SitesBLAST

P31023 Dihydrolipoyl dehydrogenase, mitochondrial; Dihydrolipoamide dehydrogenase; Glycine cleavage system L protein; Pyruvate dehydrogenase complex E3 subunit; E3; PDC-E3; EC 1.8.1.4 from Pisum sativum (Garden pea) (Lathyrus oleraceus) (see 2 papers)
42% identity, 100% coverage: 3:465/465 of query aligns to 35:501/501 of P31023

query
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P31023

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67:76 (vs. 35:43, 50% identical) binding FAD
C76 (= C43) modified: Disulfide link with 81, Redox-active
C81 (= C48) modified: Disulfide link with 76, Redox-active
G149 (= G115) binding FAD
D348 (= D311) binding FAD
MLAH 354:357 (≠ ALAH 317:320) binding FAD

Sites not aligning to the query:

1:31 modified: transit peptide, Mitochondrion

1dxlA Dihydrolipoamide dehydrogenase of glycine decarboxylase from pisum sativum (see paper)
42% identity, 100% coverage: 3:465/465 of query aligns to 1:467/467 of 1dxlA

query
sites
1dxlA

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active site: L38 (= L39), C42 (= C43), C47 (= C48), S50 (≠ T51), Y184 (≠ A184), E188 (= E188), H444 (= H442), H446 (= H444), E451 (= E449)
binding flavin-adenine dinucleotide: I9 (≠ V11), P13 (= P15), G14 (= G16), E33 (= E35), K34 (vs. gap), R35 (≠ A36), G40 (= G41), T41 (≠ I42), C42 (= C43), G46 (= G47), C47 (= C48), K51 (= K52), Y114 (≠ W114), G115 (= G115), T144 (= T144), G145 (= G145), Y184 (≠ A184), I185 (= I185), R274 (≠ V272), D314 (= D311), M320 (≠ A317), L321 (= L318), A322 (= A319), H323 (= H320)

7kmyA Structure of mtb lpd bound to 010705 (see paper)
44% identity, 97% coverage: 2:453/465 of query aligns to 1:453/465 of 7kmyA

query
sites
7kmyA

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G

G

L

P

L

A
x
Q

L
|
L

A
|
A

H

H

V

V

A

A

S
x
E

A

A

E

Q

G

G

I

V

C

A

V

A

E

E

K

T

I

I

A

A

G

G

Q

A

N

E

P

T

E

L

P

T

L

L

-

G

D

D

Y

H

G

R

N

M

I

L

P

P

G

R

C

A

T

T

Y

F

C

C

S

Q

P

P

E

N

I

V

A

A

S

S

V

F

G

G

M

L

T

T

E

E

A

Q

K

Q

A

A

K

R

E

N

A

E

G

G

Y

Y

E

D

L

V

R

V

V

V

G

A

K

K

F

F

P

P

F

F

S

T

A
|
A

S

N

G

A

K

K

A

A

S

H

A

G

A

V

G

G

A

D

K

P

D

S

G

G

F

F

V

V

K

K

L

L

V

V

F

A

D

D

K

A

K

K

Y

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

I

V

G

G

F

H

N

D

V

V

T

A

E

E

M

L

I

L

A

P

E

E

I

L

V

T

A

L

I

A

R

Q

K

R

L

W

E

D

T

L

T

T

G

A

H

S

E

E

L

L

I

A

K

R

T

N

V

V

H
|
H

P

T

H
|
H

P

P

T

T

M

M

S

S

E
|
E

A

A

V

L

M

Q

E

E

active site: W38 (≠ L39), C42 (= C43), C47 (= C48), S50 (≠ T51), A182 (= A184), E186 (= E188), H442 (= H442), H444 (= H444), E449 (= E449)
binding flavin-adenine dinucleotide: L10 (≠ V11), G11 (= G12), G13 (= G14), P14 (= P15), V33 (= V34), E34 (= E35), P35 (≠ A36), Y37 (≠ E38), G40 (= G41), V41 (≠ I42), C42 (= C43), G46 (= G47), C47 (= C48), K51 (= K52), Y113 (≠ W114), G114 (= G115), A142 (= A143), T143 (= T144), G144 (= G145), Y162 (= Y164), I183 (= I185), Y277 (≠ C279), G309 (= G310), D310 (= D311), Q316 (≠ A317), L317 (= L318), A318 (= A319)
binding N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide: Y17 (= Y18), R94 (≠ M95), G97 (= G98), F100 (= F101), E322 (≠ S323), A382 (= A382), H444 (= H444), E449 (= E449)

Sites not aligning to the query:

binding N~2~-methyl-N~2~-[(5-methyl-1H-indazol-7-yl)sulfonyl]-N-(1-methyl-2-oxo-1,2-dihydropyridin-4-yl)glycinamide: 464

4m52A Structure of mtb lpd bound to sl827 (see paper)
44% identity, 97% coverage: 2:453/465 of query aligns to 1:453/465 of 4m52A

query
sites
4m52A

S

S

S

M

T

T

K

H

F

Y

D

D

L

V

I

V

V

V

V
x
L

G
|
G

S

A

G
|
G

P
|
P

G

G

Y
|
Y

V

V

A

A

I

I

R

R

A

A

S

A

Q

Q

L

L

G

G

L

L

K

S

T

T

A

A

V

I

V
|
V

E
|
E

A
x
P

A

K

E
x
Y

L
x
W

G

G

I
x
V

C
|
C

L

L

N

N

W

V

G
|
G

C
|
C

I

I

P

P

T
x
S

K
|
K

A

A

L

L

K

R

S

N

A

A

Q

E

V

L

F

V

E

H

-

I

Y

F

I

T

N

K

H

D

A

A

A

K

D

A

Y

F

G

G

I

I

T

S

V

-

G

G

D

E

A

V

K

T

A

F

D

D

F

Y

D

G

G

I

I

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

D

E

G

G

M
x
R

S

V

K

A

G

G

V

V

T

H

F
|
F

L

L

M

M

K

K

N

N

K

K

I

I

E

T

V

E

I

I

K

H

G

G

W
x
Y

G
|
G

K

T

I

F

Q

A

P

D

G

A

K

N

K

T

V

L

E

L

V

V

T

D

D

L

S

N

E

D

E

G

K

G

K

T

T

E

V

S

Y

V

S

T

A

F

D

D

N

N

I

A

I

I

A
|
A

T
|
T

G

G

A

S

R

S

S

T

R

R

E

L

L

V

P

P

S

G

M

T

K

S

I

L

D

-

K

S

K

A

K

N

I

V

G

T

Y
|
Y

R

E

E

E

A

Q

M

I

T

L

L

S

D

R

K

E

M

L

P

P

K

K

K

S

M

I

V

I

V

A

G

G

S

A

G

G

A
|
A

I
|
I

G

G

I

M

E
|
E

F

F

A

G

Y

Y

F

V

Y

L

A

K

T

N

M

Y

G

G

A

V

E

D

V

V

T

T

I

I

V

V

E

E

Y

F

L

L

D

P

R

R

I

A

V

L

P

P

V

N

E

E

D

D

A

A

E

D

V

V

S

S

K

K

T

E

L

I

E

E

K

K

I

Q

Y

F

K

K

A

L

G

G

M

V

T

T

I

I

M

L

T

T

S

A

S

T

E

K

V

V

T

E

A

S

V

I

D

A

T

D

K

G

G

G

S

S

G

Q

C

V

K

T

V

V

T

T

V

V

K

T

T

K

A

D

K

G

G

V

E

A

E

Q

T

E

L

L

E

K

C

A

D

E

I

K

V

V

L

L

S

Q

A

A

A

I

G

G

V
x
F

V

A

S

P

N

N

L

V

E

E

N

G

C
x
Y

G

G

L

L

E

D

D

K

V

A

G

G

I

V

-

A

L

L

V

T

D

D

K

R

G

K

K

A

I

I

K

G

V

V

D

D

E

D

Y

Y

Y

M

K

R

T

T

N

N

M

V

P

G

G

H

Y

I

Y

Y

A

A

I

I

G
|
G

D
|
D

V

V

I

N

P

G

G

L

P

L

A
x
Q

L
|
L

A
|
A

H

H

V

V

A

A

S
x
E

A

A

E

Q

G

G

I

V

C

A

V

A

E

E

K

T

I

I

A

A

G

G

Q

A

N

E

P

T

E

L

P

T

L

L

-

G

D

D

Y

H

G

R

N

M

I

L

P

P

G

R

C

A

T

T

Y

F

C

C

S

Q

P

P

E

N

I

V

A

A

S

S

V

F

G

G

M

L

T

T

E

E

A

Q

K

Q

A

A

K

R

E

N

A

E

G

G

Y

Y

E

D

L

V

R

V

V

V

G

A

K

K

F

F

P

P

F

F

S

T

A
|
A

S

N

G

A

K

K

A

A

S

H

A

G

A

V

G

G

A

D

K

P

D

S

G

G

F

F

V

V

K

K

L

L

V

V

F

A

D

D

K

A

K

K

Y

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

I

V

G

G

F

H

N

D

V

V

T

A

E

E

M

L

I

L

A

P

E

E

I

L

V

T

A

L

I

A

R

Q

K

R

L

W

E

D

T

L

T

T

G

A

H

S

E

E

L

L

I

A

K

R

T

N

V

V

H
|
H

P

T

H
|
H

P

P

T

T

M

M

S

S

E
|
E

A

A

V

L

M

Q

E

E

active site: W38 (≠ L39), C42 (= C43), C47 (= C48), S50 (≠ T51), A182 (= A184), E186 (= E188), H442 (= H442), H444 (= H444), E449 (= E449)
binding flavin-adenine dinucleotide: L10 (≠ V11), G11 (= G12), G13 (= G14), P14 (= P15), V33 (= V34), E34 (= E35), P35 (≠ A36), Y37 (≠ E38), V41 (≠ I42), C42 (= C43), G46 (= G47), C47 (= C48), K51 (= K52), Y113 (≠ W114), G114 (= G115), A142 (= A143), T143 (= T144), Y162 (= Y164), I183 (= I185), F270 (≠ V272), Y277 (≠ C279), G309 (= G310), D310 (= D311), Q316 (≠ A317), L317 (= L318), A318 (= A319)
binding N~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-N-(4-methoxyphenyl)-N~2~-methylglycinamide: P14 (= P15), Y17 (= Y18), R94 (≠ M95), F100 (= F101), E322 (≠ S323), A382 (= A382), H444 (= H444)

Sites not aligning to the query:

binding N~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-N-(4-methoxyphenyl)-N~2~-methylglycinamide: 464

