SitesBLAST

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)
50% identity, 95% coverage: 20:491/495 of query aligns to 9:478/482 of P25526

query
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P25526

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WN 156:157 (= WN 167:168) binding NADP(+)
KPAS 180:183 (= KPAS 191:194) binding NADP(+)
GS 233:234 (= GS 245:246) binding NADP(+)
L256 (= L268) binding NADP(+)
E386 (= E398) binding NADP(+)

8of1A Structure of aldh5f1 from moss physcomitrium patens in complex with NAD+ in the contracted conformation
47% identity, 96% coverage: 16:491/495 of query aligns to 22:495/505 of 8of1A

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8of1A

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binding nicotinamide-adenine-dinucleotide: I170 (= I164), A171 (≠ T165), P172 (= P166), W173 (= W167), K197 (= K191), A230 (≠ T224), F248 (= F243), G250 (= G245), S251 (= S246), V254 (= V249), M257 (= M252), L273 (= L268), C306 (= C301), K356 (= K351), E403 (= E398), F405 (= F400)

8c54A Cryo-em structure of nadh bound sla dehydrogenase rlgabd from rhizobium leguminosarum bv. Trifolii srd1565 (see paper)
49% identity, 95% coverage: 25:492/495 of query aligns to 13:478/482 of 8c54A

query
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8c54A

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G

G

G

F

T

F

F

Y

F

R

E

P

P

T

T

V

V

L

V

V

T

D

G

V

V

S

T

P

Q

A

T

S

M

D

K

M

V

G

A

C

K

E

E

I

T

F

F

G

A

P

P

V

L

A

A

P

P

L

I

Y

I

R

S

F

F

E

K

S

H

E

E

A

N

E

D

V

V

I

I

A

A

A

M

A

A

N

N

D

D

T

S

E

E

Y

F

G

G

L

L

A

A

A

S

Y

Y

I

F

Y

Y

T

A

R

K

D

D

I

M

G

A

R

R

G

I

M

W

R

R

V

V

A

A

S

E

K

A

I

L

E

E

A

A

G

G

M

M

I

V

A

G

L

V

N

N

R

T

G

G

L

M

V

I

S

A

D

N

P

E

A

M

A

A

P

P

F

F

G

G

V

I

K

K

Q

Q

S

S

G

G

L

T

G

G

R

R

E

E

G

G

G

S

Q

K

H

-

H

Y

G

G

I

I

A

E

E

G

F

F

M

L

E

E

A

L

K

K

Y

Y

I

V

A

A

binding 1,4-dihydronicotinamide adenine dinucleotide: I152 (= I164), T153 (= T165), P154 (= P166), K179 (= K191), A212 (≠ T224), K213 (≠ P225), F230 (= F243), T231 (= T244), G232 (= G245), S233 (= S246), V236 (= V249), W239 (≠ M252), G256 (= G269)

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)
48% identity, 95% coverage: 25:492/495 of query aligns to 64:531/535 of P51649

query
sites
P51649

Y

F

I

V

G

G

A

R

W

W

R

L

P

P

A

A

G

A

E

T

G

-

R

-

I

F

E

P

V

V

I

Q

D

D

P

P

S

A

T

S

E

G

A

A

V

A

I

L

A

G

A

M

V

V

P

A

D

D

A
x
C

T

G

L

V

A

R

D

E

A

A

A

R

A

A

V

V

E

R

A

A

A

Y

S

E

A

A

A

F

E

C

S

R

W

W

R

R

E

E

T

V

P

S

P

A

R

K

K

E

R

R

S

S

E

S

I

L

L

L

R

R

R

K

C

W

F

Y

E

N

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M

M

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R

N

S

K

E

D

T

D

L

L

A

A

R

R

L

I

I

I

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T

L

A

E

E

N

S

G

G

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K

A

P

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L

R

K

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E

A

A

R

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G

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V

I

A

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Y

Y

A

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A

A

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F

F

F

F

L

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E

W

W

N

F

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E

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A

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R

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R

I

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S

Y

G
|
G

E

D

F

I

G

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x
H

A

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P
|
P

A

A

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K

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D

N

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I

G

G

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A

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A

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I

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T

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P

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W

N

N

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F

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P

A

S

A

A

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M

A

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R

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P

A

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G

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C
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C

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P

A
|
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x
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T

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P

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A
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A

Y

L

A

A

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L

A

A

A

E

L

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Y

A

E

S

E

Q

A

A

G

G

V

I

P

P

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S

G

G

V

V

V

Y

N
|
N

V

V

M

I

T

P

T

C

S

S

T

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P

K

G

N

-

A

-

K

P

E

V

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I
x
G

A

E

A

A

M

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C

A

T

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x
T

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x
T

G
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G

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K

M

I

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L

A

H

E

H

A

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K

N

N

S

V

V

I

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C

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E

E

L

L

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L

A

A

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P

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I

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F

F

D

D

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A

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N

I

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Q

A

A

I

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E

A

G

G

L

A

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M

V

A

A

S

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K

M

F

R
|
R

N
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N

A

T

G

G

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A

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C
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C

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A
x
C

A

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N

N

R

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I

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Y

L

I

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Q

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R

G

G

I

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A

A

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V

K

K

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A

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A

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R

A

M

M

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-

N

L

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x
N

G

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D

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G

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P

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K

A

A

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V

E

E

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K

R

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L

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G

N

F

F

Y

-

R

E

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L

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N

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P

-

A

-

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M

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G

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C

-

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-

H

E

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I

T

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A

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F

E

D

S

T

E

E

A

E

E

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V

A

I

I

A

A

A

I

A

A

N

N

D

A

T

A

E

D

Y

V

G

G

L

L

A

A

A

G

Y

Y

I

F

Y

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T

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D

D

I

P

G

A

R

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W

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V

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K

Q

I

L

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E

A

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G

M

M

I

V

A

G

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N

N

R

E

G

G

L

L

V

I

S
|
S

D

S

P

V

A

E

A

C

P

P

F

F

G

G

V

V

K

K

Q

Q

S

S

G

G

L

L

G

G

R

R

E

E

G

G

G

S

Q

K

H

-

H

Y

G

G

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Y

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C

C93 (≠ A56) to F: in SSADHD; 3% of activity; dbSNP:rs765561257
G176 (= G139) to R: in SSADHD; <1% of activity; dbSNP:rs72552281
H180 (≠ L143) to Y: 83% of activity; dbSNP:rs2760118
P182 (= P145) to L: 48% of activity; dbSNP:rs3765310
R213 (= R176) binding substrate; mutation to A: Reduces catalytic activity to less than 15% of wild-type.
C223 (= C186) to Y: in SSADHD; 5% of activity; dbSNP:rs72552282
KPAE 228:231 (≠ KPAS 191:194) binding NAD(+)
T233 (= T196) to M: in SSADHD; 4% of activity; dbSNP:rs1326526453
A237 (= A200) to S: 65% of activity; dbSNP:rs62621664
N255 (= N218) to S: in SSADHD; 17% of activity; dbSNP:rs145087265
G268 (≠ I229) to E: in SSADHD; <1% of activity; dbSNP:rs375628463
GSTTTG 284:289 (≠ GSTGVG 245:250) binding NAD(+)
R334 (= R295) binding substrate; mutation to A: Reduces catalytic activity to less than 15% of wild-type.
N335 (= N296) to K: in SSADHD; 1% of activity; dbSNP:rs72552283
C340 (= C301) modified: Disulfide link with 342, In inhibited form
C342 (≠ A303) modified: Disulfide link with 340, In inhibited form; mutation to A: Loss of regulation by redox state.
N372 (≠ S332) natural variant: N -> S
P382 (= P342) to L: in SSADHD; 2% of activity
V406 (= V366) to I: in dbSNP:rs143741652
G409 (= G369) to D: in SSADHD; <1% of activity; dbSNP:rs118203984
S498 (= S458) binding substrate; mutation to A: Reduces catalytic activity to less than 15% of wild-type.

Sites not aligning to the query:

36 G → R: no effect on succinate-semialdehyde dehydrogenase activity; dbSNP:rs4646832
533 G → R: in SSADHD; <1% of activity; dbSNP:rs72552284

2w8rA The crystal structure of human ssadh in complex with NAD+ (see paper)
48% identity, 94% coverage: 25:491/495 of query aligns to 14:480/485 of 2w8rA

query
sites
2w8rA

Y

F

I

V

G

G

A

R

W

W

R

L

P

P

A

A

G

A

E

T

G

-

R

-

I

F

E

P

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V

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Q

D

D

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A

T

S

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G

A

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A

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A

M

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L

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A

R

D

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A

A

A

R

A

A

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V

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R

A

A

A

Y

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E

A

A

A

F

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R

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W

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E

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P

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K

E

R

R

S

S

E

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I

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L

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C

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A

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I

A

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Y

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A

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F

F

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F

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W

W

N

F

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Y

G

G

E

D

F

I

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A

A

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G

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N

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I

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L

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K

Q

Q

P

P

I

I

G

G

I

V

C

A

V

A

L

V

I

I

T
|
T

P

P

W

W

N
|
N

F

F

P

P

A

S

A

A

M

M

A

I

T

T

R

R

K

K

I

V

A

G

P

A

A

A

L

L

A

A

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G

C

C

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T

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K
|
K

P

P

A

A

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E

E

D

T

T

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P

L

F

T

S

A

A

Y

L

A

A

L

L

A

A

A

E

L

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Y

A

E

S

E

Q

A

A

G

G

V

I

P

P

P

S

G

G

V

V

V

Y

N

N

V

V

M

I

T

P

T

C

S

S

T

R

P

K

G

N

-
x
A

-

K

P

E

V

V

I

G

A

E

A

A

M

I

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C

A

T

D

D

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P

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K

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S

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|
S

T

T

G

T

V
x
T

G

G

R

K

M

I

L

L

A

H

E

H

A

A

K

N

N

S

V

V

I

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S

R

C

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S

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M

M

E
|
E

L

L

G

G

N

L

A

A

P

P

F

F

V

I

V

V

F

F

D

D

D

S

A

A

D

N

I

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D

D

A

Q

A

A

I

V

E

A

G

G

L

A

M

M

V

A

A

S

K

K

M

F

R

R

N

N

A

T

G

G

E

Q

A

T

C
x
A

T

V

A

C

A

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N

N

R

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Y

L

I

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Q

Q

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G

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A

A

F

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A

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K

K

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A

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A

M

M

A

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-

N

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L

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N

G

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A

E

D

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A

A

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E

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A

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K

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L

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|
E

I

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A

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F

F

E

D

S

T

E

E

A

E

E

E

V

A

I

I

A

A

A

I

A

A

N

N

D

A

T

A

E

D

Y

V

G

G

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L

A

A

A

G

Y

Y

I

F

Y

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D

D

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G

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R

Q

G

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W

R

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K

Q

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E

E

A

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A

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N

N

R

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A

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F

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G

G

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L

G

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|
E

G

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-

H

Y

G

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E

E

A

L

K

K

Y

Y

I

V

active site: N155 (= N168), K178 (= K191), E256 (= E267), A290 (≠ C301), E388 (= E398), E465 (= E475)
binding adenosine-5'-diphosphate: T152 (= T165), K178 (= K191), A214 (vs. gap), S235 (= S246), T238 (≠ V249)

