

P

A
x
S

S
x
E

Q

L

T

A

P

S

F

V

S

T

A

C

L

L

A

E

L

F

V

G

E

E

L

V

A

C

H

N

R

E

A

V

G

G

I

L

P

P

K

P

G

G

V

V

L

L

S

N

V

I

V

L

T

T

G

G

S

L

A
x
G

G

P

D

D

I

A

G
|
G

G
x
A

E

P

L

L

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V

S

S

N

H

P

P

I

D

V

V

R

D

K

K

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A

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|
T

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|
G

S
|
S

T

S

E

A

I
x
T

G

G

R

S

Q

K

L

V

M

M

A

A

E

S

C

A

A

A

K

Q

D

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K

K

P

V

V

S

T

L

L

E
|
E

L
|
L

G

G

N

K

A

S

P

P

F

I

I

V

V

V

F

F

D

E

D

D

A

V

D

D

L

I

D

D

K

K

A

V

V

V

E

E

G

W

A

T

I

I

I

F

S

G

K

C

Y

F

R

W

N

T

N

N

G

G

Q

Q

T

I

C
x
A

V

S

C

A

A

T

N

S

R

R

L

L

Y

L

I

V

Q

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D

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A

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F

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K

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L

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N

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I

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K

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N

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G

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C

T

R

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K

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A

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T

A

A

L

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S

K

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G

G

A

A

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T

L

I

L

L

A

Y

G

G

-

S

-

R

-

P

-

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K

H

V

L

M

K

E

K

G

G

N

Y

F

Y

F

I

E

E

P

P

T

T

I

I

L

V

T

T

N

D

V

I

P

S

K

T

D

S

A

M

A

Q

V

I

A

W

K

K

E

E

E
|
E

T

V

F
|
F

G

G

P

P

L

V

A

L

P

C

L

V

F

K

R

T

F

F

K

S

D

S

E

E

A

D

E

E

V

A

I

I

A

A

M

L

S

A

N

N

D

D

T

T

E

E

F

Y

G

G

L

L

A

A

S

A

Y

A

F

V

Y

F

A

S

R

N

D

D

L

L

G

E

R

R

V

C

F

E

R

R

V

I

A

T

E

K

A

A

L

L

E

E

Y

V

G

G

M

A

V

V

G

W

V

V

N

N

T

C

G

S

L

Q

I

P

S
x
C

N

F

E

V

V

Q

A

A

P

P

F
x
W

G

G

I

I

K

K

A

R

S

S

G

G

L

F

G

G

R

R

E
|
E

G

L

S

G

K

E

Y

W

G

G

I

I

E

Q

D

N

Y

Y

L

L

E

N

I

I

K

K

active site: N157 (= N157), K180 (= K180), E255 (= E255), A289 (≠ C289), E388 (= E384), E465 (= E461)
binding 3-aminopropan-1-ol: C448 (≠ S444), W454 (≠ F450)
binding nicotinamide-adenine-dinucleotide: I153 (= I153), S154 (≠ T154), P155 (= P155), W156 (= W156), N157 (= N157), M162 (= M162), K180 (= K180), S182 (≠ A182), E183 (≠ S183), G213 (≠ A213), G217 (= G217), A218 (≠ G218), T232 (= T232), G233 (= G233), S234 (= S234), T237 (≠ I237), E255 (= E255), L256 (= L256), A289 (≠ C289), E388 (= E384), F390 (= F386)

