SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_011950421.1 NCBI__GCF_000016765.1:WP_011950421.1 to proteins with known functional sites using BLASTp with E ≤ 0.001.

Or try Sites on a Tree, PaperBLAST, Conserved Domains, or compare to all protein structures

Found 20 (the maximum) hits to proteins with known functional sites (download)

P14218 Dihydrolipoyl dehydrogenase; Dihydrolipoamide dehydrogenase; E3 component of 2-oxoglutarate dehydrogenase complex; EC 1.8.1.4 from Pseudomonas fluorescens (see 2 papers)
42% identity, 100% coverage: 1:465/465 of query aligns to 1:472/478 of P14218

query
sites
P14218

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M1 (= M1) modified: Initiator methionine, Removed
34:49 (vs. 34:42, 31% identical) binding FAD
C49 (= C42) modified: Disulfide link with 54, Redox-active
C54 (= C47) modified: Disulfide link with 49, Redox-active
K58 (= K51) binding FAD
G122 (= G114) binding FAD
D319 (= D311) binding FAD
A327 (= A319) binding FAD

5u8uD Dihydrolipoamide dehydrogenase (lpdg) from pseudomonas aeruginosa (see paper)
42% identity, 100% coverage: 1:465/465 of query aligns to 3:474/477 of 5u8uD

query
sites
5u8uD

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active site: P16 (= P14), L47 (= L38), C51 (= C42), C56 (= C47), S59 (≠ T50), G85 (≠ K75), V86 (≠ I76), V193 (≠ A183), E197 (= E187), S333 (= S323), F451 (= F442), H453 (= H444), E458 (= E449)
binding flavin-adenine dinucleotide: I12 (≠ L10), G15 (= G13), P16 (= P14), G17 (= G15), E36 (= E34), K37 (≠ R35), G49 (= G40), T50 (≠ V41), C51 (= C42), G55 (= G46), C56 (= C47), K60 (= K51), H123 (≠ E113), G124 (= G114), A152 (= A142), S153 (≠ T143), G154 (= G144), I194 (= I184), R281 (≠ I272), G320 (= G310), D321 (= D311), M327 (≠ W317), L328 (= L318), A329 (= A319), H330 (= H320), H453 (= H444), P454 (= P445)

Sites not aligning to the query:

active site: 476, 477

5u8wA Dihydrolipoamide dehydrogenase (lpdg) from pseudomonas aeruginosa bound to nadh (see paper)
42% identity, 100% coverage: 2:465/465 of query aligns to 1:471/473 of 5u8wA

query
sites
5u8wA

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R

A

D

N

G

G

K

E

L

Q

V

-

S

K

D

E

E

T

Y

F

S

D

H

K

V

L

I

I

V

V

A
|
A

I
x
V

G
|
G

I
x
R

V

R

P

P

N

V

T

T

E

T

T

D

V

L

G

L

L

A

E

A

A

D

L

S

G

G

V

V

K

T

-

L

T

D

E

E

R

R

G

G

H

F

I

I

V

Y

T

V

D

D

G

D

A

H

C

C

R

K

T

T

N

S

V

V

E

P

G

G

I

V

W

F

A

A

I

I

G
|
G

D
|
D

A

V

T

V

A

R

P

G

P

A

W
x
M

L
|
L

A
|
A

H
|
H

K

K

A

A

S
|
S

H

E

E

E

G

G

V

V

I

M

A

V

A

A

E

E

T

R

I

I

A

A

G

G

Q

-

H

H

P

K

H

A

A

Q

M

M

D

N

P

Y

R

D

N

L

I

I

P

P

G

S

C
x
V

T

I

Y
|
Y

C

T

H

H

P

P

Q

E

I

I

A

A

S

W

V

V

G

G

L

K

T

T

E

E

T

Q

N

T

A

L

R

K

E

A

A

E

G

G

H

V

E

E

V

V

R

N

I

V

G

G

T

T

F

F

P

P

F

F

I

A

G

A

N

S

G

G

K

R

A

A

I

M

A

A

L

A

G

N

E

D

P

T

E

T

G

G

F

L

V

V

K

K

T

V

V

I

F

A

D

D

A

A

Q

K

T

T

G

D

E

R

L

V

L

L

G

G

A

V

H

H

M

V

V

I

G

G

P

P

E

S

V

A

T

A

E

E

M

L

I

V

H

Q

G

Q

F

G

T

A

I

I

G

G

R

M

T

E

L

F

E

G

T

T

T

S

E

A

A

E

E

D

L

L

M

G

E

M

T

M

V

V

F
|
F

P

S

H
|
H

P
|
P

T

T

I

L

S

S

E
|
E

T

A

M

L

H

H

E

E

S

A

V

A

L

L

A

A

A

V

F

N

G

G

R

H

A

A

V

I

H

H

I

I

active site: P13 (= P14), L44 (= L38), C48 (= C42), C53 (= C47), S56 (≠ T50), G82 (≠ K75), V83 (≠ I76), V190 (≠ A183), E194 (= E187), S330 (= S323), F448 (= F442), H450 (= H444), E455 (= E449)
binding flavin-adenine dinucleotide: I9 (≠ L10), G12 (= G13), P13 (= P14), G14 (= G15), E33 (= E34), K34 (≠ R35), G46 (= G40), T47 (≠ V41), C48 (= C42), G52 (= G46), C53 (= C47), K57 (= K51), H120 (≠ E113), G121 (= G114), A149 (= A142), S150 (≠ T143), G151 (= G144), S170 (≠ Y163), G317 (= G310), D318 (= D311), M324 (≠ W317), L325 (= L318), A326 (= A319), H327 (= H320), Y357 (= Y351), H450 (= H444), P451 (= P445)
binding 1,4-dihydronicotinamide adenine dinucleotide: I186 (= I179), G189 (= G182), V190 (≠ A183), I191 (= I184), E194 (= E187), E210 (= E203), A211 (≠ M204), L212 (= L205), A275 (= A269), V276 (≠ I270), G277 (= G271), R278 (≠ I272), M324 (≠ W317), L325 (= L318), V355 (≠ C349), Y357 (= Y351)