8u0qA Co-crystal structure of optimized analog tdi-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series (see paper)
44% identity, 97% coverage: 4:453/465 of query aligns to 2:452/464 of 8u0qA

query
sites
8u0qA

T

T

K

H

F

Y

D

D

L

V

I

V

V

V

V
x
L

G
|
G

S

A

G
|
G

P
|
P

G
|
G

G

G

Y
|
Y

V

V

A

A

I

I

R

R

A

A

S

A

Q

Q

L

L

G

G

L

L

K

S

T

T

A

A

V

I

V
|
V

E
|
E

A
x
P

A

K

E
x
Y

L

W

G

G

G
|
G

I
x
V

C
|
C

L

L

N

N

W

V

G
|
G

C
|
C

I

I

P

P

T

S

K
|
K

A

A

L

L

K

R

S

N

A

A

Q

E

V

L

F

V

E

H

-

I

Y

F

I

T

N

K

H

D

A

A

A

K

D

A

Y

F

G

G

I

I

T

S

V

-

G

G

D

E

A

V

K

T

A

F

D

D

F

Y

D

G

G

I

I

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

D

E

G

G

M
x
R

S

V

K

A

G
|
G

V

V

T

H

F
|
F

L

L

M

M

K

K

N

N

K

K

I

I

E

T

V

E

I

I

K

H

G

G

W
x
Y

G
|
G

K

T

I

F

Q

A

P

D

G

A

K

N

K

T

V

L

E

L

V

V

T

D

D

L

S

N

E

D

E

G

K

G

K

T

T

E

V

S

Y

V

S

T

A

F

D

D

N

N

I

A

I

I

A
|
A

T
|
T

G
|
G

A

S

R

S

S

T

R

R

E

L

L

V

P

P

S

G

M

T

K

S

I

L

D

-

K

S

K

A

K

N

I

V

G

T

Y
|
Y

R

E

E

E

A

Q

M

I

T

L

L

S

D

R

K

E

M

L

P

P

K

K

K

S

M

I

V

I

V

A

G

G

S

A

G

G

A

A

I
|
I

G

G

I

M

E

E

F

F

A

G

Y

Y

F

V

Y

L

A

K

T

N

M

Y

G

G

A

V

E

D

V

V

T

T

I

I

V

V

E

E

Y

F

L

L

D

P

R

R

I

A

V

L

P

P

V

N

E

E

D

D

A

A

E

D

V

V

S

S

K

K

T

E

L

I

E

E

K

K

I

Q

Y

F

K

K

A

L

G

G

M

V

T

T

I

I

M

L

T

T

S

A

S

T

E

K

V

V

T

E

A

S

V

I

D

A

T

D

K

G

G

G

S

S

G

Q

C

V

K

T

V

V

T

T

V

V

K

T

T

K

A

D

K

G

G

V

E

A

E

Q

T

E

L

L

E

K

C

A

D

E

I

K

V

V

L

L

S

Q

A

A

A

I

G

G

V

F

V

A

S

P

N

N

L

V

E

E

N

G

C
x
Y

G

G

L

L

E

D

D

K

V

A

G

G

I

V

-

A

L

L

V

T

D

D

K

R

G

K

K

A

I

I

K

G

V

V

D

D

E

D

Y

Y

Y

M

K

R

T

T

N

N

M

V

P

G

G

H

Y

I

Y

Y

A

A

I

I

G
|
G

D
|
D

V

V

I

N

P

G

G

L

P

L

A
x
Q

L
|
L

A
|
A

H
|
H

V

V

A

A

S
x
E

A

A

E

Q

G

G

I

V

C

A

V

A

E

E

K

T

I

I

A

A

G

G

Q

A

N

E

P

T

E

L

P

T

L

L

-

G

D

D

Y

H

G

R

N

M

I

L

P

P

G

R

C

A

T

T

Y

F

C

C

S

Q

P

P

E

N

I

V

A

A

S

S

V

F

G

G

M

L

T

T

E

E

A

Q

K

Q

A

A

K

R

E

N

A

E

G

G

Y

Y

E

D

L

V

R

V

V

V

G

A

K

K

F

F

P

P

F

F

S

T

A
|
A

S

N

G
x
A

K

K

A

A

S

H

A

G

A

V

G

G

A

D

K

P

D

S

G

G

F

F

V

V

K

K

L

L

V

V

F

A

D

D

K

A

K

K

Y

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

I

V

G

G

F

H

N

D

V

V

T

A

E

E

M

L

I

L

A

P

E

E

I

L

V

T

A

L

I

A

R

Q

K

R

L

W

E

D

T

L

T

T

G

A

H

S

E

E

L

L

I

A

K

R

T

N

V

V

H

H

P

T

H
|
H

P

P

T

T

M

M

S

S

E
|
E

A

A

V

L

M

Q

E

E

binding flavin-adenine dinucleotide: L9 (≠ V11), G10 (= G12), G12 (= G14), P13 (= P15), G14 (= G16), V32 (= V34), E33 (= E35), P34 (≠ A36), Y36 (≠ E38), G39 (= G41), V40 (≠ I42), C41 (= C43), G45 (= G47), C46 (= C48), K50 (= K52), Y112 (≠ W114), G113 (= G115), A141 (= A143), T142 (= T144), G143 (= G145), Y161 (= Y164), I182 (= I185), Y276 (≠ C279), G308 (= G310), D309 (= D311), Q315 (≠ A317), L316 (= L318), A317 (= A319), H318 (= H320)
binding N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide: Y16 (= Y18), R93 (≠ M95), G96 (= G98), F99 (= F101), E321 (≠ S323), A381 (= A382), A383 (≠ G384), H443 (= H444), E448 (= E449)

Sites not aligning to the query:

binding N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide: 463, 464

8ct4A Cryo-em structure of mtb lpd bound to inhibitor complex with 2-((2- cyano-n,5-dimethyl-1h-indole)-7-sulfonamido)-n-(4-(oxetan-3-yl)-3,4- dihydro-2h-benzo[b] [1,4]oxazin-7-yl)acetamide
44% identity, 97% coverage: 4:453/465 of query aligns to 2:452/464 of 8ct4A

query
sites
8ct4A

T

T

K

H

F

Y

D

D

L

V

I

V

V

V

V
x
L

G
|
G

S

A

G
|
G

P
|
P

G

G

Y
|
Y

V

V

A

A

I

I

R

R

A

A

S

A

Q

Q

L

L

G

G

L

L

K

S

T

T

A

A

V

I

V

V

E
|
E

A
x
P

A

K

E
x
Y

L

W

G

G

G
|
G

I
x
V

C
|
C

L

L

N

N

W

V

G
|
G

C
|
C

I

I

P

P

T

S

K
|
K

A

A

L

L

K

R

S

N

A

A

Q

E

V

L

F

V

E

H

-

I

Y

F

I

T

N

K

H

D

A

A

A

K

D

A

Y

F

G

G

I

I

T

S

V

-

G

G

D

E

A

V

K

T

A

F

D

D

F

Y

D

G

G

I

I

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

D

E

G

G

M
x
R

S

V

K

A

G

G

V

V

T

H

F
|
F

L

L

M

M

K

K

N

N

K

K

I

I

E

T

V

E

I

I

K

H

G

G

W
x
Y

G
|
G

K

T

I

F

Q

A

P

D

G

A

K

N

K

T

V

L

E

L

V

V

T

D

D

L

S

N

E

D

E

G

K

G

K

T

T

E

V

S

Y

V

S

T

A

F

D

D

N

N

I

A

I

I

A

A

T
|
T

G
|
G

A

S

R

S

S

T

R

R

E

L

L

V

P

P

S

G

M

T

K

S

I

L

D

-

K

S

K

A

K

N

I

V

G

T

Y
|
Y

R

E

E

E

A

Q

M

I

T

L

L

S

D

R

K

E

M

L

P

P

K

K

K

S

M

I

V

I

V

A

G

G

S

A

G

G

A

A

I
|
I

G

G

I

M

E

E

F

F

A

G

Y

Y

F

V

Y

L

A

K

T

N

M

Y

G

G

A

V

E

D

V

V

T

T

I

I

V

V

E

E

Y

F

L

L

D

P

R

R

I

A

V

L

P

P

V

N

E

E

D

D

A

A

E

D

V

V

S

S

K

K

T

E

L

I

E

E

K

K

I

Q

Y

F

K

K

A

L

G

G

M

V

T

T

I

I

M

L

T

T

S

A

S

T

E

K

V

V

T

E

A

S

V

I

D

A

T

D

K

G

G

G

S

S

G

Q

C

V

K

T

V

V

T

T

V

V

K

T

T

K

A

D

K

G

G

V

E

A

E

Q

T

E

L

L

E

K

C

A

D

E

I

K

V

V

L

L

S

Q

A

A

A

I

G

G

V

F

V

A

S

P

N

N

L

V

E

E

N

G

C
x
Y

G

G

L

L

E

D

D

K

V

A

G

G

I

V

-

A

L

L

V

T

D

D

K

R

G

K

K

A

I

I

K

G

V

V

D

D

E

D

Y

Y

Y

M

K

R

T

T

N

N

M

V

P

G

G

H

Y

I

Y

Y

A

A

I

I

G

G

D
|
D

V

V

I

N

P

G

G

L

P

L

A
x
Q

L
|
L

A
|
A

H

H

V

V

A

A

S
x
E

A

A

E

Q

G

G

I

V

C

A

V

A

E

E

K

T

I

I

A

A

G

G

Q

A

N

E

P

T

E

L

P

T

L

L

-

G

D

D

Y

H

G

R

N

M

I

L

P

P

G

R

C

A

T

T

Y

F

C

C

S

Q

P

P

E

N

I

V

A

A

S

S

V

F

G

G

M

L

T

T

E

E

A

Q

K

Q

A

A

K

R

E

N

A

E

G

G

Y

Y

E

D

L

V

R

V

V

V

G

A

K

K

F
|
F

P

P

F

F

S

T

A
|
A

S

N

G
x
A

K

K

A

A

S

H

A

G

A

V

G

G

A

D

K

P

D

S

G

G

F

F

V

V

K

K

L

L

V

V

F

A

D

D

K

A

K

K

Y

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

I

V

G

G

F

H

N

D

V

V

T

A

E

E

M

L

I

L

A

P

E

E

I

L

V

T

A

L

I

A

R

Q

K

R

L

W

E

D

T

L

T

T

G

A

H

S

E

E

L

L

I

A

K

R

T

N

V

V

H

H

P

T

H
|
H

P

P

T

T

M

M

S

S

E
|
E

A
|
A

V

L

M

Q

E
|
E

binding flavin-adenine dinucleotide: L9 (≠ V11), G10 (= G12), G12 (= G14), P13 (= P15), E33 (= E35), P34 (≠ A36), Y36 (≠ E38), G39 (= G41), V40 (≠ I42), C41 (= C43), G45 (= G47), C46 (= C48), K50 (= K52), Y112 (≠ W114), G113 (= G115), T142 (= T144), G143 (= G145), Y161 (= Y164), I182 (= I185), Y276 (≠ C279), D309 (= D311), Q315 (≠ A317), L316 (= L318), A317 (= A319)
binding N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide: Y16 (= Y18), R93 (≠ M95), F99 (= F101), E321 (≠ S323), F377 (= F378), A381 (= A382), A383 (≠ G384), H443 (= H444), E448 (= E449), A449 (= A450), E452 (= E453)