2opxA Crystal structure of lactaldehyde dehydrogenase from escherichia coli
38% identity, 97% coverage: 14:478/480 of query aligns to 8:475/477 of 2opxA

query
sites
2opxA

F

Y

I

I

D

D

G

G

A

Q

W

F

V

V

D

T

A

W

D

R

N

G

G

D

Q

A

T

W

L

I

K

D

V

V

N

V

N

N

P

P

A

A

T

T

G

E

E

A

I

V

L

I

G

S

T

R

V

I

P

P

K

D

M

G

G

Q

A

A

A

E

E

D

T

A

R

R

R

K

A

A

I

I

E

D

A

A

D

E

K

R

A

A

L

Q

P

P

A

E

W

W

R

E

A

A

L

L

T

P

A

A

K

I

E

E

R

R

A

A

N

S

K

W

L

L

R

R

R

K

W

I

F

S

E

A

L

G

L

I

I

R

E

E

N

R

Q

A

D

T

D

E

L

I

G

S

R

A

L

L

M

I

T

V

L

E

E

E

Q

G

G

G

K

K

P

I

L

Q

A

Q

E

L

A

A

K

E

G

V

E

E

I

V

V

A

Y
x
F

A

T

A

A

S

D

F

Y

I

I

E

D

W

Y

F

M

A

A

E

E

E

W

A

A

K

R

R

R

I

Y

Y

E

G

G

D

E

V

I

I

I

P

Q

G

S

H

D

Q

R

P

P

D

G

K

E

R

N

L

I

I

L

V

L

I

F

K

K

Q

R

P

A

I

L

G

G

V

V

T

T

A

T

A

G

I

I

T

L

P

P

W

W

N
|
N

F
|
F

P

P

A

F

M

L

I

I

T

A

R

R

K

K

A

M

G

A

P

P

A

A

L

L

A

L

A

T

G

G

C

N

T

T

M

I

V

V

I

I

K
|
K

P

P

A

S

S

E

Q

F

T

T

P

P

F

N

S

N

A

A

L

I

A

A

L

F

V

A

E

K

L

I

A

V

H

D

R

E

A

I

G

G

I

L

P

P

K

R

G

G

V

V

L

F

S

N

V

L

V

V

T

L

G

G

S

R

A

G

G

E

D

T

I

V

G

G

G

Q

E

E

L

L

T

A

S

G

N

N

P

P

I

K

V

V

R

A

K

M

L

V

S

S

F

M

T

T

G

G

S

S

T

V

E

S

I

A

G

G

R

E

Q

K

L

I

M

M

A

A

E

T

C

A

A

A

K

K

D

N

I

I

K

T

K

K

V

V

S

C

L

L

E
|
E

L

L

G

G

N

K

A

A

P

P

F

A

I

I

V

V

F

M

D

D

A

A

D

D

L

L

D

E

K

L

A

A

V

V

E

K

G

A

A

I

I

V

I

D

S

S

K

R

Y

V

R

I

N

N

N

S

G