2w8qA The crystal structure of human ssadh in complex with ssa. (see paper)
48% identity, 94% coverage: 25:491/495 of query aligns to 14:480/485 of 2w8qA

query
sites
2w8qA

Y

F

I

V

G

G

A

R

W

W

R

L

P

P

A

A

G

A

E

T

G

-

R

-

I

F

E

P

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V

I

Q

D

D

P

P

S

A

T

S

E

G

A

A

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A

I

L

A

G

A

M

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A

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G

L

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A

R

D

E

A

A

A

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A

A

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V

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R

A

A

A

Y

S

E

A

A

A

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E

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W

W

R

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E

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P

A

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K

E

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R

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L

L

R

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C

W

F

Y

E

N

L

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E

D

T

D

L

L

A

A

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R

L

I

I

I

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T

L

A

E

E

N

S

G

G

K

K

A

P

L

L

R

K

D

E

A

A

R

H

G

G

E

E

V

I

A

L

Y

Y

A

S

A

A

E

F

F

F

F

L

R

E

W

W

N

F

A

S

E

E

A

A

V

R

R

R

I

V

S

Y

G

G

E

D

F

I

G

I

L

H

A

T

P

P

A

A

G

K

G

D

N

R

R

R

I

A

V

L

V

V

D

L

Y

K

Q

Q

P

P

I

I

G

G

I

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C

A

V

A

L

V

I

I

T

T

P

P

W

W

N
|
N

F

F

P

P

A

S

A

A

M

M

A

I

T

T

R
|
R

K

K

I

V

A

G

P

A

A

A

L

L

A

A

G

G

C

C

T

T

V

V

I

V

L

V

K
|
K

P

P

A

A

S

E

E

D

T

T

P

P

L

F

T

S

A

A

Y

L

A

A

L

L

A

A

A

E

L

L

Y

A

E

S

E

Q

A

A

G

G

V

I

P

P

P

S

G

G

V

V

V

Y

N

N

V

V

M

I

T

P

T

C

S

S

T

R

P

K

G

N

-

A

-

K

P

E

V

V

I

G

A

E

A

A

M

I

L

C

A

T

D

D

P

P

R

L

V

V

R

S

K

K

L

I

S

S

F

F

T

T

G

G

S

S

T

T

G

T

V

T

G

G

R

K

M

I

L

L

A

H

E

H

A

A

K

N

N

S

V

V

I

K

S

R

C

V

S

S

M

M

E
|
E

L

L

G

G

N

L

A

A

P

P

F

F

V

I

V

V

F

F

D

D

D

S

A

A

D

N

I

V

D

D

A

Q

A

A

I

V

E

A

G

G

L

A

M

M

V

A

A

S

K

K

M

F

R
|
R

N

N

A

T

G

G

E

Q

A

T

C
x
A

T

V

A

C

A

S

N

N

R

Q

I

F

Y

L

I

V

Q

Q

S

R

G

G

I

I

H

H

D

D

A

A

F

F

A

V

K

K

K

A

F

F

T

A

Q

E

R

A

M

M

A

K

-

N

L

L

N

R

V

V

G

G

S

N

G

G

V

F

D

E

A

E

D

G

T

T

E

T

C

Q

G

G

P

P

M

L

I

I

T

N

R

E

K

K

A

A

V

V

E

E

K

K

I

V

E

E

R

K

L

Q

V

V

E

N

D

D

A

A

I

V

S

S

R

K

G

G

A

A

R

T

V

V

L

V

C

T

G

G

-

K

R

R

S

H

L

Q

A

L

G

G

R

K

G

N

F

F

Y

-

R

E

P

P

T

T

V

L

L

L

V

C

D

N

V

V

S

T

P

-

A

-

S

Q

D

D

M

M

G

L

C

C

-

T

-

H

E

E

E
|
E

I

T

F

F

G

G

P

P

V

L

A

A

P

P

L

V

Y

I

R

K

F

F

E

D

S

T

E

E

A

E

E

E

V

A

I

I

A

A

A

I

A

A

N

N

D

A

T

A

E

D

Y

V

G

G

L

L

A

A

A

G

Y

Y

I

F

Y

Y

T

S

R

Q

D

D

I

P

G

A

R

Q

G

I

M

W

R

R

V

V

A

A

S

E

K

Q

I

L

E

E

A

V

G

G

M

M

I

V

A

G

L

V

N

N

R

E

G

G

L

L

V

I

S
|
S

D

S

P

V

A

E

A

C

P

P

F

F

G

G

V

V

K

K

Q

Q

S

S

G

G

L

L

G

G

R

R

E
|
E

G

G

G

S

Q

K

H

-

H

Y

G

G

I

I

A

D

E

E

F

Y

M

L

E

E

A

L

K

K

Y

Y

I

V

active site: N155 (= N168), K178 (= K191), E256 (= E267), A290 (≠ C301), E388 (= E398), E465 (= E475)
binding succinic acid: R163 (= R176), R284 (= R295), A290 (≠ C301), S448 (= S458)

6j76A Structure of 3,6-anhydro-l-galactose dehydrogenase in complex with nap (see paper)
36% identity, 95% coverage: 24:495/495 of query aligns to 4:477/477 of 6j76A

query
sites
6j76A

L

M

Y

Y

I

V

G

G

A

E

W

W

R

I

P

D

A

A

A

S

G

N

E

G

G

Q

R

T

I

E

E

P

V

V

I

V

D

S

P

P

S

I

T

N

E

E

A

E

V

V

I

L

A

A

A

Y

V

I

P

Q

D

D

A

A

T

D

L

A

A

S

D

D

A

A

A

E

A

R

A

V

V

L

E

A

A

V

A

A

A

T

S

T

A

A

A

Q

E

K

S

E

W

W

R

A

E

K

T

Q

P

P

P

A

R

R

K

Q

R

R

S

A

E

E

I

V

L

L

R

R

R

K

C

F

F

A

E

Q

L

L

M

I

V

R

E

D

R

N

S

K

E

Q

T

Y

L

L

A

A

R

E

L

L

I

L

S

V

L

K

E

E

N

Q

G

G

K

K

A

L

L

L

R

K

D

V

A

A

R

L

G

G

E

E

V

V

A

E

Y

A

A

T

A

S

E

T

F

F

F

I

R

E

W

Y

N

A

A

C

E

D

E

W

A

A

V

R

R

Q

I

M

S

D

G

G

E

D

F

I

G

V

L

K

A

S

P

D

A

N

G

A

G

N

N

E

R

Q

I

I

V

M

V

I

D

H

Y

K

Q

I

P

P

I

R

G

G

I

V

C

V

V

V

L

A

I
|
I

T
|
T

P
x
A

W
|
W

N
|
N

F

F

P

P

A

L

A

A

M

L

A

A

T

G

R

R

K

K

I

I

A

G

P

P

A

A

L

L

A

V

A

A

G

G

C

N

T

S

V

I

I

V

L

V

K
|
K

P

P

A
x
T

S
|
S

E

E

T

T

P

P

L

L

T

A

A

T

Y

L

A

E

L

L

A

G

A

Y

L

L

Y

A

E

E

E

Q

A

A

G

G

V

I

P

P

P

A

G

G

V

V

V

L

N

N

V

I

M

V

T

T

T

G

S

G

T

-

P

-

G
|
G

P

R

V

T

I

L

A
x
G

A

N

M

E

L

L

A

V

D

G

P

H

R

R

V

M

R

T

K

N

L

M

-

V

S

S

F

M

T
|
T

G
|
G

S
|
S

T

T

G

P

V
x
A

G

G

R

Q

M
x
S

L
x
I

L

I

A

R

E

A

A

S

A

A

K

N

N

N

V

M

I

A

S

H

C

V

S

Q

M

L

E
|
E

L
|
L

G

G

N

K

A

A

P

P

F

F

V

I

V

V

F

M

D

E

D

D

A

A

D

D

I

L

D

E

A

Q

A

A

I

A

E

A

G

A

L

A

M

L

V

H

A

S

K

R

M

F

R

D

N

N

A

C

G

G

E

Q

A

V

C
|
C

T

T

A

C

A

N

N

E

R

R

I

M

Y

Y

I

V

Q

H

S

G

G

A

I

V

H

Y

D

D

A

E

F

F

A

M

K

R

K

I

F

F

T

M

Q

G

R

K

M

V

A

E

A

A

L

I

N

K

V

V

G

G

S

D

G

P

V

M

D

D

A

P

D

A

T

S

E

D

C

M

G

G

P

P

M

K

I

V

T

N

R

A

K

N

A

E

V

L

E

A

K

H

I

M

E

E

R

E

L

L

V

V

E

A

D

E

A

A

I

V

S

D

R

E

G

G

A

A

R

T

V

V

L

L

C

F

G

G

R

K

S

K

L

L

A

E

G

G

-

P

-

E

-

F

-

E

R

K

G

G

F

F

F

W

Y

F

R

E

P

P

T

T

V

V

L

L

V

T

D

N

V

V

S

T

P

Q

A

D

S

M

D

T

M

I

G

V

C

H

E

E

E
|
E

I

S

F
|
F

G

G

P

P

V

I

A

L

P

P

L

V

Y

I

R

K

F

F

E

D

S

S

E

F

A

D

E

E

V

V

I

I

A

E

A

Y

A

A

N

N

D

D

T

S

E

D

Y

Y

G

G

L

L

A

A

Y

M

I

I

Y

C

T

T

R

Q

D

N

I

M

G

H

R

Y

G

I

M

N

R

R

V

L

A

L

S

T

K

E

I

L

E

E

A

S

G

G

M

E

I

I

A

Y

L

V

N

N

R

R

G

G

L

H

V

G

S

E

D

Q

P

H

A

Q

A

G

P

F

F
x
H

G

N

G

G

V

Y

K

K

Q

L

S

S

G

G

L

T

G

G

R

G

E
|
E

G

D

G

G

Q

K

H

-

H

Y

G

G

I

F

A

E

E

Q

F

Y

M

L

E

E

A

K

K

K

Y

T

I

F

A

Y

T

I

S

N

F

Y

active site: N148 (= N168), E246 (= E267), C280 (= C301), E458 (= E475)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I144 (= I164), T145 (= T165), A146 (≠ P166), W147 (= W167), N148 (= N168), K171 (= K191), T173 (≠ A193), S174 (= S194), G204 (= G226), G208 (≠ A230), T223 (= T244), G224 (= G245), S225 (= S246), A228 (≠ V249), S231 (≠ M252), I232 (≠ L253), E246 (= E267), L247 (= L268), C280 (= C301), E381 (= E398), F383 (= F400), H447 (≠ F464)