Sites not aligning to the query:

binding N~2~-(2-cyano-5-methyl-1H-indole-7-sulfonyl)-N~2~-methyl-N-[4-(oxetan-3-yl)-3,4-dihydro-2H-1,4-benzoxazin-7-yl]glycinamide: 463

P9WHH9 Dihydrolipoyl dehydrogenase; LPD; Component of peroxynitrite reductase/peroxidase complex; Component of PNR/P; Dihydrolipoamide dehydrogenase; E3 component of alpha-ketoacid dehydrogenase complexes; EC 1.8.1.4 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see 2 papers)
44% identity, 97% coverage: 4:453/465 of query aligns to 2:452/464 of P9WHH9

query
sites
P9WHH9

T

T

K

H

F

Y

D
|
D

L

V

I

V

V

V

V

L

G

G

S

A

G

G

P

P

G

G

Y

Y

V

V

A

A

I

I

R

R

A

A

S

A

Q

Q

L

L

G

G

L

L

K

S

T

T

A

A

V

I

V

V

E
|
E

A
x
P

A
x
K

E
x
Y

L
x
W

G
|
G

I
x
V

C
|
C

L

L

N
|
N

W

V

G

G

C
|
C

I

I

P

P

T

S

K
|
K

A

A

L

L

K

R

S

N

A

A

Q

E

V

L

F

V

E

H

-

I

Y

F

I

T

N

K

H

D

A

A

A

K

D

A

Y

F

G

G

I

I

T

S

V

-

G

G

D

E

A

V

K

T

A

F

D

D

F

Y

D

G

G

I

I

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

D

E

G

G

M
x
R

S

V

K

A

G

G

V

V

T

H

F

F

L

L

M

M

K

K

K
|
K

N

N

K

K

I

I

E

T

V

E

I

I

K

H

G

G

W

Y

G

G

K

T

I

F

Q

A

P

D

G

A

K

N

K

T

V

L

E

L

V

V

T

D

D

L

S

N

E

D

E

G

K

G

K

T

T

E

V

S

Y

V

S

T

A

F

D

D

N

N

I

A

I

I

A

A

T

T

G

G

A

S

R

S

S

T

R

R

E

L

L

V

P

P

S

G

M

T

K

S

I

L

D

-

K

S

K

A

K

N

I

V

G

T

Y

Y

R

E

E

E

A

Q

M

I

T

L

L

S

D

R

K

E

M

L

P

P

K

K

K

S

M

I

V

I

V

A

G

G

S

A

G

G

A

A

I

I

G

G

I

M

E

E

F

F

A

G

Y

Y

F

V

Y

L

A

K

T

N

M

Y

G

G

A

V

E

D

V

V

T

T

I

I

V

V

E

E

Y

F

L

L

D

P

R

R

I

A

V

L

P

P

V

N

E

E

D

D

A

A

E

D

V

V

S

S

K

K

T

E

L

I

E

E

K

K

I

Q

Y

F

K

K

A

L

G

G

M

V

T

T

I

I

M

L

T

T

S

A

S

T

E

K

V

V

T

E

A

S

V

I

D

A

T

D

K

G

G

G

S

S

G

Q

C

V

K

T

V

V

T

T

V

V

K

T

T

K

A

D

K

G

G

V

E

A

E

Q

T

E

L

L

E

K

C

A

D

E

I

K

V

V

L

L

S

Q

A

A

A

I

G

G

V

F

V

A

S

P

N

N

L

V

E

E

N

G

C

Y

G

G

L

L

E

D

D

K

V

A

G

G

I

V

-

A

L

L

V

T

D

D

K

R

G

K

K

A

I

I

K

G

V

V

D

D

E

D

Y

Y

Y

M

K

R

T

T

N

N

M

V

P

G

G

H

Y

I

Y

Y

A

A

I

I

G

G

D
|
D

V

V

I

N

P

G

G

L

P

L

A

Q

L

L

A
|
A

H

H

V

V

A

A

S

E

A

A

E

Q

G

G

I

V

C

A

V

A

E

E

K

T

I

I

A

A

G

G

Q

A

N

E

P

T

E

L

P

T

L

L

-

G

D

D

Y

H

G

R

N

M

I

L

P

P

G

R

C

A

T

T

Y

F

C

C

S

Q

P

P

E

N

I

V

A

A

S

S

V

F

G

G

M

L

T

T

E

E

A

Q

K

Q

A

A

K

R

E

N

A

E

G

G

Y

Y

E

D

L

V

R

V

V

V

G

A

K

K

F

F

P

P

F

F

S

T

A

A

S

N

G

A

K

K

A

A

S
x
H

A

G

A

V

G

G

A

D

K

P

D

S

G

G

F

F

V

V

K

K

L

L

V

V

F

A

D

D

K

A

K

K

Y

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

I

V

G

G

F

H

N

D

V

V

T

A

E

E

M

L

I

L

A

P

E

E

I

L

V

T

A

L

I

A

R

Q

K

R

L

W

E

D

T

L

T

T

G

A

H

S

E

E

L

L

I

A

K

R

T

N

V

V

H

H

P

T

H

H

P

P

T

T

M

M

S

S

E

E

A

A

V

L

M

Q

E

E

D5 (= D7) mutation to A: Reduces lipoamide dehydrogenase activity by 95%.
33:41 (vs. 35:43, 44% identical) binding FAD
C41 (= C43) modified: Disulfide link with 46, Redox-active
N43 (= N45) mutation to A: Reduces lipoamide dehydrogenase activity by 89%.
C46 (= C48) modified: Disulfide link with 41, Redox-active
K50 (= K52) binding FAD
R93 (≠ M95) mutation to A: Reduces lipoamide dehydrogenase activity by 94%.; mutation to E: Reduces lipoamide dehydrogenase activity by 96%.
K103 (= K105) mutation to E: Reduces lipoamide dehydrogenase activity by 82%.
D309 (= D311) binding FAD
A317 (= A319) binding FAD
H386 (≠ S387) mutation to K: Reduces lipoamide dehydrogenase activity by 91%.

Sites not aligning to the query:

464 F→A: Reduces lipoamide dehydrogenase activity by 95%.

3ii4A Structure of mycobacterial lipoamide dehydrogenase bound to a triazaspirodimethoxybenzoyl inhibitor (see paper)
44% identity, 97% coverage: 4:453/465 of query aligns to 1:451/463 of 3ii4A