G

Q

Q

T

V

C
|
C

V
x
N

C

C

A

A

N

E

R

R

L

V

Y

Y

I

V

Q

Q

D

K

S

G

V

I

Y

Y

D

D

A

Q

F

F

A

V

E

N

K

R

L

L

K

G

V

E

A

A

V

M

A

Q

K

A

L

V

K

Q

I
x
F

G
|
G

N

N

G

P

L

A

E

E

E
x
R

G

N

-
x
D

T
x
I

T
x
A

T

M

G

G

P

P

L

L

I

I

D

N

E

A

K

A

A

A

V

L

A

E

K

R

V

V

Q

E

E

Q

H

K

I

V

A

A

D

R

A

A

L

V

K

E

G

G

A

A

T

R

L

V

L

A

A

L

G

G

K

K

V

A

M

V

E

E

G

G

N

K

-

G

-

Y

F
x
Y

F

Y

E

P

P

P

T

T

I

L

L

L

T

L

N

D

V

V

P

R

K

Q

D

E

A

M

A

S

V

I

A

M

K

H

E

E

E
|
E

T

T

F

F

G

G

P

P

L

V

A

L

P

P

L

V

F

V

R

A

F

F

K

D

D

T

E

L

A

E

E

E

V

A

I

I

A

S

M

M

S

A

N

N

D

D

T

S

E

D

F

Y

G

G

L

L

A

T

S

S

Y

S

F

I

Y

Y

A

T

R

Q

D

N

L

L

G

N

R

V

V

A

F

M

R

K

V

A

A

I

E

K

A

G

L

L

E

K

Y

F

G

G

M

E

V

T

G

Y

V

I

N

N

T

R

G

E

L

N

I
x
F

S
x
E

N

A

E

M

V

Q

A

G

P

F

F

H

G

A

G

G

I

W

K

R

A

K

S

S

G

G

L

I

G

G

R

G

E
x
A

G

D

S

G

K

K

Y

H

G

G

I

L

E

H

D

E

Y

Y

L

L

E

Q

I

T

K

Q

Y

V

L

V

C

Y

L

L

active site: N151 (= N157), K174 (= K180), E249 (= E255), C283 (= C289), E381 (= E384), A458 (≠ E461)
binding (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid: F105 (≠ Y111), F152 (= F158), N284 (≠ V290), F312 (≠ I318), G313 (= G319), R318 (≠ E324), D320 (vs. gap), I321 (≠ T326), A322 (≠ T327), Y362 (≠ F365), F440 (≠ I443), F440 (≠ I443), E441 (≠ S444)

2impA Crystal structure of lactaldehyde dehydrogenase from e. Coli: the ternary complex with lactate (occupancy 0.5) and nadh. Crystals soaked with (l)-lactate. (see paper)
37% identity, 97% coverage: 14:478/480 of query aligns to 8:475/477 of 2impA