Sites not aligning to the query:

active site: 473

5u8vA Dihydrolipoamide dehydrogenase (lpdg) from pseudomonas aeruginosa bound to NAD+ (see paper)
42% identity, 99% coverage: 5:465/465 of query aligns to 3:470/472 of 5u8vA

query
sites
5u8vA

Y

F

D

D

V

V

I

V

V

V

L
x
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

Q

Q

L

L

K

G

L

L

N

K

T

T

A

A

I

C

V

I

E
|
E

R

K

E

Y

-

I

-

G

-

K

-

E

-

G

-

K

-

V

N

A

L
|
L

G

G

G
|
G

V
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

R

D

S

S

A

S

E

Y

V

K

F

Y

R

H

Y

E

M

A

R

K

H

E

A

A

-

F

K

K

D

V

Y

H

G

G

L

I

V

E

A

A

E

K

K
x
G

I
x
V

T

T

A

I

D

D

L

V

D

P

A

A

V

M

V

V

K

A

R

R

S

K

R

A

G

N

V

I

A

V

R

K

Q

N

L

L

N

T

Q

G

G

G

V

I

S

A

H

T

L

L

M

F

K

K

K

A

N

N

G

G

I

V

A

T

V

S

Y

F

M

E

G

G

E
x
H

G
|
G

K

K

L

L

T

L

G

A

K

N

G

K

R

Q

L

V

S

E

V

V

T

T

A

G

P

L

D

D

G

G

K

K

T

T

S

Q

E

V

L

L

T

E

A

A

K

E

N

N

I

V

I

I

A
|
A

T
x
S

G
|
G

A

S

R

R

A

P

R

V

D

E

L

I

P

P

F

P

P

A

K

P

A

L

D

T

G

D

K

D

R

I

V

I

W

V

T

D

Y
x
S

R

T

H

G

A

A

M

L

N

E

P

F

P

Q

E

A

M

V

P

P

N

K

K

K

L

L

L

G

V

V

I
|
I

G
|
G

S

A

G
|
G

A
x
V

I
|
I

G

G

I

L

E
|
E

F

L

A

G

S

S

F

V

Y

W

N

A

D

R

M

L

G

G

A

A

E

E

V

V

T

T

V

V

V
x
L

E
|
E

M
x
A

L

L

D

D

R

K

I

F

V

L

P

P

V

A

E

A

D

D

A

E

D

Q

V

I

S

A

T

K

F

E

L

A

E

L

K

K

A

V

L

L

V

T

K

K

Q

Q

G

G

M

L

K

N

I

I

L

R

T

L

G

G

A

A

G

R

V
|
V

Q

T

K

A

L

S

D

E

I

V

G

K

A

K

T

K

G

Q

V

V

T

T

V

V

A

T

I

F

K

T

A

D

R

A

D

N

G

G

K

E

L

Q

V

-

S

K

D

E

E

T

Y

F

S

D

H

K

V

L

I

I

V

V

A

A

I
x
V

G
|
G

I
x
R

V

R

P

P

N

V

T

T

E

T

T

D

V

L

G

L

L

A

E

A

A

D

L

S

G

G

V

V

K

T

-

L

T

D

E

E

R

R

G

G

H

F

I

I

V

Y

T

V

D

D

G

D

A

H

C

C

R

K

T

T

N

S

V

V

E

P

G

G

I

V

W

F

A

A

I

I

G
|
G

D
|
D

A

V

T

V

A

R

P

G

P

A

W
x
M

L
|
L

A
|
A

H
|
H

K

K

A

A

S
|
S

H

E

E

E

G

G

V

V

I

M

A

V

A

A

E

E

T

R

I

I

A

A

G

G

Q

-

H

H

P

K

H

A

A

Q

M

M

D

N

P

Y

R

D

N

L

I

I

P

P

G

S

C

V

T

I

Y

Y

C

T

H

H

P

P

Q

E

I

I

A

A

S

W

V

V

G

G

L

K

T

T

E

E

T

Q

N

T

A

L

R

K

E

A

A

E

G

G

H

V

E

E

V

V

R

N

I

V

G

G

T

T

F

F

P

P

F

F

I

A

G

A

N

S

G

G

K

R

A

A

I

M

A

A

L

A

G

N

E

D

P

T

E

T

G

G

F

L

V

V

K

K

T

V

V

I

F

A

D

D

A

A

Q

K

T

T

G

D

E

R

L

V

L

L

G

G

A

V

H

H

M

V

V

I

G

G

P

P

E

S

V

A

T

A

E

E

M

L

I

V

H

Q

G

Q

F

G

T

A

I

I

G

G

R

M

T

E

L

F

E

G

T

T

T

S

E

A

A

E

E

D

L

L

M

G

E

M

T

M

V

V

F
|
F

P

S

H
|
H

P
|
P

T

T

I

L

S

S

E
|
E

T

A

M

L

H

H

E

E

S

A

V

A

L

L

A

A

A

V

F

N

G

G

R

H

A

A

V

I

H

H

I

I

active site: P12 (= P14), L43 (= L38), C47 (= C42), C52 (= C47), S55 (≠ T50), G81 (≠ K75), V82 (≠ I76), V189 (≠ A183), E193 (= E187), S329 (= S323), F447 (= F442), H449 (= H444), E454 (= E449)
binding flavin-adenine dinucleotide: I8 (≠ L10), G11 (= G13), P12 (= P14), G13 (= G15), E32 (= E34), G45 (= G40), T46 (≠ V41), C47 (= C42), G51 (= G46), C52 (= C47), K56 (= K51), H119 (≠ E113), G120 (= G114), A148 (= A142), S149 (≠ T143), G150 (= G144), S169 (≠ Y163), I190 (= I184), R277 (≠ I272), G316 (= G310), D317 (= D311), M323 (≠ W317), L324 (= L318), A325 (= A319), H326 (= H320), H449 (= H444), P450 (= P445)
binding nicotinamide-adenine-dinucleotide: I185 (= I179), G186 (= G180), G188 (= G182), V189 (≠ A183), I190 (= I184), L208 (≠ V202), E209 (= E203), A210 (≠ M204), V243 (= V237), V275 (≠ I270), G276 (= G271)