2opxA Crystal structure of lactaldehyde dehydrogenase from escherichia coli
36% identity, 95% coverage: 24:491/495 of query aligns to 7:473/477 of 2opxA

query
sites
2opxA

L

M

Y

Y

I

I

G

D

G

G

A

Q

W

F

R

V

P

T

A

W

A

R

G

G

E

D

G

A

R

W

I

I

E

D

V

V

I

V

D

N

P

P

S

A

T

T

E

E

A

A

V

V

I

I

A

S

A

R

V

I

P

P

D

D

A

G

T

Q

L

A

A

E

D

D

A

A

A

R

A

K

A

A

V

I

E

D

A

A

A

E

S

R

A

A

A

Q

E

P

S

E

W

W

R

E

E

A

T

L

P

P

P

A

R

I

K

E

R

R

S

A

E

S

I

W

L

L

R

R

R

K

C

I

F

S

E

A

L

G

M

I

V

R

E

E

R

R

S

A

E

T

T

E

L

I

A

S

R

A

L

L

I

I

S

V

L

E

E

E

N

G

G

G

K

K

A

I

L

Q

R

Q

D

L

A

A

R

E

G

V

E

E

V

V

A

A

Y
x
F

A

T

A

A

E

D

F

Y

F

I

R

D

W

Y

N

M

A

A

E

E

E

W

A

A

V

R

R

R

I

Y

S

E

G

G

E

E

F

I

G

I

L

Q

A

S

P

D

A

R

G

P

G

G

N

E

R

N

I

I

V

L

D

F

Y

K

Q

R

P

A

I

L

G

G

I

V

C

T

V

T

L

G

I

I

T

L

P

P

W

W

N
|
N

F
|
F

P

P

A

F

M

L

A

I

T

A

R

R

K

K

I

M

A

A

P

P

A

A

L

L

A

L

A

T

G

G

C

N

T

T

V

I

I

V

L

I

K
|
K

P

P

A

S

S

E

E

F

T

T

P

P

L

N

T

N

A

A

Y

I

A

A

L

F

A

A

A

K

L

I

Y

V

E

D

E

E

A

I

G

G

V

L

P

P

P

R

G

G

V

V

V

F

N

N

V

L

M

V

T

L

T

G

S

R

T

-

P

-

G

G

P

E

V

T

I

V

A

G

A

Q

M

E

L

L

A

A

-

G

D

N

P

P

R

K

V

V

R

A

K

M

L

V

S

S

F

M

T

T

G

G

S

S

T

V

G

S

V

A

G

G

R

E

M

K

L

I

L

M

A

A

E

T

A

A

K

K

N

N

V

I

I

T

S

K

C

V

S

C

M

L

E
|
E

L

L

G

G

N

K

A

A

P

P

F

A

V

I

V

V

F

M

D

D

A

A

D

D

I

L

D

E

A

L

A

A

I

V

E

K

G

A

L

I

M

V

V

D

A

S

K

R

M

V

R

I

N

N

A

S

G

G

E

Q

A

V

C
|
C

T
x
N

A

C

A

A

N

E

R

R

I

V

Y

Y

I

V

Q

Q

S

K

G

G

I

I

H

Y

D

D

A

Q

F

F

A

V

K

N

K

R

F

L

T

G

Q

E

R

A

M

M

A

Q

A

A

L

V

N

Q

V
x
F

G
|
G

S

N

G

P

V

A

D

E

-
x
R

A

N

D
|
D

T
x
I

E
x
A

C

M

G

G

P

P

M

L

I

I

T

N

R

A

K

A

A

A

V

L

E

E

K

R

I

V

E

E

R

Q

L

K

V

V

E

A

D

R

A

A

I

V

S

E

R

E

G

G

A

A

R

R

V

V

L

A

C

L

G

G

R

K

S

A

L

V

A

E

G

G

R

K

G

G

F

Y

F
x
Y

Y

Y

R

P

P

P

T

T

V

L

L

L

V

L

D

D

V

V

S

R

P

Q

A

E

S

M

D

S

M

I

G

M

C

H

E

E

E
|
E

I

T

F

F

G

G

P

P

V

V

A

L

P

P

L

V

Y

V

R

A

F

F

E

D

S

T

E

L

A

E

E

E

V

A

I

I

A

S

A

M

A

A

N

N

D

D

T

S

E

D

Y

Y

G

G

L

L

A

T

A

S

Y

S

I

I

Y

Y

T

T

R

Q

D

N

I

L

G

N

R

V

G

A

M

M

R

K

V

A

A

I

S

K

K

G

I

L

E

K

A

F

G

G

M

E

I

T

A

Y

L

I

N

N

R

R

G

E

L

N

V
x
F

S
x
E

D

A

P

M

A

Q

A

G

P

F

F

H

G

A

G

G

V

W

K

R

Q

K

S

S

G

G

L

I

G

G

R

G

E
x
A

G

D

G

G

Q

K

H

-

H

H

G

G

I

L

A

H

E

E

F

Y

M

L

E

Q

A

T

K

Q

Y

V

I

V

active site: N151 (= N168), K174 (= K191), E249 (= E267), C283 (= C301), E381 (= E398), A458 (≠ E475)
binding (3alpha,5beta,12alpha)-3,12-dihydroxycholan-24-oic acid: F105 (≠ Y122), F152 (= F169), N284 (≠ T302), F312 (≠ V330), G313 (= G331), R318 (vs. gap), D320 (= D337), I321 (≠ T338), A322 (≠ E339), Y362 (≠ F379), F440 (≠ V457), F440 (≠ V457), E441 (≠ S458)

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)
36% identity, 97% coverage: 17:494/495 of query aligns to 13:494/505 of 4neaA