query
sites
3ii4A

T

T

K

H

F

Y

D

D

L

V

I

V

V

V

V
x
L

G
|
G

S

A

G
|
G

P
|
P

G
|
G

G

G

Y

Y

V

V

A

A

I

I

R

R

A

A

S

A

Q

Q

L

L

G

G

L

L

K

S

T

T

A

A

V

I

V
|
V

E
|
E

A
x
P

A

K

E
x
Y

L
x
W

G

G

G
|
G

I
x
V

C
|
C

L

L

N

N

W

V

G
|
G

C
|
C

I

I

P

P

T
x
S

K
|
K

A

A

L

L

K

R

S

N

A

A

Q

E

V

L

F

V

E

H

-

I

Y

F

I

T

N

K

H

D

A

A

A

K

D

A

Y

F

G

G

I

I

T

S

V

-

G

G

D

E

A

V

K

T

A

F

D

D

F

Y

D

G

G

I

I

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

D

E

G

G

M

R

S

V

K

A

G

G

V

V

T

H

F

F

L

L

M

M

K

K

N

N

K

K

I

I

E

T

V

E

I

I

K

H

G

G

W
x
Y

G
|
G

K

T

I

F

Q

A

P

D

G

A

K

N

K

T

V

L

E

L

V

V

T

D

D

L

S

N

E

D

E

G

K

G

K

T

T

E

V

S

Y

V

S

T

A

F

D

D

N

N

I

A

I

I

A
|
A

T
|
T

G
|
G

A

S

R

S

S

T

R
|
R

E

L

L

V

P

P

S

G

M

T

K

S

I

L

D

-

K

S

K

A

K

N

I

V

G

T

Y
|
Y

R

E

E

E

A

Q

M

I

T

L

L

S

D

R

K

E

M

L

P

P

K

K

K

S

M

I

V

I

V

A

G

G

S

A

G

G

A
|
A

I
|
I

G

G

I

M

E
|
E

F

F

A

G

Y

Y

F

V

Y

L

A

K

T

N

M

Y

G

G

A

V

E

D

V

V

T

T

I

I

V

V

E

E

Y

F

L

L

D

P

R

R

I

A

V

L

P

P

V
x
N

E
|
E

D

D

A

A

E

D

V

V

S

S

K

K

T

E

L

I

E

E

K

K

I

Q

Y

F

K

K

A

L

G

G

M

V

T

T

I

I

M

L

T

T

S

A

S

T

E

K

V

V

T

E

A

S

V

I

D

A

T

D

K

G

G

G

S

S

G

Q

C

V

K

T

V

V

T

T

V

V

K

T

T

K

A

D

K

G

G

V

E

A

E

Q

T

E

L

L

E

K

C

A

D

E

I

K

V

V

L

L

S

Q

A

A

A

I

G

G

V
x
F

V

A

S

P

N

N

L

V

E

E

N

G

C
x
Y

G

G

L

L

E

D

D

K

V

A

G

G

I

V

-

A

L

L

V

T

D

D

K
x
R

G

K

K

A

I

I

K

G

V

V

D

D

E

D

Y

Y

Y

M

K

R

T

T

N

N

M

V

P

G

G

H

Y

I

Y

Y

A

A

I

I

G
|
G

D
|
D

V

V

I

N

P
x
G

G

L

P

L

A
x
Q

L
|
L

A
|
A

H

H

V

V

A

A

S

E

A

A

E

Q

G

G

I

V

C

A

V

A

E

E

K

T

I

I

A

A

G

G

Q

A

N

E

P

T

E

L

P

T

L

L

-

G

D

D

Y

H

G

R

N

M

I

L

P

P

G
x
R

C
x
A

T

T

Y

F

C

C

S

Q

P

P

E

N

I

V

A

A

S

S

V

F

G

G

M

L

T

T

E

E

A

Q

K

Q

A

A

K

R

E

N

A

E

G

G

Y

Y

E

D

L

V

R

V

V

V

G

A

K

K

F

F

P

P

F

F

S

T

A

A

S

N

G

A

K

K

A

A

S

H

A

G

A

V

G

G

A

D

K

P

D

S

G

G

F

F

V

V

K

K

L

L

V

V

F

A

D

D

K

A

K

K

Y

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

I

V

G

G

F

H

N

D

V

V

T

A

E

E

M

L

I

L

A

P

E

E

I

L

V

T

A

L

I

A

R

Q

K

R

L

W

E

D

T

L

T

T

G

A

H

S

E

E

L

L

I

A

K

R

T

N

V

V

H
|
H

P

T

H
|
H

P

P

T

T

M

M

S

S

E
|
E

A

A

V

L

M

Q

E

E

active site: W36 (≠ L39), C40 (= C43), C45 (= C48), S48 (≠ T51), A180 (= A184), E184 (= E188), H440 (= H442), H442 (= H444), E447 (= E449)
binding N-[2-(2,4-dichlorophenyl)ethyl]-2-{8-[(2,4-dimethoxyphenyl)carbonyl]-4-oxo-1-phenyl-1,3,8-triazaspiro[4.5]dec-3-yl}acetamide: R146 (= R149), A180 (= A184), I181 (= I185), E184 (= E188), N208 (≠ V212), E209 (= E213), F268 (≠ V272), R287 (≠ K290), G311 (≠ P314), Q314 (≠ A317), L315 (= L318), R346 (≠ G348), A347 (≠ C349)
binding flavin-adenine dinucleotide: L8 (≠ V11), G9 (= G12), G11 (= G14), P12 (= P15), G13 (= G16), V31 (= V34), E32 (= E35), P33 (≠ A36), Y35 (≠ E38), G38 (= G41), V39 (≠ I42), C40 (= C43), G44 (= G47), C45 (= C48), K49 (= K52), Y111 (≠ W114), G112 (= G115), A140 (= A143), T141 (= T144), G142 (= G145), Y160 (= Y164), I181 (= I185), Y275 (≠ C279), G307 (= G310), D308 (= D311), Q314 (≠ A317), L315 (= L318), A316 (= A319)

6awaA 1.83 angstrom resolution crystal structure of dihydrolipoyl dehydrogenase from pseudomonas putida in complex with fad and adenosine-5'-monophosphate.
41% identity, 100% coverage: 3:465/465 of query aligns to 2:472/475 of 6awaA

query
sites
6awaA

S

T

T

Q

K

K

F

F

D

D

L

V

I

V

V

V

V
x
I

G

G

S

A

G
|
G

P
|
P

G
|
G

G

G

Y

Y

V

V

A

A

I

I

R

K

A

A

S

A

Q

Q

L

L

G

G

L

L

K

K

T

T

A

A

V

C

V

I

E
|
E

A
x
K

-

Y

-

T

-

D

A

A

E

E

-

G

-

K

-

L

-

A

L
|
L

G

G

I
x
T

C
|
C

L

L

N

N

W

V

G
|
G

C
|
C

I

I

P

P

T
x
S

K
|
K

A

A

L

L

K

D

S

S

A

S

Q

W

V

K

F

Y

E

K

Y

E

I

A

N

K

H

E

A

S

A

F

D

N

-

V

Y

H

G

G

I

I

T

S

V

T

G

G

D

E

A

V

K

K

A

M

D

D

F

V

D

A

G

A

I

M

V

V

K

G

R

R

S

K

R

A

G

G

V

I

A

V

D

K

G

N

M

L

S

T

K

G

G

G

V

V

T

A

F

T

L

L

M

F

K

K

K

A

N

N

K

G

I

V

E

T

V

S

I

I

K

Q

G

G

W
x
H

G
|
G

K

K

I

L

Q

L

P

A

G

G

K

K

V

V

E

E

V

V

T

T

D

K

S

A

E

D

E

G

K

T

T

E

V

V

Y

I

S

E

A

A

D

E

N

N

I

V

I

I

I

L

A

A

T
x
S

G
|
G

A

S

R

R

S

P

R

I

E

D

L

I

P

P

S

P

M

A

K

P

I

V

D

D

K

Q

K

N

K

V

I

I

I

V

G

D

Y

S

R

T

E

G

A

A

M

L

T

E

L

F

D

Q

K

A

M

V

P

P

K

K

K

R

M

L

V

G

V

V

V
x
I

G

G

S

A

G

G

A
x
V

I
|
I

G

G

I

L

E
|
E

F

L

A

G

Y

S

F

V

Y

W

A

A

T

R

M

L

G

G

A

A

E

E

V

V

T

T

I

V

V

L

E
|
E

Y
x
A

L
|
L

D

D

R

T

I

F

V

L

P

M

V

A

E

A

D

D

A

T

E

A

V

V

S

S

K

K

T

E

L

A

E

Q

K

K

I

T

Y

L

K

T

K

K

A

Q

G

G

M

L

T

D

I

I

M

K

T

L

S

G

S

A

E

R

V
|
V

T

T

A

G

V

S

D

K

T

V

K

N

G

G

S

N

G

E

C

V

K

E

V

V

T

T

V

Y

K

T

T

N

A

A

K

E

G

G

E

E

E

Q

T

K

L

I

E

T

C

F

D

D

I

K

V

L

L

I

S

V

A

A

A
x
V

G

G

V
x
R

V

R

S

P

N

V

L

T

E

T

N

D

C

L

G

L

L

A

E

S

D

D

V

S

G

G

I

V

L

T

V

I

D

D

-

E

K

R

G

G

K

Y

I

I

K

F

V

V

D

D

E

D

Y

Y

Y

C

K

A

T

T

N

S

M

V

P

P

G

G

Y

V

Y

Y

A

A

I

I

G
|
G

D
|
D

V

V

I

V

P

R

G

G

P

M

A
x
M

L
|
L

A
|
A

H

H

V

K

A

A

S

S

A

E

E

E

G

G

I

I

I

M

C

V

V

V

E

E

K

R

I

I

A

K

G

G

Q

H

N

K

P

A

E

Q

P

-

L

M

D

N

Y

Y

G

D

N

L

I

I

P

P

G

S

C

V

T

I

Y
|
Y

C

T

S

H

P

P

E

E

I

I

A

A

S

W

V

V

G

G

M

K

T

T

E

E

A

Q

K

A

A

L

K

K

E

A

A

E

G

G

Y

V

E

E

L

V

R

N

V

V

G

G

K

T

F

F

P

P

F

F

S

A

A

A

S

S

G

G

K

R

A

A

S

M

A

A

G

N

A

D

K

T

D

G

G

G

F

F

V

V

K

K

L

V

V

I

F

A

D

D

K

A

K

K

Y

T

G

D

E

R

L

V

L

L

G

G

A

V

H

H

M

V

I

I

G

G

F

P

N

S

V

A

T

A

E

E

M

L

I

V

A

Q

E

Q

I

G

V

A

A

I

I

A

R

M

K

E

L

F

E

G

T

T

T

S

G

A

H

E

E

D

L

L

I

G

K

M

T

M

V

V

H
x
F

P

S

H
|
H

P

P

T

T

M

L

S

S

E
|
E

A

A

V

L

M

H

E

E

A

A

A

L

A

A

A

V

Y

N

D

G

E

G

V

A

I

I

H

H

L

V

active site: L45 (= L39), C49 (= C43), C54 (= C48), S57 (≠ T51), V191 (≠ A184), E195 (= E188), F449 (≠ H442), H451 (= H444), E456 (= E449)
binding adenosine monophosphate: I187 (≠ V180), E211 (= E204), A212 (≠ Y205), L213 (= L206), V245 (= V238), V277 (≠ A270)
binding flavin-adenine dinucleotide: I10 (≠ V11), G13 (= G14), P14 (= P15), G15 (= G16), E34 (= E35), K35 (≠ A36), T48 (≠ I42), C49 (= C43), G53 (= G47), C54 (= C48), K58 (= K52), H121 (≠ W114), G122 (= G115), S151 (≠ T144), G152 (= G145), I192 (= I185), R279 (≠ V272), G318 (= G310), D319 (= D311), M325 (≠ A317), L326 (= L318), A327 (= A319), Y358 (= Y351)

Sites not aligning to the query:

active site: 474, 475

2yquB Crystal structures and evolutionary relationship of two different lipoamide dehydrogenase(e3s) from thermus thermophilus
41% identity, 99% coverage: 6:465/465 of query aligns to 2:455/455 of 2yquB