Sites not aligning to the query:

active site: 472

6uziC Crystal structure of dihydrolipoyl dehydrogenase from elizabethkingia anophelis nuhp1
41% identity, 100% coverage: 3:465/465 of query aligns to 5:470/470 of 6uziC

query
sites
6uziC

D

N

S

Q

Y

F

D

D

V

V

I

A

V

V

L
x
I

G
|
G

S

S

G
|
G

P
|
P

G
|
G

G

G

Y

Y

V

V

A

A

I

I

R

R

A

C

A

A

Q

Q

L

L

K

G

L

F

N

K

T

T

A

V

I

I

V

I

E
|
E

R
x
K

-

Y

E

S

N

T

L

L

G

G

G
|
G

V
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

R

D

S

S

A

S

E

E

V

H

F

F

R

E

Y

N

M

A

R

K

H

H

A

T

-

F

K

A

D

T

Y

H

G

G

L

I

V

L

A

I

E

D

K

E

I

P

T

K

A

V

D

D

L

I

D

A

A

Q

V

M

V

I

K

S

R

R

S

K

R

N

G

D

V

V

A

V

R

D

Q

Q

L

T

N

T

Q

K

G

G

V

I

S

N

H

F

L

L

M

M

K

D

K

K

N

N

G

K

I

I

A

T

V

V

Y

L

M

Q

G

G

E
x
V

G
|
G

K

S

L

F

T

E

G

S

K

A

G

T

R

Q

L

I

S

K

V

V

T

T

A

K

P

A

D

D

G

G

K

S

T

S

S

E

E

V

L

I

T

E

A

A

K

K

N

N

I

T

I

I

A

A

T
|
T

G
|
G

A

S

R

K

A

P

R

S

D

S

L

L

P

P

F

F

P

I

K

T

A

L

D

D

G

K

K

E

R

R

V

V

W

I

T

T

Y

S

R

T

H

E

A

A

M

L

N

N

P

L

P

K

E

E

M

V

P

P

N

K

K

H

L

L

L

I

V

V

I

I

G

G

S

G

G

G

A
x
V

I
|
I

G

G

I

L

E
|
E

F

L

A

G

S

S

F

V

Y

Y

N

L

D

R

M

L

G

G

A

S

E

D

V

V

T

T

V

V

E

E

M

Y

L

L

D

D

R

K

I

I

V

I

P

P

V

G

E

M

D

D

A

G

D

T

V

L

S

S

T

K

F

E

L

L

E

Q

K

K

A

T

L

L

V

K

K

K

Q

Q

G

G

M

M

K

K

I

F

L

M

T

L

G

S

A

T

G

A

V

V

Q

S

K

G

L

V

D

E

I

R

G

N

A

G

T

D

G

T

V

V

T

K

V

V

A

T

I

A

K

K

A

D

R

K

D

K

G

G

K

E

L

D

V

V

S

V

D

V

E

E

Y

G

S

D

H

Y

V

C

I

L

V

V

A

S

I

V

G

G

I
x
R

V

R

P

P

N

Y

T

T

E

D

T

G

V

L

G

G

L

L

E

E

A

K

L

A

G

G

V

V

K

E

-

L

T

D

E

E

R

R

G

G

H

R

I

V

V

K

T

T

D

N

G

D

A

H

C

L

R

Q

T

T

N

N

V

V

E

P

G

N

I

I

W

Y

A

A

I

I

G

G

D
|
D

A

V

T

V

A

K

P

G

P

A

W
x
M

L
|
L

A
|
A

H

H

K

K

A

A

S

E

H

E

E

E

G

G

V

V

I

F

A

V

A

A

E

E

T

T

I

L

A

A

G

G

Q

E

H

K

P

P

H

H

A

-

M

V

D

N

P

Y

R

N

N

L

I

I

P

P

G

G

C

V

T

V

Y

Y

C

T

H

W

P

P

Q

E

I

V

A

A

S

G

V

V

G

G

L

K

T

T

E

E

T

E

N

Q

A

L

R

K

E

E

A

A

G

G

H

V

E

A

V

Y

R

K

I

T

G

G

T

S

F

F

P

P

F

M

I

R

G

A

N

L

G

G

K

R

A

S

I

R

A

A

L

S

G

M

E

D

P

T

E

D

G

G

F

V

V

I

K

K

T

I

V

L

F

A

D

D

A

E

Q

K

T

T

G

D

E

E

L

I

L

L

G

G

A

V

H

H

M

M

V

I

G

G

P

A

E

R

V

A

T

A

E

D

M

M

I

I

H

A

G

E

F

A

T

V

I

V

G

A

R

M

T

E

L

F

E

R

T

A

T

S

E

A

A

E

E

D

L

I

M

A

E

R

T

I

V

S

F

H

P

A

H
|
H

P

P

T

T

I

Y

S

T

E
|
E

T

A

M

I

H

K

E

E

S

A

V

A

L

L

A

D

A

A

F

T

G

G

-

K

R

R

A

A

V

I

H

H

I

M

active site: C45 (= C42), C50 (= C47), S53 (≠ T50), V187 (≠ A183), E191 (= E187), H448 (= H444), E453 (= E449)
binding flavin-adenine dinucleotide: I12 (≠ L10), G13 (= G11), G15 (= G13), P16 (= P14), G17 (= G15), E36 (= E34), K37 (≠ R35), G43 (= G40), T44 (≠ V41), C45 (= C42), G49 (= G46), C50 (= C47), S53 (≠ T50), K54 (= K51), V117 (≠ E113), G118 (= G114), T147 (= T143), G148 (= G144), I188 (= I184), R276 (≠ I272), D316 (= D311), M322 (≠ W317), L323 (= L318), A324 (= A319)
binding zinc ion: H448 (= H444), E453 (= E449)