query
sites
4neaA

L

L

G

K

A

H

F

L

S

S

R

Q

G

R

L

Q

Y

Y

I

I

G

D

G

G

A

E

W

W

R

V

P

E

A

S

A

A

G

N

E

K

G

N

R

T

I

R

E

D

V

I

I

I

D

N

P

P

S

Y

T

N

E

Q

A

E

V

V

I

I

A

F

A

T

V

V

P

S

D

E

A

G

T

T

L

K

A

E

D

D

A

A

A

E

A

R

A

A

V

I

E

L

A

A

A

R

S

R

A

A

A

F

E

E

S

S

-

G

-

E

W

W

R

S

E

Q

T

E

P

T

P

A

R

E

K

T

R

R

S

G

E

K

I

K

L

V

R

R

R

A

C

I

F

A

E

D

L

K

M

I

V

K

E

E

R

H

S

R

E

E

T

A

L

L

A

A

R

R

L

L

I

E

S

T

L

L

E

D

N

T

G

G

K

K

A

T

L

L

R

E

D

E

A

S

R

Y

G

A

E

D

V

M

A

D

Y

D

A

I

A

H

E

N

F

V

F

F

R

M

W

Y

N

F

A

A

E

G

E

L

A

A

V

D

R

K

I

D

S

G

G

G

E

E

F

M

G

I

L

D

A

S

P

P

A

I

G

P

G

D

N

T

R

E

I

S

V

K

V

I

D

V

Y

K

Q

E

P

P

I

V

G

G

I

V

C

V

V

T

L

Q

I

I

T

T

P
|
P

W

W

N
|
N

F

Y

P

P

A

L

M

Q

A

A

T

S

R

W

K

K

I

I

A

A

P

P

A

A

L

L

A

A

A

T

G

G

C

C

T

S

V

L

I

V

L

M

K
|
K

P

P

A

S

S
x
E

E

I

T

T

P

P

L

L

T

T

A

T

Y

I

A

R

L

V

A

F

A

E

L

L

Y

M

E

E

A

V

G

G

V

F

P

P

P

K

G

G

V

T

V

I

N

N

V

L

M

I

T

L

T

-

S

G

T

A

P
x
G

G

S

P

E

V

V

I
x
G

A

D

A

V

M

M

L

S

A

G

D

H

P

K

R

E

V

V

R

D

K

L

L

V

S

S

F

F

T

T

G
|
G

S
x
G

T

I

G

E

V
x
T

G

G

R

K

M
x
H

L
x
I

L

M

A

K

E

N

A

A

K

N

N

N

V

V

I

T

S

N

C

I

S

A

M

L

E
|
E

L

L

G

G

N

K

A

N

P

P

F

N

V

I

F

F

D

D

A

A

D

D

I

F

D

E

A

L

A

A

I

V

E

D

G

Q

L

A

M

L

V

N

A

G

K

G

M

Y

R

F

N

H

A

A

G

G

E

Q

A

V

C
|
C

T

S

A

A

A

G

N

S

R

R

I

I

Y

L

I

V

Q

Q

S

N

G

S

I

I

H

K

D

D

A

K

F

F

A

E

K

Q

K

A

F

L

T

I

Q

D

R

R

M

V

A

K

L

I

N

K

V

L

G

G

S

N

G

G

V

F

D

D

A

A

D

D

T

T

E

E

C

M

G

G

P

P

M

V

I

I

T

S

R

T

K

E

A

H

V

R

E

N

K

K

I

I

E

E

R

S

L

Y

V

M

E

D

D

V

A

A

I

K

S

A

R

E

G

G

A

A

R

T

V

I

L

A

C

V

G

G

-

K

-

R

-

P

-

D

R

R

S

D

L

D

A

L

G

K

R

D

G

G

F

L

F

F

Y

F

R

E

P

P

T

T

V

V

L

I

V

T

D

N

V

C

S

D

P

T

A

S

S

M

D

R

M

I

G

V

C

Q

E

E

E
|
E

I

V

F
|
F

G

G

P

P

V

V

A

V

P

T

L

V

Y

E

R

G

F

F

E

E

S

T

E

E

A

Q

E

E

V

A

I

I

A

Q

A

L

A

A

N

N

D

D

T

S

E

I

Y

Y

G

G

L

L

A

A

A

G

Y

A

I

V

Y

F

T

S

R

K

D

D

I

I

G

G

R

K

G

A

M

Q

R

R

V

V

A

A

S

N

K

K

I

L

E

K

A

L

G

G

M

T

I

V

A

W

L

I

N

N

R

D

G

F

L

H

V

P

S

Y

D

F

P

A

A

Q

A

A

P

P

F

W

G

G

V

Y

K

K

Q

Q

S

S

G

G

L

I

G

G

R

R

E
|
E

G

L

G

G

Q

K

H

-

H

E

G

G

I

L

A

E

E

E

F

Y

M

L

E

V

A

S

K

K

Y

H

I

I

A

L

T

T

S

N

active site: N166 (= N168), K189 (= K191), E264 (= E267), C298 (= C301), E399 (= E398), E476 (= E475)
binding nicotinamide-adenine-dinucleotide: P164 (= P166), K189 (= K191), E192 (≠ S194), G222 (≠ P225), G226 (≠ I229), G242 (= G245), G243 (≠ S246), T246 (≠ V249), H249 (≠ M252), I250 (≠ L253), C298 (= C301), E399 (= E398), F401 (= F400)

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)
36% identity, 95% coverage: 24:491/495 of query aligns to 7:473/477 of 2impA

query
sites
2impA

L

M

Y

Y

I

I

G

D

G

G

A

Q

W

F

R

V

P

T

A

W

A

R

G

G

E

D

G

A

R

W

I

I

E

D

V

V

I

V

D

N

P

P

S

A

T

T

E

E

A

A

V

V

I

I

A

S

A

R

V

I

P

P

D

D

A

G

T

Q

L

A

A

E

D

D

A

A

A

R

A

K

A

A

V

I

E

D

A

A

A

E

S

R

A

A

A

Q

E

P

S

E

W

W

R

E

E

A

T

L

P

P

P

A

R

I

K

E

R

R

S

A

E

S

I

W

L

L

R

R

R

K

C

I

F

S

E

A

L

G

M

I

V

R

E

E

R

R

S

A

E

S

T

E

L

I

A

S

R

A

L

L

I

I

S

V

L

E

E

E

N

G

G

G

K

K

A

I

L

Q

R

Q

D

L

A

A

R

E

G

V

E

E

V

V

A

A

Y

F

A

T

A

A

E

D

F

Y

F

I

R

D

W

Y

N

M

A

A

E

E

E

W

A

A

V

R

R

R

I

Y

S

E

G

G

E

E

F

I

G

I

L

Q

A

S

P

D

A

R

G

P

G

G

N

E

R

N

I

I

V

L

D

F

Y

K

Q

R

P

A

I

L

G

G

I

V

C

T

V

T

L

G

I
|
I

T
x
L

P
|
P

W
|
W

N
|
N

F

F

P

P

A

F

M

L

A

I

T

A

R

R

K

K

I

M

A

A

P

P

A

A

L

L

A

L

A

T

G

G

C

N

T

T

V

I

I

V

L

I

K
|
K

P

P

A

S

S
x
E

E
x
F

T

T

P

P

L

N

T

N

A

A

Y

I

A

A

L

F

A

A

A

K

L

I

Y

V

E

D

E

E

A

I

G

G

V

L

P

P

P

R

G

G

V

V

V

F

N

N

V

L

M

V

T

L

T

G

S

R

T

-

P

-

G
|
G

P

E

V

T

I

V

A
x
G

A
x
Q

M

E

L

L

A

A

-

G

D

N

P

P

R

K

V

V

R

A

K

M

L

V

S

S

F

M

T

T

G

G

S
|
S

T

V

G

S

V
x
A

G

G

R

E

M
x
K

L

I

L

M

A

A

E

T

A

A

K

K

N

N

V

I

I

T

S

K

C

V

S

C

M

L

E
|
E

L

L

G

G

N

K

A

A

P

P

F

A

V

I

V

V

F

M

D

D

A

A

D

D

I

L

D

E

A

L

A

A

I

V

E

K

G

A

L

I

M

V

V

D

A

S

K

R

M

V

R

I

N

N

A

S

G

G

E

Q

A

V

C
|
C

T

N

A

C

A

A

N

E

R

R

I

V

Y

Y

I

V

Q

Q

S

K

G

G

I

I

H

Y

D

D

A

Q

F

F

A

V

K

N

K

R

F

L

T

G

Q

E

R

A

M

M

A

Q

A

A

L

V

N

Q

V

F

G

G

S

N

G

P

V

A

D

E

-

R

A

N

D

D

T

I

E

A

C

M

G

G

P

P

M

L

I

I

T

N

R

A

K

A

A

A

V

L

E

E

K
x
R

I

V

E

E

R

Q

L

K

V

V

E

A

D

R

A

A

I

V

S

E

R

E

G

G

A

A

R

R

V

V

L

A

C

F

G

G

R

K

S

A

L

V

A

E

G

G

R

K

G

G

F

Y

Y

Y

R

P

P

P

T

T

V

L

L

L

V

L

D

D

V

V

S

R

P

Q

A

E

S

M

D

S

M

I

G

M

C

H

E

E

E
|
E

I

T

F

F

G

G

P

P

V

V

A

L

P

P

L

V

Y

V

R

A

F

F

E

D

S

T

E

L

A

E

E

D

V

A

I

I

A

S

A

M

A

A

N

N

D

D

T

S

E

D

Y

Y

G

G

L

L

A

T

A

S

Y

S

I

I

Y

Y

T

T

R

Q

D

N

I

L

G

N

R

V

G

A

M

M

R

K

V

A

A

I

S

K

K

G

I

L

E

K

A

F

G

G

M

E

I

T

A

Y

L

I

N

N

R

R

G

E

L

N

V

F

S

E

D

A

P

M

A

Q

A

G

P

F

F

H

G

A

G

G

V

W

K

R

Q

K

S

S

G

G

L

I

G

G

R

G

E
x
A

G

D

G

G

Q

K

H

-

H

H

G

G

I

L

A

H

E

E

F

Y

M

L

E

Q

A

T

K

Q

Y

V

I

V

active site: N151 (= N168), K174 (= K191), E249 (= E267), C283 (= C301), E381 (= E398), A458 (≠ E475)
binding 1,4-dihydronicotinamide adenine dinucleotide: I147 (= I164), L148 (≠ T165), P149 (= P166), W150 (= W167), K174 (= K191), E177 (≠ S194), F178 (≠ E195), G207 (= G226), G211 (≠ A230), Q212 (≠ A231), S228 (= S246), A231 (≠ V249), K234 (≠ M252), R334 (≠ K351)

2iluA Crystal structure of lactaldehyde dehydrogenase from e. Coli: the binary complex with NADPH (see paper)
36% identity, 95% coverage: 24:491/495 of query aligns to 7:473/477 of 2iluA