query
sites
2yquB

F

Y

D

D

L

L

I

L

V

V

V

I

G
|
G

S

A

G
|
G

P
|
P

G
|
G

G

G

Y

Y

V

V

A

A

I

I

R

R

A

A

S

A

Q

Q

L

L

G

G

L

M

K

K

T

V

A

G

V

V

E
|
E

A
x
K

A

E

E

K

-

A

L
|
L

G

G

G
|
G

I
x
T

C
|
C

L

L

N
x
R

W

V

G
|
G

C
|
C

I

I

P

P

T
x
S

K
|
K

A

A

L

L

K

E

S

T

A

T

Q

E

V

R

F

I

E

-

Y

Y

I

E

N

A

H

K

A

K

A

G

D

L

Y

L

G

G

I

A

T

K

V

V

G

K

D
x
G

A
x
V

K

E

A

L

D

D

F

L

D

P

G

A

I

L

V

M

K

A

R

H

S

K

R

D

G

K

V

V

A

V

D

Q

G

A

M

N

S

T

K

Q

G

G

V

V

T

E

F

F

L

L

M

F

K

K

N

N

K

G

I

I

E

A

V

R

I

H

K

Q

G

G

W
x
T

G
x
A

K

R

I

F

Q

L

P

S

G

E

K

R

K

K

V

V

E

L

V

V

T

E

D

E

S

T

E

G

E

E

K

E

K

-

T

-

V

-

Y

L

S

E

A

A

D

R

N

Y

I

I

I

L

I

I

A

A

T
|
T

G
|
G

A

S

R

A

S

P

R

L

E

I

L

P

P

P

S

W

M

A

K

Q

I

V

D

D

K

Y

K

E

K

R

I

V

G

T

Y

S

R

T

E

E

A

A

M

L

T

S

L

F

D

P

K

E

M

V

P

P

K

K

K

R

M

L

V

I

V

V

G

G

S

G

G

G

A
x
V

I
|
I

G

G

I

L

E
|
E

F

L

A

G

Y

V

F

V

Y

W

A

H

T

R

M

L

G

G

A

A

E

E

V

V

T

I

I

V

V

L

E

E

Y

Y

L

M

D

D

R

R

I

I

V

L

P

P

V

T

E

M

D

D

A

L

E

E

V

V

S

S

K

R

T

A

L

A

E

E

K

R

I

V

Y

F

K

K

A

Q

G

G

M

L

T

T

I

I

M

R

T

T

S

G

S

V

E

R

V

V

T

T

A

A

V

V

D

V

T

P

K

E

G

A

S

K

G

G

C

A

K

R

V

V

T

E

V

L

K

E

T

-

A

-

K

-

G

G

E

G

E

E

T

V

L

L

E

E

C

A

D

D

I

R

V

V

L

L

S

V

A

A

A

V

G

G

V

R

S

P

N
x
Y

L

T

E

E

N

G

C

L

G

S

L

L

E

E

D

N

V

A

G

G

I

L

L

S

V

T

D

D

-

E

K

R

G

G

K

R

I

I

K

P

V

V

D

D

E

E

Y

H

Y

L

K

R

T

T

N

R

M

V

P

P

G

H

Y

I

Y

Y

A

A

I

I

G
|
G

D
|
D

V

V

I

V

P

R

G

G

P

P

A
x
M

L
|
L

A
|
A

H
|
H

V

K

A

A

S
|
S

A

E

E

E

G

G

I

I

I

A

C

A

V

V

E

E

K

H

I

M

A

V

G

-

Q

R

N

G

P

F

E

G

P

H

L

V

D

D

Y

Y

G

Q

N

A

I

I

P

P

G

S

C

V

T

V

Y

Y

C

T

S

H

P

P

E

E

I

I

A

A

S

A

V

V

G

G

M

Y

T

T

E

E

A

E

K

E

A

L

K

K

E

A

A

Q

G

G

Y

I

E

P

L

Y

R

K

V

V

G

G

K

K

F

F

P

P

F

Y

S

S

A

A

S

S

G

G

K

R

A

A

S

R

A

A

A

M

G

G

A

E

K

T

D

E

G

G

F

F

V

I

K

K

L

V

V

L

F

A

D

H

K

A

K

K

Y

T

G

D

E

R

L

I

L

L

G

G

A

V

H

H

M

G

I

I

G

G

F

A

N

R

V

V

T

G

E

D

M

V

I

L

A

A

E

E

I

A

V

A

A

L

I

A

R

L

K

F

L

F

E

K

T

A

T
x
S

G

A

H

E

E
x
D

L

L

I

G

K

R

T

A

V

P

H
|
H

P

A

H
|
H

P

P

T

S

M

L

S

S

E
|
E

A

I

V

L

M

K

E

E

A

A

A

L

A

A

Y

W

D

E

E

R

V

P

I

I

H

H

L

L

active site: P11 (= P15), L36 (= L39), C40 (= C43), C45 (= C48), S48 (≠ T51), G72 (≠ D76), V73 (≠ A77), V177 (≠ A184), E181 (= E188), S314 (= S323), H432 (= H442), H434 (= H444), E439 (= E449)
binding carbonate ion: A310 (= A319), S314 (= S323), S423 (≠ T433), D426 (≠ E436)
binding flavin-adenine dinucleotide: G8 (= G12), G10 (= G14), P11 (= P15), G12 (= G16), E31 (= E35), K32 (≠ A36), G38 (= G41), T39 (≠ I42), C40 (= C43), R42 (≠ N45), G44 (= G47), C45 (= C48), K49 (= K52), T110 (≠ W114), A111 (≠ G115), T137 (= T144), G138 (= G145), I178 (= I185), Y265 (≠ N275), G301 (= G310), D302 (= D311), M308 (≠ A317), L309 (= L318), A310 (= A319), H311 (= H320)

2yquA Crystal structures and evolutionary relationship of two different lipoamide dehydrogenase(e3s) from thermus thermophilus
41% identity, 99% coverage: 6:465/465 of query aligns to 2:455/455 of 2yquA

query
sites
2yquA

F

Y

D

D

L

L

I

L

V

V

V

I

G
|
G

S

A

G
|
G

P
|
P

G
|
G

G

G

Y

Y

V

V

A

A

I

I

R

R

A

A

S

A

Q

Q

L

L

G

G

L

M

K

K

T

V

A

G

V

V

E
|
E

A
x
K

A

E

E

K

-

A

L
|
L

G

G

G
|
G

I
x
T

C
|
C

L

L

N
x
R

W

V

G
|
G

C
|
C

I

I

P

P

T
x
S

K
|
K

A

A

L

L

K

E

S

T

A

T

Q

E

V

R

F

I

E

-

Y

Y

I

E

N

A

H

K

A

K

A

G

D

L

Y

L

G

G

I

A

T

K

V

V

G

K

D
x
G

A
x
V

K

E

A

L

D

D

F

L

D

P

G

A

I

L

V

M

K

A

R

H

S

K

R

D

G

K

V

V

A

V

D

Q

G

A

M

N

S

T

K

Q

G

G

V

V

T

E

F

F

L

L

M

F

K

K

N

N

K

G

I

I

E

A

V

R

I

H

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Q

G

G

W
x
T

G
x
A

K

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Q

L

P

S

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K

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K

K

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V

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N

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I

I

I

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I

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A

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G

A

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A

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E

I

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M

A

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D

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K

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x
S

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A

A

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F

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P

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x
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I

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E

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A

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A

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D

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x
M

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L

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A

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H

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|
S

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G

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Y

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G

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L

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V

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A

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L

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A

T

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A

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D

L

L

I

G

K

R

T

A

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P

H
|
H

P

A

H
|
H

P

P

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S

M

L

S

S

E
|
E

A

I

V

L

M

K

E

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I

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L

active site: P11 (= P15), L36 (= L39), C40 (= C43), C45 (= C48), S48 (≠ T51), G72 (≠ D76), V73 (≠ A77), V177 (≠ A184), E181 (= E188), S314 (= S323), H432 (= H442), H434 (= H444), E439 (= E449)
binding flavin-adenine dinucleotide: G8 (= G12), G10 (= G14), P11 (= P15), G12 (= G16), E31 (= E35), K32 (≠ A36), G38 (= G41), T39 (≠ I42), C40 (= C43), R42 (≠ N45), G44 (= G47), C45 (= C48), K49 (= K52), T110 (≠ W114), A111 (≠ G115), T137 (= T144), G138 (= G145), S157 (≠ Y164), I178 (= I185), Y265 (≠ N275), G301 (= G310), D302 (= D311), M308 (≠ A317), L309 (= L318), A310 (= A319)

P18925 Dihydrolipoyl dehydrogenase; Dihydrolipoamide dehydrogenase; E3 component of pyruvate complex; EC 1.8.1.4 from Azotobacter vinelandii (see 2 papers)
39% identity, 100% coverage: 3:465/465 of query aligns to 2:472/477 of P18925

query
sites
P18925

S

S

T

Q

K

K

F

F

D

D

L

V

I

I

V

V

V

I

G

G

S

A

G

G

P

P

G

G

Y

Y

V

V

A

A

I

I

R

K

A

S

S

A

Q

Q

L

L

G

G

L

L

K

K

T

T

A

A

V

L

V

I

E
|
E

A
x
K

-
x
Y

-
x
K

-
x
G

-
x
K

-
x
E

-
x
G

-
x
K

A
x
T

E
x
A

L
|
L

G
|
G

I
x
T

C
|
C

L

L

N

N

W

V

G

G

C
|
C

I

I

P

P

T

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K
|
K

A

A

L

L

K

D

S

S

A

S

Q

Y

V

K

F

F

E

H

Y

E

I

A

N

H

H

E

A

S

A

F

D

K

-

L

Y

H

G

G

I

I

T

S

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T

G

G

D

E

A

V

K

A

A

I

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D

F

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D

P

G

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M

V

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K

A

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I

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S

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G

G

G

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A

F

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L

M

I

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K

K

A

N

N

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I

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W

H

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G

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A

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G

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K

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E

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S

A

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A

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A

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G

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G

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A

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M

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D

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A

A

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A

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A

A

A

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G

G

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R

A

A

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M

A

A

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N

A

D

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T

D

A

G

G

F

F

V

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L

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I

F

A

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D

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A

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L

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A

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A

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E

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D

L

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T

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T

A

M

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E

A

A

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H

E

E

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E

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A

I

I

H

H

L

V

34:49 (vs. 35:43, 31% identical) binding FAD
C49 (= C43) modified: Disulfide link with 54, Redox-active
C54 (= C48) modified: Disulfide link with 49, Redox-active
K58 (= K52) binding FAD
D319 (= D311) binding FAD
A327 (= A319) binding FAD

3ladA Refined crystal structure of lipoamide dehydrogenase from azotobacter vinelandii at 2.2 angstroms resolution. A comparison with the structure of glutathione reductase (see paper)
39% identity, 100% coverage: 3:465/465 of query aligns to 1:471/472 of 3ladA