P18925 Dihydrolipoyl dehydrogenase; Dihydrolipoamide dehydrogenase; E3 component of pyruvate complex; EC 1.8.1.4 from Azotobacter vinelandii (see 2 papers)
40% identity, 100% coverage: 1:465/465 of query aligns to 1:472/477 of P18925

query
sites
P18925

M

M

A

S

D

Q

S

K

Y

F

D

D

V

V

I

I

V

V

L

I

G

G

S

A

G

G

P

P

G

G

Y

Y

V

V

A

A

I

I

R

K

A

S

A

A

Q

Q

L

L

K

G

L

L

N

K

T

T

A

A

I

L

V

I

E
|
E

R
x
K

E
x
Y

N
x
K

-
x
G

-
x
K

-
x
E

-
x
G

-
x
K

-
x
T

-
x
A

L
|
L

G
|
G

V
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

R

D

S

S

A

S

E

Y

V

K

F

F

R

H

Y

E

M

A

R

H

H

E

A

S

-

F

K

K

D

L

Y

H

G

G

L

I

V

S

A

T

E

G

K

E

I

V

T

A

A

I

D

D

L

V

D

P

A

T

V

M

V

I

K

A

R

R

S

K

R

D

G

Q

V

I

A

V

R

R

Q

N

L

L

N

T

Q

G

G

G

V

V

S

A

H

S

L

L

M

I

K

K

K

A

N

N

G

G

I

V

A

T

V

L

Y

F

M

E

G

G

E

H

G

G

K

K

L

L

T

L

G

A

K

G

G

K

R

K

L

V

S

E

V

V

T

T

A

A

P

A

D

D

G

G

K

S

T

S

S

Q

E

V

L

L

T

D

A

T

K

E

N

N

I

V

I

I

I

L

A

A

T

S

G

G

A

S

R

K

A

P

R

V

D

E

L

I

P

P

F

P

P

A

K

P

A

V

D

D

G

Q

K

D

R

V

V

I

W

V

T

D

Y

S

R

T

H

G

A

A

M

L

N

D

P

F

P

Q

E

N

M

V

P

P

N

G

K

K

L

L

L

G

V

V

I

I

G

G

S

A

G

G

A

V

I

I

G

G

I

L

E

E

F

L

A

G

S

S

F

V

Y

W

N

A

D

R

M

L

G

G

A

A

E

E

V

V

T

T

V

V

V

L

E

E

M

A

L

M

D

D

R

K

I

F

V

L

P

P

V

A

E

V

D

D

A

E

D

Q

V

V

S

A

T

K

F

E

L

A

E

Q

K

K

A

I

L

L

V

T

K

K

Q

Q

G

G

M

L

K

K

I

I

L

L

T

L

G

G

A

A

G

R

V

V

Q

T

K

G

L

T

D

E

I

V

G

K

A

N

T

K

G

Q

V

V

T

T

V

V

A

K

I

F

K

V

A

D

R

A

D

E

G

G

K

E

L

K

V

-

S

S

D

Q

E

A

Y

F

S

D

H

K

V

L

I

I

V

V

A

A

I

V

G

G

I

R

V

R

P

P

N

V

T

T

E

T

T

D

V

L

G

L

L

A

E

A

A

D

L

S

G

G

V

V

K

T

-

L

T

D

E

E

R

R

G

G

H

F

I

I

V

Y

T

V

D

D

G

D

A

Y

C

C

R

A

T

T

N

S

V

V

E

P

G

G

I

V

W

Y

A

A

I

I

G

G

D
|
D

A

V

T

V

A

R

P

G

P

A

W

M

L

L

A
|
A

H

H

K

K

A

A

S

S

H

E

E

E

G

G

V

V

I

V

A

V

A

A

E

E

T

R

I

I

A

A

G

G

Q

-

H

H

P

K

H

A

A

Q

M

M

D

N

P

Y

R

D

N

L

I

I

P

P

G

A

C

V

T

I

Y

Y

C

T

H

H

P

P

Q

E

I

I

A

A

S

G

V

V

G

G

L

K

T

T

E

E

T

Q

N

A

A

L

R

K

E

A

A

E

G

G

H

V

E

A

V

I

R

N

I

V

G

G

T

V

F

F

P

P

F

F

I

A

G

A

N

S

G

G

K

R

A

A

I

M

A

A

L

A

G

N

E

D

P

T

E

A

G

G

F

F

V

V

K

K

T

V

V

I

F

A

D

D

A

A

Q

K

T

T

G

D

E

R

L

V

L

L

G

G

A

V

H

H

M

V

V

I

G

G

P

P

E

S

V

A

T

A

E

E

M

L

I

V

H

Q

G

Q

F

G

T

A

I

I

G

A

R

M

T

E

L

F

E

G

T

T

T

S

E

A

A

E

E

D

L

L

M

G

E

M

T

M

V

V

F

F

P

A

H

H

P

P

T

A

I

L

S

S

E

E

T

A

M

L

H

H

E

E

S

A

V

A

L

L

A

A

A

V

F

S

G

G

R

H

A

A

V

I

H

H

I

V

34:49 (vs. 34:42, 31% identical) binding FAD
C49 (= C42) modified: Disulfide link with 54, Redox-active
C54 (= C47) modified: Disulfide link with 49, Redox-active
K58 (= K51) binding FAD
D319 (= D311) binding FAD
A327 (= A319) binding FAD