query
sites
2iluA

L

M

Y

Y

I

I

G

D

G

G

A

Q

W

F

R

V

P

T

A

W

A

R

G

G

E

D

G

A

R

W

I

I

E

D

V

V

I

V

D

N

P

P

S

A

T

T

E

E

A

A

V

V

I

I

A

S

A

R

V

I

P

P

D

D

A

G

T

Q

L

A

A

E

D

D

A

A

A

R

A

K

A

A

V

I

E

D

A

A

A

E

S

R

A

A

A

Q

E

P

S

E

W

W

R

E

E

A

T

L

P

P

P

A

R

I

K

E

R

R

S

A

E

S

I

W

L

L

R

R

R

K

C

I

F

S

E

A

L

G

M

I

V

R

E

E

R

R

S

A

E

S

T

E

L

I

A

S

R

A

L

L

I

I

S

V

L

E

E

E

N

G

G

G

K

K

A

I

L

Q

R

Q

D

L

A

A

R

E

G

V

E

E

V

V

A

A

Y

F

A

T

A

A

E

D

F

Y

F

I

R

D

W

Y

N

M

A

A

E

E

E

W

A

A

V

R

R

R

I

Y

S

E

G

G

E

E

F

I

G

I

L

Q

A

S

P

D

A

R

G

P

G

G

N

E

R

N

I

I

V

L

D

F

Y

K

Q

R

P

A

I

L

G

G

I

V

C

T

V

T

L

G

I
|
I

T
x
L

P
|
P

W
|
W

N
|
N

F

F

P

P

A

F

M

L

A

I

T

A

R

R

K

K

I

M

A

A

P

P

A

A

L

L

A

L

A

T

G

G

C

N

T

T

V

I

I

V

L

I

K
|
K

P

P

A
x
S

S
x
E

E

F

T

T

P

P

L

N

T

N

A

A

Y

I

A

A

L

F

A

A

A

K

L

I

Y

V

E

D

E

E

A

I

G

G

V

L

P

P

P

R

G

G

V

V

V

F

N

N

V

L

M

V

T

L

T

G

S
x
R

T

-

P

-

G
|
G

P

E

V

T

I

V

A
x
G

A
x
Q

M

E

L

L

A

A

-

G

D

N

P

P

R

K

V

V

R

A

K

M

L

V

S

S

F

M

T

T

G

G

S
|
S

T

V

G

S

V
x
A

G

G

R

E

M
x
K

L
x
I

L

M

A

A

E

T

A

A

K

K

N

N

V

I

I

T

S

K

C

V

S

C

M

L

E
|
E

L

L

G

G

N

K

A

A

P

P

F

A

V

I

V

V

F

M

D

D

A

A

D

D

I

L

D

E

A

L

A

A

I

V

E

K

G

A

L

I

M

V

V

D

A

S

K

R

M

V

R

I

N

N

A

S

G

G

E

Q

A

V

C
|
C

T

N

A

C

A

A

N

E

R

R

I

V

Y

Y

I

V

Q

Q

S

K

G

G

I

I

H

Y

D

D

A

Q

F

F

A

V

K

N

K

R

F

L

T

G

Q

E

R

A

M

M

A

Q

A

A

L

V

N

Q

V

F

G

G

S

N

G

P

V

A

D

E

-

R

A

N

D

D

T

I

E

A

C

M

G

G

P

P

M

L

I

I

T
x
N

R

A

K

A

A

A

V

L

E

E

K
x
R

I

V

E

E

R

Q

L

K

V

V

E

A

D

R

A

A

I

V

S

E

R

E

G

G

A

A

R

R

V

V

L

A

C

F

G

G

R

K

S

A

L

V

A

E

G

G

R

K

G

G

F

Y

Y

Y

R

P

P

P

T

T

V

L

L

L

V

L

D

D

V

V

S

R

P

Q

A

E

S

M

D

S

M

I

G

M

C

H

E

E

E
|
E

I

T

F
|
F

G

G

P

P

V

V

A

L

P

P

L

V

Y

V

R

A

F

F

E

D

S

T

E

L

A

E

E

D

V

A

I

I

A

S

A

M

A

A

N

N

D

D

T

S

E

D

Y

Y

G

G

L

L

A

T

A

S

Y

S

I

I

Y

Y

T

T

R

Q

D

N

I

L

G

N

R

V

G

A

M

M

R

K

V

A

A

I

S

K

K

G

I

L

E

K

A

F

G

G

M

E

I

T

A

Y

L

I

N

N

R

R

G

E

L

N

V

F

S

E

D

A

P

M

A

Q

A

G

P

F

F

H

G

A

G

G

V

W

K

R

Q

K

S

S

G

G

L

I

G

G

R

G

E
x
A

G

D

G

G

Q

K

H

-

H

H

G

G

I

L

A

H

E

E

F

Y

M

L

E

Q

A

T

K

Q

Y

V

I

V

active site: N151 (= N168), K174 (= K191), E249 (= E267), C283 (= C301), E381 (= E398), A458 (≠ E475)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I147 (= I164), L148 (≠ T165), P149 (= P166), W150 (= W167), K174 (= K191), S176 (≠ A193), E177 (≠ S194), R206 (≠ S223), G207 (= G226), G211 (≠ A230), Q212 (≠ A231), S228 (= S246), A231 (≠ V249), K234 (≠ M252), I235 (≠ L253), N328 (≠ T345), R334 (≠ K351), F383 (= F400)

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)
36% identity, 95% coverage: 24:491/495 of query aligns to 9:475/479 of P25553

query
sites
P25553

L

M

Y

Y

I

I

G

D

G

G

A

Q

W

F

R

V

P

T

A

W

A

R

G

G

E

D

G

A

R

W

I

I

E

D

V

V

I

V

D

N

P

P

S

A

T

T

E

E

A

A

V

V

I

I

A

S

A

R

V

I

P

P

D

D

A

G

T

Q

L

A

A

E

D

D

A

A

A

R

A

K

A

A

V

I

E

D

A

A

A

E

S

R

A

A

A

Q

E

P

S

E

W

W

R

E

E

A

T

L

P

P

P

A

R

I

K

E

R

R

S

A

E

S

I

W

L

L

R

R

R

K

C

I

F

S

E

A

L

G

M

I

V

R

E

E

R

R

S

A

E

S

T

E

L

I

A

S

R

A

L

L

I

I

S

V

L

E

E

E

N

G

G

G

K

K

A

I

L

Q

R

Q

D

L

A

A

R

E

G

V

E

E

V

V

A

A

Y

F

A

T

A

A

E

D

F

Y

F

I

R

D

W

Y

N

M

A

A

E

E

E

W

A

A

V

R

R

R

I

Y

S

E

G

G

E

E

F

I

G

I

L

Q

A

S

P

D

A

R

G

P

G

G

N

E

R

N

I

I

V

L

D

F

Y

K

Q

R

P

A

I

L

G

G

I

V

C

T

V

T

L

G

I

I

T
x
L

P

P

W

W

N

N

F

F

P

P

A

F

M

L

A

I

T

A

R
|
R

K

K

I

M

A

A

P

P

A

A

L

L

A

L

A

T

G

G

C

N

T

T

V

I

I

V

L

I

K
|
K

P
|
P

A
x
S

S
x
E

E
x
F

T

T

P

P

L

N

T

N

A

A

Y

I

A

A

L

F

A

A

A

K

L

I

Y

V

E

D

E

E

A

I

G

G

V

L

P

P

P

R

G

G

V

V

V

F

N

N

V

L

M

V

T

L

T

G

S

R

T

-

P

-

G

G

P

E

V

T

I

V

A

G

A
x
Q

M

E

L

L

A

A

-

G

D

N

P

P

R

K

V

V

R

A

K

M

L

V

S

S

F

M

T

T

G

G

S
|
S

T

V

G

S

V

A

G

G

R

E

M

K

L

I

L

M

A

A

E

T

A

A

K

K

N

N

V

I

I

T

S

K

C

V

S

C

M

L

E
|
E

L

L

G

G

N

K

A

A

P

P

F

A

V

I

V

V

F

M

D

D

A

A

D

D

I

L

D

E

A

L

A

A

I

V

E

K

G

A

L

I

M

V

V

D

A

S

K

R

M

V

R

I

N

N

A

S

G

G

E

Q

A

V

C

C

T
x
N

A

C

A

A

N

E

R

R

I

V

Y

Y

I

V

Q

Q

S

K

G

G

I

I

H

Y

D

D

A

Q

F

F

A

V

K

N

K

R

F

L

T

G

Q

E

R

A

M

M

A

Q

A

A

L

V

N

Q

V

F

G

G

S

N

G

P

V

A

D

E

-

R

A

N

D

D

T

I

E

A

C

M

G

G

P

P

M

L

I

I

T

N

R

A

K

A

A

A

V

L

E

E

K
x
R

I

V

E

E

R

Q

L

K

V

V

E

A

D

R

A

A

I

V

S

E

R

E

G

G

A

A

R

R

V

V

L

A

C

F

G

G

R

K

S

A

L

V

A

E

G

G

R

K

G

G

F

Y

Y

Y

R

P

P

P

T

T

V

L

L

L

V

L

D

D

V

V

S

R

P

Q

A

E

S

M

D

S

M

I

G

M

C

H

E

E

I

T

F

F

G

G

P

P

V

V

A

L

P

P

L

V

Y

V

R

A

F

F

E

D

S

T

E

L

A

E

E

D

V

A

I

I

A

S

A

M

A

A

N

N

D

D

T

S

E

D

Y

Y

G

G

L

L

A

T

A

S

Y

S

I

I

Y

Y

T

T

R

Q

D

N

I

L

G

N

R

V

G

A

M

M

R

K

V

A

A

I

S

K

K

G

I

L

E

K

A

F

G

G

M

E

I

T

A

Y

L

I

N

N

R

R

G

E

L

N

V

F

S
x
E

D

A

P

M

A

Q

A

G

P

F

F
x
H

G

A

G

G

V

W

K

R

Q

K

S

S

G

G

L

I

G

G

R

G

E

A

G

D

G

G

Q

K

H

-

H

H

G

G

I

L

A

H

E

E

F

Y

M

L

E

Q

A

T

K

Q

Y

V

I

V

L150 (≠ T165) binding NAD(+)
R161 (= R176) binding (S)-lactate
KPSE 176:179 (≠ KPAS 191:194) binding NAD(+)
F180 (≠ E195) mutation to T: Can bind and use NADP(+) as coenzyme. 16-fold increase in catalytic efficiency with NAD(+) as coenzyme.
Q214 (≠ A231) binding NAD(+)
S230 (= S246) binding NAD(+)
E251 (= E267) binding (S)-lactate
N286 (≠ T302) 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 (≠ K351) binding NAD(+)
E443 (≠ S458) binding (S)-lactate
H449 (≠ F464) binding (S)-lactate

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

8rwkA Cryoem structure of the central ald4 filament determined by filamentid (see paper)
37% identity, 92% coverage: 23:475/495 of query aligns to 22:474/495 of 8rwkA