query
sites
3ladA

S

S

T

Q

K

K

F

F

D

D

L

V

I

I

V

V

V
x
I

G
|
G

S

A

G
|
G

P
|
P

G

G

Y

Y

V

V

A

A

I

I

R

K

A

S

S

A

Q

Q

L

L

G

G

L

L

K

K

T

T

A

A

V

L

V

I

E
|
E

A
x
K

-

Y

-

K

-

G

-

K

-

E

-

G

-

K

A

T

E

A

L
|
L

G

G

G
|
G

I
x
T

C
|
C

L

L

N

N

W

V

G
|
G

C
|
C

I

I

P

P

T
x
S

K

K

A

A

L

L

K

D

S

S

A

S

Q

Y

V

K

F

F

E

H

Y

E

I

A

N

H

H

E

A

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A

F

D

K

-

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Y

H

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G

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I

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T

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G

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A

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A

A

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K

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Q

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G

N

M

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T

K

G

G

G

V

V

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A

F

S

L

L

M

I

K

K

K

A

N

N

K

G

I

V

E

T

V

L

I

F

K

E

G

G

W
x
H

G
|
G

K

K

I

L

Q

L

P

A

G

G

K

K

V

V

E

E

V

V

T

T

D

A

S

A

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D

E

G

K

S

T

Q

V

V

Y

L

S

D

A

T

D

E

N

N

I

V

I

I

I

L

A
|
A

T
x
S

G
|
G

A

S

R

K

S

P

R

V

E

E

L

I

P

P

S

P

M

A

K

P

I

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D

D

K

Q

K

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K

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G

A

A

M

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F

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M

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P

K

G

K

K

M

L

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G

V

V

V

I

G

G

S

A

G

G

A
x
V

I
|
I

G

G

I

L

E
|
E

F

L

A

G

Y

S

F

V

Y

W

A

A

T

R

M

L

G

G

A

A

E

E

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T

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L

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Y

A

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M

D

D

R

K

I

F

V

L

P

P

V

A

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V

D

D

A

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E

Q

V

V

S

A

K

K

T

E

L

A

E

Q

K

K

I

I

Y

L

K

T

K

K

A

Q

G

G

M

L

T

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I

I

M

L

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L

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K

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N

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C

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F

K

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D

A

A

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G

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E

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A

C

F

D

D

I

K

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L

L

I

S

V

A

A

A

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G

G

V
x
R

V

R

S

P

N

V

L

T

E

T

N

D

C

L

G

L

L

A

E

A

D

D

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S

G

G

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L

D

D

-

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K

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G

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F

I

I

K

Y

V

V

D

D

E

D

Y

Y

Y

C

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A

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T

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M

V

P

P

G

G

Y

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Y

Y

A

A

I

I

G

G

D
|
D

V

V

I

V

P

R

G

G

P

A

A

M

L
|
L

A
|
A

H

H

V

K

A

A

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A

E

E

E

G

G

I

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C

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F

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P

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A

A

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A

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A

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N

A

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K

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D

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G

F

F

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K

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V

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D

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A

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K

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L

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Q

E

Q

I

G

V

A

A

I

I

A

R

M

K

E

L

F

E

G

T

T

T

S

G

A

H

E

E

D

L

L

I

G

K

M

T

M

V

V

H
x
F

P

A

H
|
H

P

P

T

A

M

L

S

S

E
|
E

A

A

V

L

M

H

E

E

A

A

A

L

A

A

A

V

Y

S

D

G

E

H

V

A

I

I

H

H

L

V

active site: L44 (= L39), C48 (= C43), C53 (= C48), S56 (≠ T51), V190 (≠ A184), E194 (= E188), F448 (≠ H442), H450 (= H444), E455 (= E449)
binding flavin-adenine dinucleotide: I9 (≠ V11), G10 (= G12), G12 (= G14), P13 (= P15), E33 (= E35), K34 (≠ A36), G46 (= G41), T47 (≠ I42), C48 (= C43), G52 (= G47), C53 (= C48), H120 (≠ W114), G121 (= G115), A149 (= A143), S150 (≠ T144), G151 (= G145), I191 (= I185), R278 (≠ V272), D318 (= D311), L325 (= L318), A326 (= A319)

P11959 Dihydrolipoyl dehydrogenase; Dihydrolipoamide dehydrogenase; E3 component of pyruvate complex; EC 1.8.1.4 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
40% identity, 99% coverage: 7:465/465 of query aligns to 11:467/470 of P11959

query
sites
P11959

D

E

L

T

I

L

V

V

G

G

S

A

G

G

P

P

G

G

Y

Y

V

V

A

A

I

I

R

R

A

A

S

A

Q

Q

L

L

G

G

L

Q

K

K

T

V

A

T

V

I

V

V

E
|
E

A
x
K

A
x
G

E
x
N

L
|
L

G
|
G

I
x
V

C
|
C

L

L

N

N

W

V

G

G

C

C

I

I

P

P

T

S

K
|
K

A

A

L

L

L

I

K

S

S

A

A

S

Q

H

V

R

F

Y

E

E

Y

Q

I

A

N

K

H

H

A

S

A

E

D

E

Y

M

G

G

I

I

T

K

V

A

G

E

D

N

A

V

K

T

A

I

D

D

F

F

D

A

G

K

I

V

V

Q

K

E

R

W

S

K

R

A

G

S

V

V

A

V

D

K

G

K

M

L

S

T

K

G

G

G

V

V

T

E

F

G

L

L

M

L

K

K

K

G

N

N

K

K

I

V

E

E

V

I

I

V

K

K

G

G

W

E

G

A

K

Y

I

F

Q

V

P

D

G

A

K

N

K

T

V

V

E

R

V

V

T

V

D

N

S

G

E

D

E

S

K

A

K

Q

T

T

V

-

Y

Y

S

T

A

F

D

K

N

N

I

A

I

I

A

A

T

T

G

G

A

S

R

R

S

P

R

I

E

E

L

L

P

P

S

N

M

F

K

K

I

F

D

S

K

-

K

N

K

R

I

I

I

L

G

D

Y

S

R

T

E

G

A

A

M

L

T

N

L

L

D

G

K

E

M

V

P

P

K

K

K

S

M

L

V

V

V

I

G

G

S

G

G

G

A

Y

I

I

G

G

I

I

E

E

F

L

A

G

Y

T

F

A

Y

Y

A

A

T

N

M

F

G

G

A

T

E

K

V

V

T

T

I

I

V

L

E

E

Y

G

L

A

D

G

R

E

I

I

V

L

P

S

V

G

E

F

D

E

A

K

E

Q

V

M

S

A

K

A

T

I

L

I

E

K

K

K

I

R

Y

L

K

K

A

K

G

G

M

V

T

E

I

V

M

V

T

T

S

N

S

A

E

L

V

A

T

K

A

G

V

A

D

E

T

E

K

R

G

E

S

D

G

G

C

V

K

T

V

V

T

T

V

Y

K

E

T

A

A

N

K

G

G

E

E

T

E

K

T

T

L

I

E

D

C

A

D

D

I

Y

V

V

L

L

S

V

A

T

A

V

G

G

V

R

S

P

N

N

L

T

E

D

N

E

C

L

G

G

L

L

E

E

D

Q

V

I

G

G

I

I

-

K

L

M

V

T

D

N

K

R

G

G

K

L

I

I

K

E

V

V

D

D

E

Q

Y

Q

Y

C

K

R

T

T

N

S

M

V

P

P

G

N

Y

I

Y

F

A

A

I

I

G

G

D
|
D

V

I

I

V

P

P

G

G

P

P

A

A

L

L

A
|
A

H

H

V

K

A

A

S

S

A

Y

E

E

G

G

I

K

I

V

C

A

V

A

E

E

K

A

I

I

A

A

G

G

Q

-

N

H

P

P

E

S

P

A

L

V

D

D

Y

Y

G

V

N

A

I

I

P

P

G

A

C

V

T

V

Y

F

C

S

S

D

P

P

E

E

I

C

A

A

S

S

V

V

G

G

M

Y

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F

E

E

A

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Q

A

A

K

K

E

D

A

E

G

G

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I

E

D

L

V

R

I

V

A

G

A

K

K

F

F

P

P

F

F

S

A

A

A

S

N

G

G

K

R

A

A

S

L

A

A

A

L

G

N

A

D

K

T

D

D

G

G

F

F

V

L

K

K

L

L

V

V

F

V

D

R

K

K

K

E

Y

D

G

G

E

V

L

I

G

G

A

A

H

Q

M

I

I

I

G

G

F

P

N

N

V

A

T

S

E

D

M

M

I

I

A

A

E

E

I

L

V

G

A

L

I

A

R

I

K

E

L

A

E

G

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M

T

T

G

A

H

E

E

D

L

I

I

A

K

L

T

T

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I

H

H

P

A

H

H

P

P

T

T

M

L

S

G

E

E

A

I

V

A

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M

E

E

A

A

A

E

A

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A

A

Y

L

D

G

E

T

V

P

I

I

H

H

L

I

39:47 (vs. 35:43, 56% identical) binding FAD
K56 (= K52) binding FAD
D314 (= D311) binding FAD
A322 (= A319) binding FAD

2eq7A Crystal structure of lipoamide dehydrogenase from thermus thermophilus hb8 with psbdo
41% identity, 98% coverage: 6:461/465 of query aligns to 2:451/452 of 2eq7A