8u0qA Co-crystal structure of optimized analog tdi-13537 provided new insights into the potency determinants of the sulfonamide inhibitor series (see paper)
45% identity, 99% coverage: 5:465/465 of query aligns to 4:464/464 of 8u0qA

query
sites
8u0qA

Y

Y

D

D

V

V

I

V

V

V

L
|
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

Q

Q

L

L

K

G

L

L

N

S

T

T

A

A

I

I

V
|
V

E
|
E

R
x
P

E

K

N
x
Y

L

W

G

G

G
|
G

V
|
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

R

R

S

N

A

A

E

E

V

L

F

V

R

H

-

I

Y

F

M

T

R

K

H

D

A

A

K

K

D

A

Y

F

G

G

L

I

V

S

A

G

E

E

K

-

I

V

T

T

A

F

D

D

L

Y

D

G

A

I

V

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

R

E

Q

G

L
x
R

N

V

Q

A

G
|
G

V

V

S

H

H
x
F

L

L

M

M

K

K

N

N

G

K

I

I

A

T

V

E

Y

I

M

H

G

G

E
x
Y

G
|
G

K

T

L

F

T

A

G

D

K

A

G

N

R

T

L

L

S

L

V

V

T

D

A

L

P

N

D

D

G

G

K

G

T

T

S

E

E

S

L

V

T

T

A

F

K

D

N

N

I

A

I

I

A
|
A

T
|
T

G
|
G

A

S

R

S

A

T

R

R

D

L

L

V

P

P

F

G

P

T

K

S

A

L

D

S

G

A

K

N

R

-

V

V

W

V

T

T

Y
|
Y

R

E

H

E

A

Q

M

I

N

L

P

S

P

R

E

E

M

L

P

P

N

K

K

S

L

I

V

I

I

A

G

G

S

A

G

G

A

A

I
|
I

G

G

I

M

E

E

F

F

A

G

S

Y

F

V

Y

L

N

K

D

N

M

Y

G

G

A

V

E

D

V

V

T

T

V

I

V

V

E

E

M

F

L

L

D

P

R

R

I

A

V

L

P

P

V

N

E

E

D

D

A

A

D

D

V

V

S

S

T

K

F

E

L

I

E

E

K

K

A

Q

L

F

V

K

K

K

Q

L

G

G

M

V

K

T

I

I

L

L

T

T

G

A

A

T

G

K

V

V

Q

E

K

S

L

I

D

A

I

D

G

G

A

G

T

S

G

Q

V

V

T

T

V

V

A

T

I

V

K

-

A

T

R

K

D

D

G

G

K

V

L

A

V

Q

S

E

D

L

E

K

Y

A

S

E

H

K

V

V

I

L

V

Q

A

A

I

I

G

G

I

F

V

A

P

P

N

N

T

V

E

E

T

G

V
x
Y

G

G

L

L

E

D

A

K

L

A

G

G

V

V

K

A

-

L

T

T

E

D

R

R

G

K

H

A

I

I

V

G

T

V

D

D

G

D

A

Y

C

M

R

R

T

T

N

N

V

V

E

G

G

H

I

I

W

Y

A

A

I

I

G
|
G

D
|
D

A

V

T

N

A

G

P

L

W
x
Q

L
|
L

A
|
A

H
|
H

K

V

A

A

S
x
E

H

A

E

Q

G

G

V

V

I

V

A

A

E

E

T

T

I

I

A

A

G

G

Q

A

H

E

P

T

H

L

A

T

M

L

-

G

D

D

P

H

R

R

N

M

I

L

P

P

G

R

C

A

T

T

Y

F

C

C

H

Q

P

P

Q

N

I

V

A

A

S

S

V

F

G

G

L

L

T

T

E

E

T

Q

N

Q

A

A

R

R

E

N

A

E

G

G

H

Y

E

D

V

V

R

V

I

V

G

A

T

K

F

F

P

P

F

F

I

T

G
x
A

N

N

G
x
A

K

K

A

A

I

H

A

G

L

V

G

G

E

D

P

P

E

S

G

G

F

F

V

V

K

K

T

L

V

V

F

A

D

D

A

A

Q

K

T

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

V

V

G

G

P

H

E

D

V

V

T

A

E

E

M

L

I

L

H

P

G

E

F

L

T

T

I

L

G

A

R

Q

T

R

L

W

E

D

T

L

T

T

E

A

A

S

E

E

L

L

M

A

E

R

T

N

V

V

F

H

P

T

H
|
H

P

P

T

T

I

M

S

S

E
|
E

T

A

M

L

H

Q

E

E

S

C

V

F

L

H

A

G

A

L

F

V

G

G

R

H

A

M

V

I

H
x
N

I
x
F

binding flavin-adenine dinucleotide: L9 (= L10), G10 (= G11), G12 (= G13), P13 (= P14), G14 (= G15), V32 (= V33), E33 (= E34), P34 (≠ R35), Y36 (≠ N37), G39 (= G40), V40 (= V41), C41 (= C42), G45 (= G46), C46 (= C47), K50 (= K51), Y112 (≠ E113), G113 (= G114), A141 (= A142), T142 (= T143), G143 (= G144), Y161 (= Y163), I182 (= I184), Y276 (≠ V279), G308 (= G310), D309 (= D311), Q315 (≠ W317), L316 (= L318), A317 (= A319), H318 (= H320)
binding N-(3-acetamidophenyl)-N~2~-[3-(difluoromethyl)-5-methylbenzene-1-sulfonyl]-N~2~-methylglycinamide: Y16 (= Y17), R93 (≠ L94), G96 (= G97), F99 (≠ H100), E321 (≠ S323), A381 (≠ G382), A383 (≠ G384), H443 (= H444), E448 (= E449), N463 (≠ H464), F464 (≠ I465)