query
sites
2impA

F

Y

I

I

D

D

G

G

A

Q

W

F

V

V

D

T

A

W

D

R

N

G

G

D

Q

A

T

W

L

I

K

D

V

V

N

V

N

N

P

P

A

A

T

T

G

E

E

A

I

V

L

I

G

S

T

R

V

I

P

P

K

D

M

G

G

Q

A

A

A

E

E

D

T

A

R

R

R

K

A

A

I

I

E

D

A

A

D

E

K

R

A

A

L

Q

P

P

A

E

W

W

R

E

A

A

L

L

T

P

A

A

K

I

E

E

R

R

A

A

N

S

K

W

L

L

R

R

R

K

W

I

F

S

E

A

L

G

L

I

I

R

E

E

N

R

Q

A

D

S

D

E

L

I

G

S

R

A

L

L

M

I

T

V

L

E

E

E

Q

G

G

G

K

K

P

I

L

Q

A

Q

E

L

A

A

K

E

G

V

E

E

I

V

V

A

Y

F

A

T

A

A

S

D

F

Y

I

I

E

D

W

Y

F

M

A

A

E

E

E

W

A

A

K

R

R

R

I

Y

Y

E

G

G

D

E

V

I

I

I

P

Q

G

S

H

D

Q

R

P

P

D

G

K

E

R

N

L

I

I

L

V

L

I

F

K

K

Q

R

P

A

I

L

G

G

V

V

T

T

A

T

A

G

I
|
I

T
x
L

P
|
P

W
|
W

N
|
N

F

F

P

P

A

F

M

L

I

I

T

A

R

R

K

K

A

M

G

A

P

P

A

A

L

L

A

L

A

T

G

G

C

N

T

T

M

I

V

V

I

I

K
|
K

P

P

A

S

S
x
E

Q
x
F

T

T

P

P

F

N

S

N

A

A

L

I

A

A

L

F

V

A

E

K

L

I

A

V

H

D

R

E

A

I

G

G

I

L

P

P

K

R

G

G

V

V

L

F

S

N

V

L

V

V

T

L

G

G

S

R

A
x
G

G

E

D

T

I

V

G
|
G

G
x
Q

E

E

L

L

T

A

S

G

N

N

P

P

I

K

V

V

R

A

K

M

L

V

S

S

F

M

T

T

G

G

S
|
S

T

V

E

S

I
x
A

G

G

R

E

Q
x
K

L

I

M

M

A

A

E

T

C

A

A

A

K

K

D

N

I

I

K

T

K

K

V

V

S

C

L

L

E
|
E

L

L

G

G

N

K

A

A

P

P

F

A

I

I

V

V

F

M

D

D

A

A

D

D

L

L

D

E

K

L

A

A

V

V

E

K

G

A

A

I

I

V

I

D

S

S

K

R

Y

V

R

I

N

N

N

S

G

G

Q

Q

T

V

C
|
C

V

N

C

C

A

A

N

E

R

R

L

V

Y

Y

I

V

Q

Q

D

K

S

G

V

I

Y

Y

D

D

A

Q

F

F

A

V

E

N

K

R

L

L

K

G

V

E

A

A

V

M

A

Q

K

A

L

V

K

Q

I

F

G

G

N

N

G

P

L

A

E

E

E

R

G

N

-

D

T

I

T

A

T

M

G

G

P

P

L

L

I

I

D

N

E

A

K

A

A

A

V

L

A

E

K
x
R

V

V

Q

E

E

Q

H

K

I

V

A

A

D

R

A

A

L

V

K

E

G

G

A

A

T

R

L

V

L

A

A

F

G

G

K

K

V

A

M

V

E

E

G

G

N

K

-

G

-

Y

F

Y

E

P

P

P

T

T

I

L

L

L

T

L

N

D

V

V

P

R

K

Q

D

E

A

M

A

S

V

I

A

M

K

H

E

E

E
|
E

T

T

F

F

G

G

P

P

L

V

A

L

P

P

L

V

F

V

R

A

F

F

K

D

D

T

E

L

A

E

E

D

V

A

I

I

A

S

M

M

S

A

N

N

D

D

T

S

E

D

F

Y

G

G

L

L

A

T

S

S

Y

S

F

I

Y

Y

A

T

R

Q

D

N

L

L

G

N

R

V

V

A

F

M

R

K

V

A

A

I

E

K

A

G

L

L

E

K

Y

F

G

G

M

E

V

T

G

Y

V

I

N

N

T

R

G

E

L

N

I

F

S

E

N

A

E

M

V

Q

A

G

P

F

F

H

G

A

G

G

I

W

K

R

A

K

S

S

G

G

L

I

G

G

R

G

E
x
A

G

D

S

G

K

K

Y

H

G

G

I

L

E

H

D

E

Y

Y

L

L

E

Q

I

T

K

Q

Y

V

L

V

C

Y

L

L

active site: N151 (= N157), K174 (= K180), E249 (= E255), C283 (= C289), E381 (= E384), A458 (≠ E461)
binding 1,4-dihydronicotinamide adenine dinucleotide: I147 (= I153), L148 (≠ T154), P149 (= P155), W150 (= W156), K174 (= K180), E177 (≠ S183), F178 (≠ Q184), G207 (≠ A213), G211 (= G217), Q212 (≠ G218), S228 (= S234), A231 (≠ I237), K234 (≠ Q240), R334 (≠ K339)

2iluA Crystal structure of lactaldehyde dehydrogenase from e. Coli: the binary complex with NADPH (see paper)
37% identity, 97% coverage: 14:478/480 of query aligns to 8:475/477 of 2iluA