query
sites
2eq7A

F

Y

D

D

L

L

I

L

V

V

V

I

G

G

S

A

G
|
G

P
|
P

G
|
G

G

G

Y

Y

V

V

A

A

I

I

R

R

A

A

S

A

Q

Q

L

L

G

G

L

M

K

K

T

V

A

G

V

V

E
|
E

A
x
K

A

E

E

K

-

A

L
|
L

G

G

G
|
G

I
x
T

C
|
C

L

L

N
x
R

W

V

G
|
G

C
|
C

I

I

P

P

T
x
S

K
|
K

A

A

L

L

K

E

S

T

A

T

Q

E

V

R

F

I

E

-

Y

Y

I

E

N

A

H

K

A

K

A

G

D

L

Y

L

G

G

I

A

T

K

V

V

G

K

D
x
G

A
x
V

K

E

A

L

D

D

F

L

D

P

G

A

I

L

V

M

K

A

R

H

S

K

R

D

G

K

V

V

A

V

D

Q

G

A

M

N

S

T

K

Q

G

G

V

V

T

E

F

F

L

L

M

F

K

K

N

N

K

G

I

I

E

A

V

R

I

H

K

Q

G

G

W
x
T

G
x
A

K

R

I

F

Q

L

P

S

G

E

K

R

K

K

V

V

E

L

V

V

T

E

D

E

S

T

E

G

E

E

K

E

K

-

T

-

V

-

Y

L

S

E

A

A

D

R

N

Y

I

I

I

L

I

I

A

A

T
|
T

G
|
G

A

S

R

A

S

P

R

L

E

I

L

P

P

P

S
x
W

M

A

K

Q

I

V

D

D

K

Y

K

E

K

R

I

V

G

T

Y
x
S

R

T

E

E

A

A

M

L

T

S

L

F

D

P

K

E

M

V

P

P

K

K

K

R

M

L

V

I

V

V

G
|
G

S

G

G
|
G

A
x
V

I
|
I

G

G

I

L

E
|
E

F

L

A

G

Y

V

F

V

Y

W

A

H

T

R

M

L

G

G

A

A

E

E

V

V

T

I

I

V

V

L

E
|
E

Y
|
Y

L

M

D

D

R

R

I

I

V

L

P

P

V

T

E

M

D

D

A

L

E

E

V

V

S

S

K

R

T

A

L

A

E

E

K

R

I

V

Y

F

K

K

A

Q

G

G

M

L

T

T

I

I

M

R

T

T

S

G

S

V

E

R

V
|
V

T

T

A

A

V

V

D

V

T

P

K

E

G

A

S

K

G

G

C

A

K

R

V

V

T

E

V

L

K

E

T

-

A

-

K

-

G

G

E

G

E

E

T

V

L

L

E

E

C

A

D

D

I

R

V

V

L

L

S

V

A

A

A
x
V

G
|
G

V
x
R

V

R

S

P

N
x
Y

L

T

E

E

N

G

C

L

G

S

L

L

E

E

D

N

V

A

G

G

I

L

L

S

V

T

D

D

-

E

K

R

G

G

K

R

I

I

K

P

V

V

D

D

E

E

Y

H

Y

L

K

R

T

T

N

R

M

V

P

P

G

H

Y

I

Y

Y

A

A

I

I

G

G

D
|
D

V

V

I

V

P

R

G

G

P

P

A
x
M

L
|
L

A
|
A

H
|
H

V

K

A

A

S
|
S

A

E

E

E

G

G

I

I

I

A

C

A

V

V

E

E

K

H

I

M

A

V

G

-

Q

R

N

G

P

F

E

G

P

H

L

V

D

D

Y

Y

G

Q

N

A

I

I

P

P

G

S

C
x
V

T

V

Y
|
Y

C

T

S

H

P

P

E

E

I

I

A

A

S

A

V

V

G

G

M

Y

T

T

E

E

A

E

K

E

A

L

K

K

E

A

A

Q

G

G

Y

I

E

P

L

Y

R

K

V

V

G

G

K

K

F

F

P

P

F

Y

S

S

A

A

S

S

G

G

K

R

A

A

S

R

A

A

A

M

G

G

A

E

K

T

D

E

G

G

F

F

V

I

K

K

L

V

V

L

F

A

D

H

K

A

K

K

Y

T

G

D

E

R

L

I

L

L

G

G

A

V

H

H

M

G

I

I

G

G

F

A

N

R

V

V

T

G

E

D

M

V

I

L

A

A

E

E

I

A

V

A

A

L

I

A

R

L

K

F

L

F

E

K

T

A

T

S

G

A

H

E

E

D

L

L

I

G

K

R

T

A

V

P

H
|
H

P

A

H
|
H

P

P

T

S

M

L

S

S

E
|
E

A

I

V

L

M

K

E

E

A

A

A

L

A

A

Y

W

D

E

E

R

active site: P11 (= P15), L36 (= L39), C40 (= C43), C45 (= C48), S48 (≠ T51), G72 (≠ D76), V73 (≠ A77), V177 (≠ A184), E181 (= E188), S314 (= S323), H432 (= H442), H434 (= H444), E439 (= E449)
binding flavin-adenine dinucleotide: G10 (= G14), P11 (= P15), G12 (= G16), E31 (= E35), K32 (≠ A36), G38 (= G41), T39 (≠ I42), C40 (= C43), R42 (≠ N45), G44 (= G47), C45 (= C48), K49 (= K52), T110 (≠ W114), A111 (≠ G115), T137 (= T144), G138 (= G145), S157 (≠ Y164), I178 (= I185), R262 (≠ V272), Y265 (≠ N275), D302 (= D311), M308 (≠ A317), L309 (= L318), A310 (= A319), H311 (= H320), Y341 (= Y351)
binding nicotinamide-adenine-dinucleotide: W146 (≠ S153), G174 (= G181), G176 (= G183), V177 (≠ A184), I178 (= I185), E197 (= E204), Y198 (= Y205), V231 (= V238), V260 (≠ A270), G261 (= G271), R262 (≠ V272), M308 (≠ A317), L309 (= L318), V339 (≠ C349)

1zmdA Crystal structure of human dihydrolipoamide dehydrogenase complexed to nadh (see paper)
39% identity, 97% coverage: 7:458/465 of query aligns to 6:464/472 of 1zmdA

query
sites
1zmdA

D

D

L

V

I

T

V

V

V
x
I

G
|
G

S

S

G
|
G

P
|
P

G
|
G

G

G

Y

Y

V

V

A

A

I

I

R

K

A

A

S

A

Q

Q

L

L

G

G

L

F

K

K

T

T

A

V

V

C

V

I

E
|
E

A
x
K

A
x
N

E

E

-

T

L
|
L

G

G

G
|
G

I
x
T

C
|
C

L

L

N

N

W

V

G
|
G

C
|
C

I

I

P

P

T
x
S

K
|
K

A

A

L

L

K

N

S

N

A

S

Q

H

V

Y

F

Y

E

-

Y

H

I

M

N

A

H

H

A

G

A

T

D

D

Y

F

-

A

-

S

-

R

G

G

I

I

T

E

V

M

G

S

D

E

A

V

K

R

A

L

D

N

F

L

D

D

G

K

I

M

V

M

K

E

R

Q

S

K

R

S

G

T

V

A

A

V

D

K

G

A

M

L

S

T

K

G

G

G

V

I

T

A

F

H

L

L

M

F

K

K

K

Q

N

N

K

K

I

V

E

V

V

H

I

V

K

N

G

G

W
x
Y

G
|
G

K

K

I

I

Q

T

P

G

G

K

K

N

K

Q

V

V

E

T

V

A

T

T

D

K

S

A

E

D

E

G

K

G

K

T

T

Q

V

V

Y

I

S

D

A

T

D

K

N

N

I

I

I

L

I

I

A

A

T
|
T

G
|
G

A

S

R

E

S

V

R

T

E

P

L

F

P

P

S

G

M

I

K

T

I

I

D

D

K

E

K

D

K

T

I

I

I

V

G

S

Y
x
S

R

T

E

G

A

A

M

L

T

S

L

L

D

K

K

K

M

V

P

P

K

E

K

K

M

M

V

V

V
x
I

G
|
G

S

A

G
|
G

A
x
V

I
|
I

G

G

I

V

E
|
E

F

L

A

G

Y

S

F

V

Y

W

A

Q

T

R

M

L

G

G

A

A

E

D

V

V

T

T

I

A

V

V

E
|
E

Y
x
F

L
|
L

D

G

R

H

I

V

V

G

P

G

V

V

E

G

-

I

D

D

A

M

E

E

V

I

S

S

K

K

T

N

L

F

E

Q

K

R

I

I

Y

L

K

Q

K

K

A

Q

G

G

M

F

T

K

I

F

M

K

T

L

S

N

S

T

E

K

V

V

T

T

A

G

V

A

D

T

T

K

K

K

G

S

S

D

G

G

-

K

C

I

K

D

V

V

T

S

V

I

K

E

T

A

A

A

K

S

G

G

-

G

-

K

E

A

E

E

T

V

L

I

E

T

C

C

D

D

I

V

V

L

L

L

S

V

A

C

A
x
I

G
|
G

V
x
R

V

R

S

P

N
x
F

L

T

E

K

N

N

C

L

G

G

L

L

E

E

D

E

V

L

G

G

I

I

L

E

V

L

D

D

-

P

K

R

G

G

K

R

I

I

K

P

V

V

D

N

E

T

Y

R

Y

F

K

Q

T

T

N

K

M

I

P

P

G

N

Y

I

Y

Y

A

A

I

I

G
|
G

D
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D

V

V

I

V

P

A

G

G

P

P

A
x
M

L
|
L

A
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A

H
|
H

V

K

A

A

S

E

A

D

E

E

G

G

I

I

C

C

V

V

E

E

K

G

I

M

A

A

G

G

Q

-

N

G

P

A

E

V

P

H

L

I

D

D

Y

Y

G

N

N

C

I

V

P

P

G

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C
x
V

T

I

Y
|
Y

C

T

S

H

P

P

E

E

I

V

A

A

S

W

V

V

G

G

M

K

T

S

E

E

A

E

K

Q

A

L

K

K

E

E

A

E

G

G

Y

I

E

E

L

Y

R

K

V

V

G

G

K

K

F

F

P

P

F

F

S

A

A

A

S

N

G

S

K

R

A

A

S

K

A

T

A

N

G

A

A

D

K

T

D

D

G

G

F

M

V

V

K

K

L

I

V

L

F

G

D

Q

K

K

K

S

Y

T

G

D

E

R

L

V

L

L

G

G

A

A

H

H

M

I

I

L

G

G

F

P

N

G

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A

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G

E

E

M

M

I

V

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N

E

E

I

A

V

A

A

L

I

A

R

L

K

E

L

Y

E

G

T

A

T

S

G

C

H

E

E

D

L

I

I

A

K

R

T

V

V

C

H
|
H

P

A

H
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H

P

P

T

T

M

L

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E
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E

A

A

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F

M

R

E

E

A

A

A

N

A

L

A

A

active site: L39 (= L39), C43 (= C43), C48 (= C48), S51 (≠ T51), V186 (≠ A184), E190 (= E188), H448 (= H442), H450 (= H444), E455 (= E449)
binding flavin-adenine dinucleotide: I10 (≠ V11), G11 (= G12), G13 (= G14), P14 (= P15), G15 (= G16), E34 (= E35), K35 (≠ A36), N36 (≠ A37), G41 (= G41), T42 (≠ I42), C43 (= C43), G47 (= G47), C48 (= C48), K52 (= K52), Y116 (≠ W114), G117 (= G115), T146 (= T144), G147 (= G145), S166 (≠ Y164), R278 (≠ V272), F281 (≠ N275), G317 (= G310), D318 (= D311), M324 (≠ A317), L325 (= L318), A326 (= A319), H327 (= H320)
binding 1,4-dihydronicotinamide adenine dinucleotide: I182 (≠ V180), G183 (= G181), G185 (= G183), V186 (≠ A184), I187 (= I185), E190 (= E188), E206 (= E204), F207 (≠ Y205), L208 (= L206), I276 (≠ A270), G277 (= G271), R278 (≠ V272), M324 (≠ A317), L325 (= L318), V355 (≠ C349), Y357 (= Y351)

1zmcA Crystal structure of human dihydrolipoamide dehydrogenase complexed to NAD+ (see paper)
39% identity, 97% coverage: 7:458/465 of query aligns to 6:464/472 of 1zmcA

query
sites
1zmcA

D

D

L

V

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T

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V

V
x
I

G
|
G

S

S

G
|
G

P
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G
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G

G

G

Y

Y

V

V

A

A

I

I

R

K

A

A

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A

Q

Q

L

L

G

G

L

F

K

K

T

T

A

V

V

C

V

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E
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E

A
x
K

A
x
N

E

E

-

T

L
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L

G

G

G
|
G

I
x
T

C
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C

L

L

N

N

W

V

G
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G

C
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C

I

I

P

P

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x
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K
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K

A

A

L

L

K

N

S

N

A

S

Q

H

V

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F

Y

E

-

Y

H

I

M

N

A

H

H

A

G

A

T

D

D

Y

F

-

A

-

S

-

R

G

G

I

I

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E

V

M

G

S

D

E

A

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K

R

A

L

D

N

F

L

D

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G

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I

M

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M

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E

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Q

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K

R

S

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T

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A

A

V

D

K

G

A

M

L

S

T

K

G

G

G

V

I

T

A

F

H

L

L

M

F

K

K

K

Q

N

N

K

K

I

V

E

V

V

H

I

V

K

N

G

G

W
x
Y

G
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G

K

K

I

I

Q

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P

G

G

K

K

N

K

Q

V

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E

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V

A

T

T

D

K

S

A

E

D

E

G

K

G

K

T

T

Q

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V

Y

I

S

D

A

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K

N

N

I

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F

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P

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M

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D

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E

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I

I

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S

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A

A

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L

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L

L

D

K

K

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M

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K

E

K

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V

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G

S

A

G
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G

A
x
V

I
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I

G

G

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V

E
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E

F

L

A

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Y

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F

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Y

W

A

Q

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L

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G

A

A

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D

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A

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V

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E

Y
x
F

L
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L

D

G

R

H

I

V

V

G

P

G

V

V

E

G

-

I

D

D

A

M

E

E

V

I

S

S

K

K

T

N

L

F

E

Q

K

R

I

I

Y

L

K

Q

K

K

A

Q

G

G

M

F

T

K

I

F

M

K

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L

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N

S

T

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x
K

V
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V

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T

A

G

V

A

D

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T

K

K

K

G

S

S

D

G

G

-

K

C

I

K

D

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I

K

E

T

A

A

A

K

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G

G

-

G

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A

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D

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L

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A
x
I

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x
R

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N
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F