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
45% identity, 99% coverage: 5:465/465 of query aligns to 4:464/464 of 8ct4A

query
sites
8ct4A

Y

Y

D

D

V

V

I

V

V

V

L
|
L

G
|
G

S

A

G
|
G

P
|
P

G

G

Y
|
Y

V

V

A

A

I

I

R

R

A

A

Q

Q

L

L

K

G

L

L

N

S

T

T

A

A

I

I

V

V

E
|
E

R
x
P

E

K

N
x
Y

L

W

G

G

G
|
G

V
|
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

R

R

S

N

A

A

E

E

V

L

F

V

R

H

-

I

Y

F

M

T

R

K

H

D

A

A

K

K

D

A

Y

F

G

G

L

I

V

S

A

G

E

E

K

-

I

V

T

T

A

F

D

D

L

Y

D

G

A

I

V

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

R

E

Q

G

L
x
R

N

V

Q

A

G

G

V

V

S

H

H
x
F

L

L

M

M

K

K

N

N

G

K

I

I

A

T

V

E

Y

I

M

H

G

G

E
x
Y

G
|
G

K

T

L

F

T

A

G

D

K

A

G

N

R

T

L

L

S

L

V

V

T

D

A

L

P

N

D

D

G

G

K

G

T

T

S

E

E

S

L

V

T

T

A

F

K

D

N

N

I

A

I

I

A

A

T
|
T

G
|
G

A

S

R

S

A

T

R

R

D

L

L

V

P

P

F

G

P

T

K

S

A

L

D

S

G

A

K

N

R

-

V

V

W

V

T

T

Y
|
Y

R

E

H

E

A

Q

M

I

N

L

P

S

P

R

E

E

M

L

P

P

N

K

K

S

L

I

V

I

I

A

G

G

S

A

G

G

A

A

I
|
I

G

G

I

M

E

E

F

F

A

G

S

Y

F

V

Y

L

N

K

D

N

M

Y

G

G

A

V

E

D

V

V

T

T

V

I

V

V

E

E

M

F

L

L

D

P

R

R

I

A

V

L

P

P

V

N

E

E

D

D

A

A

D

D

V

V

S

S

T

K

F

E

L

I

E

E

K

K

A

Q

L

F

V

K

K

K

Q

L

G

G

M

V

K

T

I

I

L

L

T

T

G

A

A

T

G

K

V

V

Q

E

K

S

L

I

D

A

I

D

G

G

A

G

T

S

G

Q

V

V

T

T

V

V

A

T

I

V

K

-

A

T

R

K

D

D

G

G

K

V

L

A

V

Q

S

E

D

L

E

K

Y

A

S

E

H

K

V

V

I

L

V

Q

A

A

I

I

G

G

I

F

V

A

P

P

N

N

T

V

E

E

T

G

V
x
Y

G

G

L

L

E

D

A

K

L

A

G

G

V

V

K

A

-

L

T

T

E

D

R

R

G

K

H

A

I

I

V

G

T

V

D

D

G

D

A

Y

C

M

R

R

T

T

N

N

V

V

E

G

G

H

I

I

W

Y

A

A

I

I

G

G

D
|
D

A

V

T

N

A

G

P

L

W
x
Q

L
|
L

A
|
A

H

H

K

V

A

A

S
x
E

H

A

E

Q

G

G

V

V

I

V

A

A

E

E

T

T

I

I

A

A

G

G

Q

A

H

E

P

T

H

L

A

T

M

L

-

G

D

D

P

H

R

R

N

M

I

L

P

P

G

R

C

A

T

T

Y

F

C

C

H

Q

P

P

Q

N

I

V

A

A

S

S

V

F

G

G

L

L

T

T

E

E

T

Q

N

Q

A

A

R

R

E

N

A

E

G

G

H

Y

E

D

V

V

R

V

I

V

G

A

T

K

F
|
F

P

P

F

F

I

T

G
x
A

N

N

G
x
A

K

K

A

A

I

H

A

G

L

V

G

G

E

D

P

P

E

S

G

G

F

F

V

V

K

K

T

L

V

V

F

A

D

D

A

A

Q

K

T

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

V

V

G

G

P

H

E

D

V

V

T

A

E

E

M

L

I

L

H

P

G

E

F

L

T

T

I

L

G

A

R

Q

T

R

L

W

E

D

T

L

T

T

E

A

A

S

E

E

L

L

M

A

E

R

T

N

V

V

F

H

P

T

H
|
H

P

P

T

T

I

M

S

S

E
|
E

T
x
A

M

L

H

Q

E
|
E

S

C

V

F

L

H

A

G

A

L

F

V

G

G

R

H

A

M

V

I

H
x
N

I

F

binding flavin-adenine dinucleotide: L9 (= L10), G10 (= G11), G12 (= G13), P13 (= P14), E33 (= E34), P34 (≠ R35), Y36 (≠ N37), G39 (= G40), V40 (= V41), C41 (= C42), G45 (= G46), C46 (= C47), K50 (= K51), Y112 (≠ E113), G113 (= G114), T142 (= T143), G143 (= G144), Y161 (= Y163), I182 (= I184), Y276 (≠ V279), D309 (= D311), Q315 (≠ W317), 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 (= Y17), R93 (≠ L94), F99 (≠ H100), E321 (≠ S323), F377 (= F378), A381 (≠ G382), A383 (≠ G384), H443 (= H444), E448 (= E449), A449 (≠ T450), E452 (= E453), N463 (≠ H464)

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)
45% identity, 99% coverage: 5:465/465 of query aligns to 4:464/464 of P9WHH9