query
sites
8rwkA

G

G

L

L

Y

F

I

I

G

N

A

K

W

F

R

V

P

P

A

S

A

K

G

Q

E

N

G

K

R

T

I

F

E

E

V

V

I

I

D

N

P

P

S

S

T

T

E

E

A

E

V

E

I

I

A

C

A

H

V

I

P

Y

D

E

A

G

T

R

L

E

A

D

D

D

A

V

A

E

A

A

V

V

E

Q

A

A

A

D

S

R

A

A

A

F

E

S

-

N

-

G

S

S

W

W

R

N

E

G

T

I

P

D

P

P

R

I

K

D

R

R

S

G

E

K

I

A

L

L

R

Y

R

R

C

L

F

A

E

E

L

L

M

I

V

E

E

Q

R

D

S

K

E

D

T

V

L

I

A

A

R

S

L

I

I

E

S

T

L

L

E

D

N

N

G

G

K

K

A

A

L

I

R

S

D

S

A

S

R

R

G

G

E

D

V

V

A

D

Y

L

A

V

A

I

E

N

F

Y

F

L

R

K

W

S

N

S

A

A

E

G

E

F

A

A

V

D

R

K

I

I

S

D

G

G

E

R

F

M

G

-

L

I

A

D

P

T

A

G

G

R

G

T

N

H

R

F

I

S

V

Y

V

T

D

K

Y

R

Q

Q

P

P

I

L

G

G

I

V

C

C

V

G

L

Q

I

I

T

I

P

P

W

W

N
|
N

F

F

P

P

A

L

M

M

A

W

T

A

R

W

K

K

I

I

A

A

P

P

A

A

L

L

A

V

A

T

G

G

C

N

T

T

V

V

I

V

L

L

K

K

P

T

A

A

S
x
E

E

S

T

T

P

P

L

L

T

S

A

A

Y

L

A

Y

L

V

A

S

A

K

L

Y

Y

I

E

P

E

Q

A

A

G

G

V

I

P

P

G

G

V

V

V

I

N

N

V

I

M

V

T

-

S

S

T

G

P

F

G
|
G

P

K

V

I

I

V

A
x
G

-

E

A

A

M

I

L

T

A

N

D

H

P

P

R

K

V

I

R

K

K

K

L

V

S

A

F
|
F

T

T

G

G

S
|
S

T

T

G

A

V
x
T

G

G

R

R

M

H

L

I

L

Y

A

Q

E

S

A

A

K

A

N

G

V

L

I

K

S

K

C

V

S

T

M

L

E

E

L

L

G

G

N

K

A

S

P

P

F

N

V

I

V

V

F

F

D

A

D

D

A

A

D

E

I

L

D

K

A

K

A

A

I

V

E

Q

G

N

L

I

M

I

V

L

A

G

K

I

M

Y

R

Y

N

N

A

S

G

G

E

E

A

V

C
|
C

T

C

A

A

A

G

N

S

R

R

I

V

Y

Y

I

V

Q

E

S

E

G

S

I

I

H

Y

D

D

A

K

F

F

A

I

K

E

F

F

T

K

Q

A

R

A

M

S

A

E

A

S

L

I

N

K

V

V

G

G

S

D

G

P

V

F

D

D

A

E

D

S

T

T

E

F

C

Q

G

G

P

A

M

Q

I

T

T

S

R

Q

K

M

A

Q

V

L

E

N

K

K

I

I

E

L

R

K

L

Y

V

V

E

D

D

I

A

G

I

K

S

N

R

E

G

G

A

A

R

T

V

L

L

I

C

T

G

G

R

E

S

R

L

L

A

G

G

S

R

K

G

G

F

Y

F

F

Y

I

R

K

P

P

T

T

V

V

L

F

V

G

D

D

V

V

S

K

P

E

A

D

S

M

D

R

M

I

G

V

C

K

E

E

E
|
E

I

I

F

F

G

G

P

P

V

V

A

V

P

T

L

V

Y

T

R

K

F

F

E

K

S

S

E

A

A

D

E

E

V

V

I

I

A

N

A

M

A

A

N

N

D

D

T

S

E

E

Y

Y

G

G

L

L

A

A

Y

G

I

I

Y

H

T

T

R

S

D

N

I

I

G

N

R

T

G

A

M

L

R

K

V

V

A

A

S

D

K

R

I

V

E

N

A

A

G

G

M

T

I

V

A

W

L

I

N

N

R

T

G

Y

L

N

V

D

S

F

D

H

P

H

A

A

A

V

P

P

F

F

G

G

V

F

K

N

Q

A

S

S

G

G

L

L

G

G

R

R

E

E

binding nadp nicotinamide-adenine-dinucleotide phosphate: N168 (= N168), E194 (≠ S194), G224 (= G226), G228 (≠ A230), F242 (= F243), S245 (= S246), T248 (≠ V249), C300 (= C301), E397 (= E398)

5gtlA NADPH complex structure of aldehyde dehydrogenase from bacillus cereus
36% identity, 95% coverage: 24:491/495 of query aligns to 19:486/491 of 5gtlA

query
sites
5gtlA

L

M

Y

F

I

I

G

N

G

G

A

E

W

F

R

V

P

S

A

A

A

I

G

G

E

G

G

K

R

T

I

F

E

E

V

T

I

Y

D

N

P

P

S

A

T

T

E

E

A

D

V

V

I

L

A

A

A

V

V

V

P

C

D

E

A

A

T

Q

L

E

A

E

D

D

A

I

A

D

A

A

V

V

E

K

A

A

A

R

S

S

A

A

A

F

E

E

S

S

-

G

-

P

W

W

R

A

E

E

T

M

P

T

R

A

K

E

R

R

S

A

E

H

I

L

L

I

R

Y

R

K

C

L

F

A

E

D

L

L

M

I

V

E

E

E

R

H

S

R

E

E

T

E

L

L

A

A

R

Q

L

L

I

E

S

A

L

L

E

D

N

N

G

G

K

K

A

P

L

Y

R

Q

D

V

A

A

-

L

R

D

G

D

E

D

V

I

A

S

Y

A

A

T

A

V

E

E

F

N

F

Y

R

R

W

Y

N

Y

A

A

E

G

E

W

A

T

V

T

R

K

I

I

S

I

G

G

E

Q

F

-

G

-

L

T

A

I

P

P

A

I

G

S

G

K

N

D

R

Y

I

L

-

N

V

Y

V

T

D

R

Y

H

Q

E

P

P

I

V

G

G

I

V

C

V

V

G

L

Q

I
|
I

T

I

P
|
P

W

W

N
|
N

F

F

P

P

A

L

A

V

M

M

A

S

T

S

R

W

K

K

I

M

A

G

P

A

A

A

L

L

A

A

A

T

G

G

C

C

T

T

V

I

I

V

L

L

K
|
K

P

P

A
|
A

S
x
E

E
x
Q

T

T

P

P

L

L

T

S

A

L

Y

L

A

Y

L

A

A

A

A

K

L

L

Y

F

E

K

E

E

A

A

G

G

V

F

P

P

P

N

G

G

V

V

N

N

V

F

M

V

T

P

T

G

S

F

T
x
G

P

P

G

-

P

E

V

A

I
x
G

A

A

M

I

L

V

A

N

D

H

P

H

R

D

V

I

R

D

K

K

L

V

S

A

F

F

T

T

G
|
G

S
|
S

T

T

G

V

V
x
T

G

G

R

K

M

Y

L

I

L

M

A

R

E

Q

A

S

A

A

K

E

N

M

V

I

I

K

S

H

C

V

S

T

M

L

E
|
E

L
|
L

G

G

N

K

A

S

P

P

F

N

V

I

F

L

D

E

D

D

A

A

D

D

I

L

D

E

A

E

A

A

I

I

E

N

G

G

L

A

M

F

V

Q

A

G

K

I

M

M

R

Y

N

N

A

H

G

G

E

Q

A

N

C
|
C

T

S

A

A

A

G

N

S

R

R

I

V

Y

F

I

V

Q

H

S

R

G

K

I

H

H

Y

D

E

A

T

F

V

A

V

K

D

K

A

F

L

T

V

Q

K

R

M

M

A

A

N

L

V

N

K

V

L

G

G

S

A

G

G

V

M

D

E

A

K

D

E

T

T

E

E

C

M

G

G

P

P

M

L

I

V

T

S

R

K

K

K

A

Q

V

Q

E

E

K

R

I

V

E

L

R

N

L

Y

V

I

E

E

D

Q

A

G

I

K

S

K

R

E

G

G

A

A

R

T

V

V

L

A

C

A

G

G

R

E

S

R

L

A

A

L

G

E

R

K

G

G

F

Y

F

F

Y

V

R

K

P

P

T

T

V

V

L

F

V

T

D

D

V

V

S

T

P

D

A

D

S

M

D

T

M

I

G

V

C

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

A

V

P

V

L

V

Y

L

R

P

F

F

E

D

S

S

E

T

A

E

E

E

V

V

I

I

A

E

A

R

A

A

N

N

D

N

T

S

E

S

Y

Y

G

G

L

L

A

A

Y

G

I

V

Y

W

T

T

R

Q

D

N

I

I

G

K

R

T

G

G

M

H

R

Q

V

V

A

A

S

N

K

K

I

L

E

K

A

A

G

G

M

T

I

V

A

W

L

I

N

N

R

D

G

Y

L

N

V

L

S

E

D

N

P

A

A

A

P

P

F

F

G

G

V

Y

K

K

Q

Q

S

S

G

G

L

I

G

G

R

R

E
|
E

G

L

G

G

Q

S

H

-

H

Y

G

A

I

L

A

D

E

N

F

Y

M

T

E

E

A

V

K

K

Y

S

I

V

active site: N165 (= N168), K188 (= K191), E263 (= E267), C297 (= C301), E394 (= E398), E471 (= E475)
binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: I161 (= I164), P163 (= P166), K188 (= K191), A190 (= A193), E191 (≠ S194), Q192 (≠ E195), G221 (≠ T224), G225 (≠ I229), G241 (= G245), S242 (= S246), T245 (≠ V249), L264 (= L268), C297 (= C301), E394 (= E398), F396 (= F400)

5gtkA NAD+ complex structure of aldehyde dehydrogenase from bacillus cereus
36% identity, 95% coverage: 24:491/495 of query aligns to 19:486/491 of 5gtkA