query
sites
2iluA

F

Y

I

I

D

D

G

G

A

Q

W

F

V

V

D

T

A

W

D

R

N

G

G

D

Q

A

T

W

L

I

K

D

V

V

N

V

N

N

P

P

A

A

T

T

G

E

E

A

I

V

L

I

G

S

T

R

V

I

P

P

K

D

M

G

G

Q

A

A

A

E

E

D

T

A

R

R

R

K

A

A

I

I

E

D

A

A

D

E

K

R

A

A

L

Q

P

P

A

E

W

W

R

E

A

A

L

L

T

P

A

A

K

I

E

E

R

R

A

A

N

S

K

W

L

L

R

R

R

K

W

I

F

S

E

A

L

G

L

I

I

R

E

E

N

R

Q

A

D

S

D

E

L

I

G

S

R

A

L

L

M

I

T

V

L

E

E

E

Q

G

G

G

K

K

P

I

L

Q

A

Q

E

L

A

A

K

E

G

V

E

E

I

V

V

A

Y

F

A

T

A

A

S

D

F

Y

I

I

E

D

W

Y

F

M

A

A

E

E

E

W

A

A

K

R

R

R

I

Y

Y

E

G

G

D

E

V

I

I

I

P

Q

G

S

H

D

Q

R

P

P

D

G

K

E

R

N

L

I

I

L

V

L

I

F

K

K

Q

R

P

A

I

L

G

G

V

V

T

T

A

T

A

G

I
|
I

T
x
L

P
|
P

W
|
W

N
|
N

F

F

P

P

A

F

M

L

I

I

T

A

R

R

K

K

A

M

G

A

P

P

A

A

L

L

A

L

A

T

G

G

C

N

T

T

M

I

V

V

I

I

K
|
K

P

P

A
x
S

S
x
E

Q

F

T

T

P

P

F

N

S

N

A

A

L

I

A

A

L

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active site: N151 (= N157), K174 (= K180), E249 (= E255), C283 (= C289), E381 (= E384), A458 (≠ E461)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I147 (= I153), L148 (≠ T154), P149 (= P155), W150 (= W156), K174 (= K180), S176 (≠ A182), E177 (≠ S183), R206 (≠ S212), G207 (≠ A213), G211 (= G217), Q212 (≠ G218), S228 (= S234), A231 (≠ I237), K234 (≠ Q240), I235 (≠ L241), N328 (≠ D333), R334 (≠ K339), F383 (= F386)

P25553 Lactaldehyde dehydrogenase; Aldehyde dehydrogenase A; Glycolaldehyde dehydrogenase; EC 1.2.1.22; EC 1.2.1.21 from Escherichia coli (strain K12) (see 5 papers)
37% identity, 97% coverage: 14:478/480 of query aligns to 10:477/479 of P25553

query
sites
P25553

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L150 (≠ T154) binding NAD(+)
R161 (= R165) binding (S)-lactate
KPSE 176:179 (≠ KPAS 180:183) binding NAD(+)
F180 (≠ Q184) mutation to T: Can bind and use NADP(+) as coenzyme. 16-fold increase in catalytic efficiency with NAD(+) as coenzyme.
Q214 (≠ G218) binding NAD(+)
S230 (= S234) binding NAD(+)
E251 (= E255) binding (S)-lactate
N286 (≠ V290) binding (S)-lactate; mutation to E: 4-fold increase in catalytic efficiency with L-lactaldehyde as substrate. Shows expanded substrate specificity.; mutation to H: 15-fold increase in catalytic efficiency with L-lactaldehyde as substrate. Shows expanded substrate specificity.; mutation to T: 6-fold increase in catalytic efficiency with L-lactaldehyde as substrate. Shows expanded substrate specificity.
R336 (≠ K339) binding NAD(+)
E443 (≠ S444) binding (S)-lactate
H449 (≠ F450) binding (S)-lactate

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

Query Sequence

>GFF178 FitnessBrowser__WCS417:GFF178
MQLKDAQLFRQQAFIDGAWVDADNGQTLKVNNPATGEILGTVPKMGAAETRRAIEAADKA
LPAWRALTAKERANKLRRWFELLIENQDDLGRLMTLEQGKPLAEAKGEIVYAASFIEWFA
EEAKRIYGDVIPGHQPDKRLIVIKQPIGVTAAITPWNFPAAMITRKAGPALAAGCTMVIK
PASQTPFSALALVELAHRAGIPKGVLSVVTGSAGDIGGELTSNPIVRKLSFTGSTEIGRQ
LMAECAKDIKKVSLELGGNAPFIVFDDADLDKAVEGAIISKYRNNGQTCVCANRLYIQDS
VYDAFAEKLKVAVAKLKIGNGLEEGTTTGPLIDEKAVAKVQEHIADALKKGATLLAGGKV
MEGNFFEPTILTNVPKDAAVAKEETFGPLAPLFRFKDEAEVIAMSNDTEFGLASYFYARD
LGRVFRVAEALEYGMVGVNTGLISNEVAPFGGIKASGLGREGSKYGIEDYLEIKYLCLGI

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