query
sites
P9WHH9

Y

Y

D
|
D

V

V

I

V

V

V

L

L

G

G

S

A

G

G

P

P

G

G

Y

Y

V

V

A

A

I

I

R

R

A

A

Q

Q

L

L

K

G

L

L

N

S

T

T

A

A

I

I

V

V

E
|
E

R
x
P

E
x
K

N
x
Y

L
x
W

G
|
G

V
|
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

R

R

S

N

A

A

E

E

V

L

F

V

R

H

-

I

Y

F

M

T

R

K

H

D

A

A

K

K

D

A

Y

F

G

G

L

I

V

S

A

G

E

E

K

-

I

V

T

T

A

F

D

D

L

Y

D

G

A

I

V

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

R

E

Q

G

L
x
R

N

V

Q

A

G

G

V

V

S

H

H

F

L

L

M

M

K

K

K
|
K

N

N

G

K

I

I

A

T

V

E

Y

I

M

H

G

G

E

Y

G

G

K

T

L

F

T

A

G

D

K

A

G

N

R

T

L

L

S

L

V

V

T

D

A

L

P

N

D

D

G

G

K

G

T

T

S

E

E

S

L

V

T

T

A

F

K

D

N

N

I

A

I

I

A

A

T

T

G

G

A

S

R

S

A

T

R

R

D

L

L

V

P

P

F

G

P

T

K

S

A

L

D

S

G

A

K

N

R

-

V

V

W

V

T

T

Y

Y

R

E

H

E

A

Q

M

I

N

L

P

S

P

R

E

E

M

L

P

P

N

K

K

S

L

I

V

I

I

A

G

G

S

A

G

G

A

A

I

I

G

G

I

M

E

E

F

F

A

G

S

Y

F

V

Y

L

N

K

D

N

M

Y

G

G

A

V

E

D

V

V

T

T

V

I

V

V

E

E

M

F

L

L

D

P

R

R

I

A

V

L

P

P

V

N

E

E

D

D

A

A

D

D

V

V

S

S

T

K

F

E

L

I

E

E

K

K

A

Q

L

F

V

K

K

K

Q

L

G

G

M

V

K

T

I

I

L

L

T

T

G

A

A

T

G

K

V

V

Q

E

K

S

L

I

D

A

I

D

G

G

A

G

T

S

G

Q

V

V

T

T

V

V

A

T

I

V

K

-

A

T

R

K

D

D

G

G

K

V

L

A

V

Q

S

E

D

L

E

K

Y

A

S

E

H

K

V

V

I

L

V

Q

A

A

I

I

G

G

I

F

V

A

P

P

N

N

T

V

E

E

T

G

V

Y

G

G

L

L

E

D

A

K

L

A

G

G

V

V

K

A

-

L

T

T

E

D

R

R

G

K

H

A

I

I

V

G

T

V

D

D

G

D

A

Y

C

M

R

R

T

T

N

N

V

V

E

G

G

H

I

I

W

Y

A

A

I

I

G

G

D
|
D

A

V

T

N

A

G

P

L

W

Q

L

L

A
|
A

H

H

K

V

A

A

S

E

H

A

E

Q

G

G

V

V

I

V

A

A

E

E

T

T

I

I

A

A

G

G

Q

A

H

E

P

T

H

L

A

T

M

L

-

G

D

D

P

H

R

R

N

M

I

L

P

P

G

R

C

A

T

T

Y

F

C

C

H

Q

P

P

Q

N

I

V

A

A

S

S

V

F

G

G

L

L

T

T

E

E

T

Q

N

Q

A

A

R

R

E

N

A

E

G

G

H

Y

E

D

V

V

R

V

I

V

G

A

T

K

F

F

P

P

F

F

I

T

G

A

N

N

G

A

K

K

A

A

I
x
H

A

G

L

V

G

G

E

D

P

P

E

S

G

G

F

F

V

V

K

K

T

L

V

V

F

A

D

D

A

A

Q

K

T

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

V

V

G

G

P

H

E

D

V

V

T

A

E

E

M

L

I

L

H

P

G

E

F

L

T

T

I

L

G

A

R

Q

T

R

L

W

E

D

T

L

T

T

E

A

A

S

E

E

L

L

M

A

E

R

T

N

V

V

F

H

P

T

H

H

P

P

T

T

I

M

S

S

E

E

T

A

M

L

H

Q

E

E

S

C

V

F

L

H

A

G

A

L

F

V

G

G

R

H

A

M

V

I

H

N

I
x
F

D5 (= D6) mutation to A: Reduces lipoamide dehydrogenase activity by 95%.
33:41 (vs. 34:42, 56% identical) binding FAD
C41 (= C42) modified: Disulfide link with 46, Redox-active
N43 (= N44) mutation to A: Reduces lipoamide dehydrogenase activity by 89%.
C46 (= C47) modified: Disulfide link with 41, Redox-active
K50 (= K51) binding FAD
R93 (≠ L94) mutation to A: Reduces lipoamide dehydrogenase activity by 94%.; mutation to E: Reduces lipoamide dehydrogenase activity by 96%.
K103 (= K104) mutation to E: Reduces lipoamide dehydrogenase activity by 82%.
D309 (= D311) binding FAD
A317 (= A319) binding FAD
H386 (≠ I387) mutation to K: Reduces lipoamide dehydrogenase activity by 91%.
F464 (≠ I465) mutation to A: Reduces lipoamide dehydrogenase activity by 95%.

7kmyA Structure of mtb lpd bound to 010705 (see paper)
45% identity, 99% coverage: 5:465/465 of query aligns to 5:465/465 of 7kmyA