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K

N

N

C

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G

L

L

E

E

D

E

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I

I

L

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D

D

-

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x
R

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G

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N

E

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Y

R

Y

F

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Y

A

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I

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D

V

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I

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A

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P

A
x
M

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A
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H
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H

V

K

A

A

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E

A

D

E

E

G

G

I

I

C

C

V

V

E

E

K

G

I

M

A

A

G

G

Q

-

N

G

P

A

E

V

P

H

L

I

D

D

Y

Y

G

N

N

C

I

V

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P

G

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C

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I

Y

Y

C

T

S

H

P

P

E

E

I

V

A

A

S

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V

G

G

M

K

T

S

E

E

A

E

K

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A

L

K

K

E

E

A

E

G

G

Y

I

E

E

L

Y

R

K

V

V

G

G

K

K

F

F

P

P

F

F

S

A

A

A

S

N

G

S

K

R

A

A

S

K

A

T

A

N

G

A

A

D

K

T

D

D

G

G

F

M

V

V

K

K

L

I

V

L

F

G

D

Q

K

K

K

S

Y

T

G

D

E

R

L

V

L

L

G

G

A

A

H

H

M

I

I

L

G

G

F

P

N

G

V

A

T

G

E

E

M

M

I

V

A

N

E

E

I

A

V

A

A

L

I

A

R

L

K

E

L

Y

E

G

T

A

T

S

G

C

H

E

E

D

L

I

I

A

K

R

T

V

V

C

H
|
H

P

A

H
|
H

P

P

T

T

M

L

S

S

E
|
E

A

A

V

F

M

R

E

E

A

A

A

N

A

L

A

A

active site: L39 (= L39), C43 (= C43), C48 (= C48), S51 (≠ T51), V186 (≠ A184), E190 (= E188), H448 (= H442), H450 (= H444), E455 (= E449)
binding flavin-adenine dinucleotide: I10 (≠ V11), G11 (= G12), G13 (= G14), P14 (= P15), G15 (= G16), E34 (= E35), K35 (≠ A36), N36 (≠ A37), G41 (= G41), T42 (≠ I42), C43 (= C43), G47 (= G47), C48 (= C48), K52 (= K52), Y116 (≠ W114), G117 (= G115), T146 (= T144), G147 (= G145), S166 (≠ Y164), I187 (= I185), F281 (≠ N275), G317 (= G310), D318 (= D311), M324 (≠ A317), L325 (= L318), A326 (= A319), H327 (= H320)
binding nicotinamide-adenine-dinucleotide: G183 (= G181), G185 (= G183), V205 (= V203), E206 (= E204), F207 (≠ Y205), L208 (= L206), K240 (≠ E237), V241 (= V238), I276 (≠ A270), G277 (= G271), R278 (≠ V272), R297 (≠ K290), M324 (≠ A317)

P09622 Dihydrolipoyl dehydrogenase, mitochondrial; Dihydrolipoamide dehydrogenase; Glycine cleavage system L protein; EC 1.8.1.4 from Homo sapiens (Human) (see 14 papers)
39% identity, 97% coverage: 7:458/465 of query aligns to 43:501/509 of P09622

query
sites
P09622

D

D

L

V

I

T

V

V

V

I

G

G

S

S

G

G

P

P

G

G

Y

Y

V

V

A

A

I

I

R

K

A

A

S

A

Q

Q

L

L

G

G

L

F

K

K

T

T

A

V

V

C

V

I

E
|
E

A
x
K

A
x
N

E
|
E

-
x
T

L
|
L

G
|
G

I
x
T

C
|
C

L

L

N

N

W

V

G

G

C

C

I

I

P

P

T

S

K
|
K

A

A

L

L

K

N

S

N

A

S

Q

H

V

Y

F

Y

E

-

Y

H

I

M

N

A

H

H

A

G

A
x
K

D

D

Y

F

-

A

-

S

-

R

G

G

I

I

T

E

V

M

G

S

D

E

A

V

K

R

A

L

D

N

F

L

D

D

G

K

I

M

V

M

K

E

R

Q

S

K

R

S

G

T

V

A

A

V

D

K

G

A

M

L

S

T

K

G

G

G

V

I

T

A

F

H

L

L

M

F

K

K

K

Q

N

N

K

K

I

V

E

V

V

H

I

V

K

N

G

G

W

Y

G
|
G

K

K

I

I

Q

T

P

G

G

K

K

N

K

Q

V

V

E

T

V

A

T

T

D

K

S

A

E

D

E

G

K

G

K

T

T

Q

V

V

Y

I

S

D

A

T

D

K

N

N

I

I

I

L

I

I

A

A

T
|
T

G
|
G

A
x
S

R

E

S

V

R

T

E

P

L

F

P

P

S

G

M

I

K

T

I

I

D

D

K

E

K

D

K

T

I

I

I

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Y

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R

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E

G

A

A

M

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T

S

L

L

D

K

K

K

M

V

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P

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E

K

K

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M

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S
x
A

G
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G

A
x
V

I
|
I

G
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G

I
x
V

E
|
E

F

L

A

G

Y

S

F

V

Y

W

A

Q

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R

M

L

G

G

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A

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D

V

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T

I

A

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E
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E

Y

F

L

L

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G

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H

I

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G

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V

E

G

-

I

D

D

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E

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L

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E

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Q

K

K

A

Q

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G

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F

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K

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F

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S

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V

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T

A

G

V

A

D

T

T

K

K

K

G

S

S

D

G

G

-

K

C

I

K

D

V

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V

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A

A

A

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G

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G

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A

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I

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L

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L

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Y

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Y

Y

A

A

I

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G

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D
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V

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x
M

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L

A
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A

H
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H

V

K

A

A

S

E

A

D

E

E

G

G

I

I

C

C

V

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E

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G

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A

A

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G

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x
H

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I

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D

Y

Y

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C

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A

L

K

K

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E

A

E

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V

V

G

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F

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F

F

S

A

A

A

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N

G

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A

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T

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N

G

A

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D

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T

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D

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K

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x
D

E

R

L

V

L

L

G

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A

A

H

H

M

I

I

L

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G

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M

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I

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V

A

A

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L

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E

L
x
Y

E

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G

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D

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I

A

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x
R

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H

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P

T

T

M

L

S
|
S

E
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E

A

A

V

F

M
x
R

E

E

A

A

A

N

A

L

A

A

71:80 (vs. 35:43, 60% identical) binding FAD
K72 (≠ A36) to E: in DLDD; reduced dihydrolipoyl dehydrogenase activity; no effect on interaction with PDHX; dbSNP:rs121964987
K89 (= K52) binding FAD; mutation to E: Abolishes dihydrolipoyl dehydrogenase activity. Does not affect interaction with PDHX.
K104 (≠ A68) to T: in dbSNP:rs1130477
G154 (= G115) binding FAD
TGS 183:185 (≠ TGA 144:146) binding FAD
220:227 (vs. 181:188, 63% identical) binding NAD(+)
E243 (= E204) binding NAD(+)
V278 (= V238) binding NAD(+)
G314 (= G271) binding NAD(+)
D355 (= D311) binding FAD
MLAH 361:364 (≠ ALAH 317:320) binding FAD
E375 (= E331) to K: in DLDD; loss of enzyme activity; abolished interaction with PDHX; dbSNP:rs121964992
H383 (≠ P340) mutation to A: Reduces dihydrolipoyl dehydrogenase activity.; mutation to L: Reduces dihydrolipoyl dehydrogenase activity.
D448 (≠ G405) Important for interaction with PDHX and activity of multienzyme pyruvate dehydrogenase complex; mutation to A: Reduces interaction with PDHX. Inhibits multienzyme pyruvate dehydrogenase complex activity. Does not affect dihydrolipoyl dehydrogenase activity.; mutation to N: Does not affect dihydrolipoyl dehydrogenase activity.
E466 (= E423) mutation to A: Decreases dehydrogenase activity. Loss of proteolytic activity.
Y473 (≠ L430) Important for interaction with PDHX and activity of multienzyme pyruvate dehydrogenase complex; mutation to A: Reduces interaction with PDHX. Inhibits multienzyme pyruvate dehydrogenase complex activity. Does not affect dihydrolipoyl dehydrogenase activity.; mutation to F: Does not affect dihydrolipoyl dehydrogenase activity.; mutation to H: Reduces interaction with PDHX. Inhibits multienzyme pyruvate dehydrogenase complex activity. Does not affect dihydrolipoyl dehydrogenase activity.
D479 (≠ E436) to V: in DLDD; reduced dehydrogenase activity; increased proteolytic activity; dbSNP:rs397514649
R482 (≠ K439) to G: in DLDD; reduced enzyme activity; dbSNP:rs397514650; mutation to A: Does not affect dihydrolipoyl dehydrogenase activity.; mutation to M: Does not affect interaction with PDHX.
H485 (= H442) mutation to A: Loss of dehydrogenase activity. Increases proteolytic activity.
P488 (= P445) to L: in DLDD; no effect on interaction with PDHX; dbSNP:rs121964988
S491 (= S448) mutation to A: Loss of proteolytic activity. Does not affect dehydrogenase activity.
E492 (= E449) mutation to Q: Reduces dihydrolipoyl dehydrogenase activity. Does not affect interaction with PDHX.
R495 (≠ M452) to G: in DLDD; loss of enzyme activity; reduced interaction with PDHX; dbSNP:rs121964989

Sites not aligning to the query:

505 K→M: Reduces dihydrolipoyl dehydrogenase activity. Does not affect interaction with PDHX.

Query Sequence

>WP_008202812.1 NCBI__GCF_000166275.1:WP_008202812.1
MSSTKFDLIVVGSGPGGYVAAIRASQLGLKTAVVEAAELGGICLNWGCIPTKALLKSAQV
FEYINHAADYGITVGDAKADFDGIVKRSRGVADGMSKGVTFLMKKNKIEVIKGWGKIQPG
KKVEVTDSEEKKTVYSADNIIIATGARSRELPSMKIDKKKIIGYREAMTLDKMPKKMVVV
GSGAIGIEFAYFYATMGAEVTIVEYLDRIVPVEDAEVSKTLEKIYKKAGMTIMTSSEVTA
VDTKGSGCKVTVKTAKGEETLECDIVLSAAGVVSNLENCGLEDVGILVDKGKIKVDEYYK
TNMPGYYAIGDVIPGPALAHVASAEGIICVEKIAGQNPEPLDYGNIPGCTYCSPEIASVG
MTEAKAKEAGYELRVGKFPFSASGKASAAGAKDGFVKLVFDKKYGELLGAHMIGFNVTEM
IAEIVAIRKLETTGHELIKTVHPHPTMSEAVMEAAAAAYDEVIHL

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