query
sites
5gtkA

L

M

Y

F

I

I

G

N

G

G

A

E

W

F

R

V

P

S

A

A

A

I

G

G

E

G

G

K

R

T

I

F

E

E

V

T

I

Y

D

N

P

P

S

A

T

T

E

E

A

D

V

V

I

L

A

A

A

V

V

V

P

C

D

E

A

A

T

Q

L

E

A

E

D

D

A

I

A

D

A

A

V

V

E

K

A

A

A

R

S

S

A

A

A

F

E

E

S

S

-

G

-

P

W

W

R

A

E

E

T

M

P

T

R

A

K

E

R

R

S

A

E

H

I

L

L

I

R

Y

R

K

C

L

F

A

E

D

L

L

M

I

V

E

E

E

R

H

S

R

E

E

T

E

L

L

A

A

R

Q

L

L

I

E

S

A

L

L

E

D

N

N

G

G

K

K

A

P

L

Y

R

Q

D

V

A

A

-

L

R

D

G

D

E

D

V

I

A

S

Y

A

A

T

A

V

E

E

F

N

F

Y

R

R

W

Y

N

Y

A

A

E

G

E

W

A

T

V

T

R

K

I

I

S

I

G

G

E

Q

F

-

G

-

L

T

A

I

P

P

A

I

G

S

G

K

N

D

R

Y

I

L

-

N

V

Y

V

T

D

R

Y

H

Q

E

P

P

I

V

G

G

I

V

C

V

V

G

L

Q

I
|
I

T
x
I

P
|
P

W
|
W

N
|
N

F

F

P

P

A

L

A

V

M

M

A

S

T

S

R

W

K

K

I

M

A

G

P

A

A

A

L

L

A

A

A

T

G

G

C

C

T

T

V

I

I

V

L

L

K
|
K

P

P

A

A

S
x
E

E

Q

T

T

P

P

L

L

T

S

A

L

Y

L

A

Y

L

A

A

A

A

K

L

L

Y

F

E

K

E

E

A

A

G

G

V

F

P

P

P

N

G

G

V

V

N

N

V

F

M

V

T

P

T

G

S

F

T
x
G

P

P

G

-

P

E

V

A

I
x
G

A
|
A

A

A

M

I

L

V

A

N

D

H

P

H

R

D

V

I

R

D

K

K

L

V

S

A

F
|
F

T

T

G
|
G

S
|
S

T

T

G

V

V
x
T

G

G

R

K

M
x
Y

L

I

L

M

A

R

E

Q

A

S

A

A

K

E

N

M

V

I

I

K

S

H

C

V

S

T

M

L

E
|
E

L
|
L

G

G

N

K

A

S

P

P

F

N

V

I

F

L

D

E

D

D

A

A

D

D

I

L

D

E

A

E

A

A

I

I

E

N

G

G

L

A

M

F

V

Q

A

G

K

I

M

M

R

Y

N

N

A

H

G

G

E

Q

A

N

C
|
C

T

S

A

A

A

G

N

S

R

R

I

V

Y

F

I

V

Q

H

S

R

G

K

I

H

H

Y

D

E

A

T

F

V

A

V

K

D

K

A

F

L

T

V

Q

K

R

M

M

A

A

N

L

V

N

K

V

L

G

G

S

A

G

G

V

M

D

E

A

K

D

E

T

T

E

E

C

M

G

G

P

P

M

L

I

V

T

S

R

K

K

K

A
x
Q

V

Q

E

E

K
x
R

I

V

E

L

R

N

L

Y

V

I

E

E

D

Q

A

G

I

K

S

K

R

E

G

G

A

A

R

T

V

V

L

A

C

A

G

G

R

E

S

R

L

A

A

L

G

E

R

K

G

G

F

Y

F

F

Y

V

R

K

P

P

T

T

V

V

L

F

V

T

D

D

V

V

S

T

P

D

A

D

S

M

D

T

M

I

G

V

C

K

E

E

E
|
E

I

I

F
|
F

G

G

P

P

V

V

A

V

P

V

L

V

Y

L

R

P

F

F

E

D

S

S

E

T

A

E

E

E

V

V

I

I

A

E

A

R

A

A

N

N

D

N

T

S

E

S

Y

Y

G

G

L

L

A

A

Y

G

I

V

Y

W

T

T

R

Q

D

N

I

I

G

K

R

T

G

G

M

H

R

Q

V

V

A

A

S

N

K

K

I

L

E

K

A

A

G

G

M

T

I

V

A

W

L

I

N

N

R

D

G

Y

L

N

V

L

S

E

D

N

P

A

A

A

P

P

F

F

G

G

V

Y

K

K

Q

Q

S

S

G

G

L

I

G

G

R

R

E
|
E

G

L

G

G

Q

S

H

-

H

Y

G

A

I

L

A

D

E

N

F

Y

M

T

E

E

A

V

K

K

Y

S

I

V

active site: N165 (= N168), K188 (= K191), E263 (= E267), C297 (= C301), E394 (= E398), E471 (= E475)
binding nicotinamide-adenine-dinucleotide: I161 (= I164), I162 (≠ T165), P163 (= P166), W164 (= W167), K188 (= K191), E191 (≠ S194), G221 (≠ T224), G225 (≠ I229), A226 (= A230), F239 (= F243), G241 (= G245), S242 (= S246), T245 (≠ V249), Y248 (≠ M252), L264 (= L268), C297 (= C301), Q344 (≠ A348), R347 (≠ K351), E394 (= E398), F396 (= F400)

O14293 Putative aldehyde dehydrogenase-like protein C9E9.09c; EC 1.2.1.- from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
36% identity, 94% coverage: 23:489/495 of query aligns to 24:491/503 of O14293

query
sites
O14293

G

G

L

L

Y

F

I

I

G

N

A

Q

W

H

R

V

P

D

A

S

A

V

G

H

E

G

G

G

R

R

I

V

E

K

V

V

I

Y

D

S

P

P

S

S

T

T

E

E

A

K

V

L

I

I

A

C

A

E

V

V

P

A

D

D

A

A

T

D

L

E

A

E

D

D

A

V

A

D

A

I

A

A

V

V

E

K

A

V

A

A

A

R

S

A

A

A

A

F

E

Q

S

T

-

D

-

A

-

P

W

W

R

R

E

K

T

F

P

S

R

A

K

Q

R

R

S

G

E

R

I

C

L

L

R

S

R

R

C

L

F

A

E

D

L

C

M

I

V

E

E

Q

R

N

S

L

E

E

T

Y

L

L

A

A

R

S

L

I

I

E

S

T

L

L

E

D

N

N

G

G

K

K

A

S

L

I

R

T

D

L

A

A

R

R

G

G

E

D

V

V

A

Q

Y

A

A

A

E

D

F

C

F

F

R

R

W

Y

N

Y

A

G

E

G

E

W

A

A

V

D

R

K

I

D

S

Y

G

G

E

Q

F

-

G

T

L

I

A

E

P

T

A

D

G

I

G

K

N

R

R

F

I

A

V

Y

V

T

D

R

Y

H

Q

E

P

P

I

I

G

G

I

V

C

C

V

G

L

Q

I

I

T

I

P

P

W

W

N

N

F

F

P

P

A

F

A

L

M

M

A

C

T

A

R

W

K

K

I

I

A

A

P

P

A

A

L

V

A

A

A

C

G

G

C

N

T

T

V

I

I

I

L

L

K

K

P

T

A

A

S

E

E

L

T

T

P

P

L

L

T

S

A

A

Y

L

A

C

L

L

A

T

A

K

L

F

Y

V

E

P

E

E

A

C

G

G

V

F

P

P

G

G

V

V

V

I

N

N

V

V

M

L

T

S

T

G

S

D

-

G

-

R

T

R

P

C

G

G

P

N

V

A

I

I

A

S

M

H

L

M

A

-

D

-

P

-

R

D

V

I

R

D

K

K

L

V

S

A

F

F

T

T

G

G

S
|
S

T

T

G

G

V

V

G

G

R

R

M

M

L

V

L

M

-

R

A

A

E

A

A

A

A

S

K

S

N

N

V

L

I

K

S

K

C

V

S

T

M

L

E

E

L

L

G

G

N

K

A

S

P

P

F

N

V

I

V

V

F

F

D

N

D

D

A

A

D

D

I

L

D

D

A

S

A

A

I

A

E

V

G

W

L

T

M

N

V

Y

A

G

K

I

M

F

R

Y

N

N

A

S

G

G

E

Q

A

V

C

C

T

C

A

A

A

G

N

S

R

R

I

V

Y

Y

I

V

Q

Q

S

E

G

D

I

V

H

Y

D

D

A

E

F

F

A

I

K

K

K

R

F

M

T

V

Q

A

R

K

M

A

A

K

A

T

L

L

N

K

V

V

G

G

S

D

G

P

V

F

D

A

A

E

D

D

T

T

E

F

C

Q

G

G

P

A

M

Q

I

V

T

S

R

K

K

Q

A

Q

V

Y

E

E

K

R

I

I

E

V

R

S

L

Y

V

I

E

E

D

S

A

G

I

I

S

A

R

H

G

G

A

A

R

K

V

L

L

E

C

I

G

G

R

K

S

R

L

H

A

G

G

N

R

L

G

G

F

Y

F

F

Y

V

R

E

P

P

T

T

V

I

L

L

V

S

D

N

V

V

S

T

P

E

A

D

S

M

D

A

M

V

G

G

C

K

E

E

I

I

F

F

G

G

P

P

V

V

A

L

P

A

L

V

Y

I

R

K

F

F

E

K

S

T

E

I

A

E

E

E

V

A

I

I

A

R

A

G

N

N

D

N

T

S

E

T

Y

Y

G

G

L

L

A

A

Y

G

I

V

Y

H

T

T

R

N

D

N

I

I

G

T

R

N

G

A

M

I

R

K

V

V

A

S

S

N

K

A

I

L

E

E

A

A

G

G

M

T

I

V

A

W

L

V

N

N

R

C

G

Y

L

N

V

L

S

L

D

H

P

H

A

Q

A

I

P

P

F

F

G

G

V

Y

K

K

Q

E

S

S

G

G

L

I

G

G

R

R

E

E

G

L

G

G

Q

S

H

-

H

Y

G

G

I

L

A

T

E

N

F

Y

M

T

E

Q

A

T

K

K

S248 (= S246) modified: Phosphoserine

Sites not aligning to the query:

501 modified: Phosphoserine

7a6qB Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
36% identity, 95% coverage: 24:495/495 of query aligns to 16:489/489 of 7a6qB

query
sites
7a6qB

L

I

Y

F

I

I

G

N

A

E

W

W

R

H

P

E

A

S

A

K

G

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E

G

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I

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E
x
A

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x
T

I
x
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N

P
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P

S

S

T

T

E

R

A

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Q

I

I

A

C

A

E

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V

P

E

D

E

A

G

T

D

L

K

A

P

D

D

A

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A

D

A

K

A

A

V

V

E

E

A

A

A

Q

S

V

A

A

A

F

E

Q

S

R

-

G

-

S

-

P

W

W

R

R

E

R

T

L

P

D

P

A

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E

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I

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C

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A

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D

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E

A

T

T

L

L

A

A

R

A

L

L

I

E

S

T

L

M

E
x
D

N

T

G

G

K

K

A

P

L

F

R

L

D

H

A

A

R

F

G

F

-

I

E

D

V

L

A

E

Y
x
G

A

C

A

I

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R

F

T

F

L

R

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Y

N

F

A

A

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A

A

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Q

G

G

E

K

F

-

G

-

L

T

A

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P

A

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x
D

G

D

N
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N

R

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I

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-

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Y

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E

P

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C

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V

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A

I
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I

T

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W

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N

F

F

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P

A

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M

A

L

T

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R

W

K

K

I

L

A

A

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P

A

A

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L

A

C

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G

C

N

T

T

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M

I

V

L

L

K
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K

P

P

A

A

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x
E

E
x
Q

T

T

P

P

L

L

T

T

A

A

Y

L

A

Y

L

L

A

G

A

S

L

L

Y

I

E

K

E

E

A

A

G

G

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P

P

G

G

V

V

N

N

V

I

M

V

T

P

T

G

S
x
F

T
x
G

P

P

G

-

P

T

V

V

I
x
G

A

A

M

I

L

S

A

S

D

H

P

P

R

Q

V

I

R

N

K

K

L

I

S

A

F

F

T

T

G

G

S
|
S

T

T

G

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|
V

G

G

R

K

M

L

L

V

L

K

A

E

E

A

A

A

A

S

K

R

-

S

N

N

V

L

I

K

S

R

C

V

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M

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E
|
E

L

L

G

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N

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V

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C

D

A

D

D

A

A

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D

I

L

D

D

A

L

A

A

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E

E

G

C

L

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M

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Q

A

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K

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M

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F

N

N

A

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G

E

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C

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A

A

N

S

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R

I

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E

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K

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Q

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K

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E

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C

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A

E

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E

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V

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D

A

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F

E

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S

S

E

I

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V

I

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K

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A

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N

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D

Y

Y

G

G

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L

A

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A

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A

I

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Y

F

T

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R

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D

N

I

L

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D

R

K

G

A

M

L

R

K

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L

A

A

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S

K

A

I

L

E

E

A

S

G

G

M

T

I

V

A

W

L

I

N

N

R

C

G

Y

L
x
N

V

A

S
x
L

D

Y

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x
A

A

Q

A

A

P

P

F

F

G

G

V

F

K

K

Q

M

S

S

G

G

L

N

G

G

R

R

E
|
E

G

L

G

G

Q

E

H

-

H

Y

G

A

I

L

A

A

E

E

F

Y

M

T

E

E

A

V

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K

Y

T

I

V

A

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T

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K

F

L

active site: N163 (= N168), E262 (= E267), C296 (= C301), E470 (= E475)
binding nicotinamide-adenine-dinucleotide: I159 (= I164), W162 (= W167), K186 (= K191), E189 (≠ S194), G219 (≠ T224), G223 (≠ I229), S240 (= S246), V243 (= V249), K342 (= K347)
binding (3-oxidanylidene-3-sodiooxy-propanoyl)oxysodium: A32 (≠ E40), T33 (≠ V41), C34 (≠ I42), P36 (= P44), D103 (≠ E108), E189 (≠ S194), Q190 (≠ E195), F218 (≠ S223), I339 (= I344), D340 (≠ T345)
binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ Y122), D141 (≠ G147), N143 (= N149), N451 (≠ L456), L453 (≠ S458), A455 (≠ P460)

7a6qA Crystal structure of human aldehyde dehydrogenase 1a3 in complex with selective nr6 inhibitor compound (see paper)
36% identity, 95% coverage: 24:495/495 of query aligns to 16:489/489 of 7a6qA

query
sites
7a6qA

L

I

Y

F

I

I

G

N

A

E

W

W

R

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P

E

A

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A

K

G

S

E

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E

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D

N

P

P

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A

E

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I

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A

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V

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D

E

A

G

T

D

L

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A

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D

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A

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A

D

A

K

A

A

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V

E

E

A

A

A

Q

S

V

A

A

A

F

E

Q

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R

-

G

-

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-

P

W

W

R

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S

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E

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H

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Q

C

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A

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D

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L

M

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E

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E

A

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T

L

L

A

A

R

A

L

L

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T

L

M

E

D

N

T

G

G

K

K

A

P

L

F

R

L

D

H

A

A

R

F

G

F

-

I

E

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V

L

A

E

Y
x
G

A

C

A

I

E

R

F

T

F

L

R

R

W

Y

N

F

A

A

E

G

E

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A

A

V

D

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G

G

E

K

F

-

G

-

L

T

A

I

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P

A

T

G
x
D

G

D

N
|
N

R

V

I

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C

V

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D

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-

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Y

H

Q

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P

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I

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C

C

V

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A

I
|
I

T
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T

P

P

W
|
W

N
|
N

F

F

P

P

A

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M

M

A

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T

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R

W

K

K

I

L

A

A

P

P

A

A

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L

A

C

G

G

C

N

T

T

V

M

I

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|
K

P

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A
|
A

S
x
E

E

Q

T

T

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P

L

L

T

T

A

A

Y

L

A

Y

L

L

A

G

A

S

L

L

Y

I

E

K

E

E

A

A

G

G

V

F

P

P

G

G

V

V

N

N

V

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M

V

T

P

T

G

S

F

T
x
G

P

P

G

-

P

T

V

V

I
x
G

A

A

M

I

L

S

A

S

D

H

P

P

R

Q

V

I

R

N

K

K

L

I

S

A

F

F

T

T

G

G

S
|
S

T

T

G

E

V
|
V

G

G

R

K

M

L

L

V

L

K

A

E

E

A

A

A

A

S

K

R

-

S

N

N

V

L

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K

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S

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M

L

E
|
E

L

L

G

G

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K

A

N

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P

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C

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V

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C

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A

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A

A

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E

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M

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F

N

N

A

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G

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T

T

A

A

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K

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K

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K

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A

A

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N

D

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T

T

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D

Y

Y

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G

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L

A

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A

A

Y

A

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Y

F

T

T

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D

N

I

L

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D

R

K

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A

M

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L

A

A

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S

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A

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E

E

A

S

G

G

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T

I

V

A

W

L

I

N

N

R

C

G

Y

L
x
N

V

A

S
x
L

D
x
Y

P

A

A

Q

A

A

P

P

F

F

G

G

V

F

K

K

Q

M

S

S

G

G

L

N

G

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R

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E
|
E

G

L

G

G

Q

E

H

-

H

Y

G

A

I

L

A

A

E

E

F

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T

E

E

A

V

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K

Y

T

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K

F

L

active site: N163 (= N168), E262 (= E267), C296 (= C301), E470 (= E475)
binding nicotinamide-adenine-dinucleotide: I159 (= I164), T160 (= T165), W162 (= W167), K186 (= K191), A188 (= A193), E189 (≠ S194), G219 (≠ T224), G223 (≠ I229), S240 (= S246), V243 (= V249), K342 (= K347), K346 (= K351)
binding 3-(2-phenylimidazo[1,2-a]pyridin-6-yl)benzenecarbonitrile: G118 (≠ Y122), D141 (≠ G147), N143 (= N149), N451 (≠ L456), L453 (≠ S458), Y454 (≠ D459)

5fhzA Human aldehyde dehydrogenase 1a3 complexed with NAD(+) and retinoic acid (see paper)
36% identity, 95% coverage: 24:495/495 of query aligns to 16:489/489 of 5fhzA

query
sites
5fhzA

L

I

Y

F

I

I

G

N

A

E

W

W

R

H

P

E

A

S

A

K

G

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N

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I

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A

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E

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E

A

G

T

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K

A

P

D

D

A

V

A

D

A

K

A

A

V

V

E

E

A

A

A

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S

V

A

A

A

F

E

Q

S

R

-

G

-

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-

P

W

W

R

R

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R

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L

P

D

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A

R

L

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S

R

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E

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I

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L

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R

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C

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A

E

D

L

L

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V

E

E

R

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D

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R

E

A

T

T

L

L

A

A

R

A

L

L

I

E

S

T

L

M

E

D

N

T

G

G

K

K

A

P

L

F

R

L

D

H

A

A

R

F

G

F

-

I

E

D

V

L

A

E

Y
x
G

A

C

A

I

E
x
R

F

T

F

L

R

R

W

Y

N

F

A

A

E

G

E

W

A

A

V

D

R

K

I

I

S

Q

G

G

E

K

F

-

G

-

L

T

A

I

P

P

A

T

G

D

N

N

R

V

I

V

V

C

V

F

D

T

-

R

Y

H

Q

E

P

P

I

I

G

G

I

V

C

C

V

G

L

A

I
|
I

T
|
T

P

P

W
|
W

N
|
N

F
|
F

P

P

A

L

M
|
M

A

L

T

V

R
x
W

K

K

I

L

A

A

P

P

A

A

L

L

A

C

G

G

C

N

T

T

V

M

I

V

L

L

K
|
K

P

P

A

A

S
x
E

E

Q

T

T

P

P

L

L

T

T

A

A

Y

L

A

Y

L

L

A

G

A

S

L

L

Y

I

E

K

E

E

A

A

G

G

V

F

P

P

G

G

V

V

N

N

V

I

M

V

T

P

T

G

S

F

T
x
G

P

P

G

-

P

T

V

V

I
x
G

A

A

M

I

L

S

A

S

D

H

P

P

R

Q

V

I

R

N

K

K

L

I

S

A

F
|
F

T

T

G
|
G

S
|
S

T
|
T

G

E

V
|
V

G

G

R

K

M

L

L

V

L

K

A

E

E

A

A

A

A

S

K

R

-

S

N

N

V

L

I

K

S

R

C

V

S

T

M

L

E
|
E

L

L

G
|
G

G

G

N

K

A

N

P

P

F

C

V

I

V

V

F

C

D

A

D

D

A

A

D

D

I

L

D

D

A

L

A

A

I

V

E

E

G

C

L

A

M

H

V

Q

A

G

K

V

M

F

R

F

N

N

A

Q

G

G

E

Q

A
x
C

C
|
C

T

T

A

A

N

S

R

R

I

V

Y

F

I

V

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active site: N163 (= N168), K186 (= K191), E262 (= E267), C296 (= C301), E393 (= E398), E470 (= E475)
binding nicotinamide-adenine-dinucleotide: I159 (= I164), T160 (= T165), W162 (= W167), K186 (= K191), E189 (≠ S194), G219 (≠ T224), G223 (≠ I229), F237 (= F243), G239 (= G245), S240 (= S246), T241 (= T247), V243 (= V249), G264 (= G269), Q343 (≠ A348), E393 (= E398)
binding retinoic acid: G118 (≠ Y122), R121 (≠ E125), F164 (= F169), M168 (= M173), W171 (≠ R176), C295 (≠ A300), C296 (= C301), L453 (≠ S458)

Query Sequence

>WP_012755384.1 NCBI__GCF_000023185.1:WP_012755384.1
MNVNQHSSHPDHDPFELGAFSRGLYIGGAWRPAAGEGRIEVIDPSTEAVIAAVPDATLAD
AAAAVEAAASAAESWRETPPRKRSEILRRCFELMVERSETLARLISLENGKALRDARGEV
AYAAEFFRWNAEEAVRISGEFGLAPAGGNRIVVDYQPIGICVLITPWNFPAAMATRKIAP
ALAAGCTVILKPASETPLTAYALAALYEEAGVPPGVVNVMTTSTPGPVIAAMLADPRVRK
LSFTGSTGVGRMLLAEAAKNVISCSMELGGNAPFVVFDDADIDAAIEGLMVAKMRNAGEA
CTAANRIYIQSGIHDAFAKKFTQRMAALNVGSGVDADTECGPMITRKAVEKIERLVEDAI
SRGARVLCGGRSLAGRGFFYRPTVLVDVSPASDMGCEEIFGPVAPLYRFESEAEVIAAAN
DTEYGLAAYIYTRDIGRGMRVASKIEAGMIALNRGLVSDPAAPFGGVKQSGLGREGGQHH
GIAEFMEAKYIATSF

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