query
sites
7kmyA

Y

Y

D

D

V

V

I

V

V

V

L
|
L

G
|
G

S

A

G
|
G

P
|
P

G

G

Y
|
Y

V

V

A

A

I

I

R

R

A

A

Q

Q

L

L

K

G

L

L

N

S

T

T

A

A

I

I

V
|
V

E
|
E

R
x
P

E

K

N
x
Y

L
x
W

G

G

G
|
G

V
|
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

R

R

S

N

A

A

E

E

V

L

F

V

R

H

-

I

Y

F

M

T

R

K

H

D

A

A

K

K

D

A

Y

F

G

G

L

I

V

S

A

G

E

E

K

-

I

V

T

T

A

F

D

D

L

Y

D

G

A

I

V

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

R

E

Q

G

L
x
R

N

V

Q

A

G
|
G

V

V

S

H

H
x
F

L

L

M

M

K

K

N

N

G

K

I

I

A

T

V

E

Y

I

M

H

G

G

E
x
Y

G
|
G

K

T

L

F

T

A

G

D

K

A

G

N

R

T

L

L

S

L

V

V

T

D

A

L

P

N

D

D

G

G

K

G

T

T

S

E

E

S

L

V

T

T

A

F

K

D

N

N

I

A

I

I

A
|
A

T
|
T

G
|
G

A

S

R

S

A

T

R

R

D

L

L

V

P

P

F

G

P

T

K

S

A

L

D

S

G

A

K

N

R

-

V

V

W

V

T

T

Y
|
Y

R

E

H

E

A

Q

M

I

N

L

P

S

P

R

E

E

M

L

P

P

N

K

K

S

L

I

V

I

I

A

G

G

S

A

G

G

A
|
A

I
|
I

G

G

I

M

E
|
E

F

F

A

G

S

Y

F

V

Y

L

N

K

D

N

M

Y

G

G

A

V

E

D

V

V

T

T

V

I

V

V

E

E

M

F

L

L

D

P

R

R

I

A

V

L

P

P

V

N

E

E

D

D

A

A

D

D

V

V

S

S

T

K

F

E

L

I

E

E

K

K

A

Q

L

F

V

K

K

K

Q

L

G

G

M

V

K

T

I

I

L

L

T

T

G

A

A

T

G

K

V

V

Q

E

K

S

L

I

D

A

I

D

G

G

A

G

T

S

G

Q

V

V

T

T

V

V

A

T

I

V

K

-

A

T

R

K

D

D

G

G

K

V

L

A

V

Q

S

E

D

L

E

K

Y

A

S

E

H

K

V

V

I

L

V

Q

A

A

I

I

G

G

I

F

V

A

P

P

N

N

T

V

E

E

T

G

V
x
Y

G

G

L

L

E

D

A

K

L

A

G

G

V

V

K

A

-

L

T

T

E

D

R

R

G

K

H

A

I

I

V

G

T

V

D

D

G

D

A

Y

C

M

R

R

T

T

N

N

V

V

E

G

G

H

I

I

W

Y

A

A

I

I

G
|
G

D
|
D

A

V

T

N

A

G

P

L

W
x
Q

L
|
L

A
|
A

H

H

K

V

A

A

S
x
E

H

A

E

Q

G

G

V

V

I

V

A

A

E

E

T

T

I

I

A

A

G

G

Q

A

H

E

P

T

H

L

A

T

M

L

-

G

D

D

P

H

R

R

N

M

I

L

P

P

G

R

C

A

T

T

Y

F

C

C

H

Q

P

P

Q

N

I

V

A

A

S

S

V

F

G

G

L

L

T

T

E

E

T

Q

N

Q

A

A

R

R

E

N

A

E

G

G

H

Y

E

D

V

V

R

V

I

V

G

A

T

K

F

F

P

P

F

F

I

T

G
x
A

N

N

G

A

K

K

A

A

I

H

A

G

L

V

G

G

E

D

P

P

E

S

G

G

F

F

V

V

K

K

T

L

V

V

F

A

D

D

A

A

Q

K

T

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

V

V

G

G

P

H

E

D

V

V

T

A

E

E

M

L

I

L

H

P

G

E

F

L

T

T

I

L

G

A

R

Q

T

R

L

W

E

D

T

L

T

T

E

A

A

S

E

E

L

L

M

A

E

R

T

N

V

V

F
x
H

P

T

H
|
H

P

P

T

T

I

M

S

S

E
|
E

T

A

M

L

H

Q

E

E

S

C

V

F

L

H

A

G

A

L

F

V

G

G

R

H

A

M

V

I

H
x
N

I

F

active site: W38 (≠ L38), C42 (= C42), C47 (= C47), S50 (≠ T50), A182 (= A183), E186 (= E187), H442 (≠ F442), H444 (= H444), E449 (= E449)
binding flavin-adenine dinucleotide: L10 (= L10), G11 (= G11), G13 (= G13), P14 (= P14), V33 (= V33), E34 (= E34), P35 (≠ R35), Y37 (≠ N37), G40 (= G40), V41 (= V41), C42 (= C42), G46 (= G46), C47 (= C47), K51 (= K51), Y113 (≠ E113), G114 (= G114), A142 (= A142), T143 (= T143), G144 (= G144), Y162 (= Y163), I183 (= I184), Y277 (≠ V279), G309 (= G310), D310 (= D311), Q316 (≠ W317), 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 (= Y17), R94 (≠ L94), G97 (= G97), F100 (≠ H100), E322 (≠ S323), A382 (≠ G382), H444 (= H444), E449 (= E449), N464 (≠ H464)

4m52A Structure of mtb lpd bound to sl827 (see paper)
45% identity, 99% coverage: 5:465/465 of query aligns to 5:465/465 of 4m52A

query
sites
4m52A

Y

Y

D

D

V

V

I

V

V

V

L
|
L

G
|
G

S

A

G
|
G

P
|
P

G

G

Y
|
Y

V

V

A

A

I

I

R

R

A

A

Q

Q

L

L

K

G

L

L

N

S

T

T

A

A

I

I

V
|
V

E
|
E

R
x
P

E

K

N
x
Y

L
x
W

G

G

V
|
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

R

R

S

N

A

A

E

E

V

L

F

V

R

H

-

I

Y

F

M

T

R

K

H

D

A

A

K

K

D

A

Y

F

G

G

L

I

V

S

A

G

E

E

K

-

I

V

T

T

A

F

D

D

L

Y

D

G

A

I

V

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

R

E

Q

G

L
x
R

N

V

Q

A

G

G

V

V

S

H

H
x
F

L

L

M

M

K

K

N

N

G

K

I

I

A

T

V

E

Y

I

M

H

G

G

E
x
Y

G
|
G

K

T

L

F

T

A

G

D

K

A

G

N

R

T

L

L

S

L

V

V

T

D

A

L

P

N

D

D

G

G

K

G

T

T

S

E

E

S

L

V

T

T

A

F

K

D

N

N

I

A

I

I

A
|
A

T
|
T

G

G

A

S

R

S

A

T

R

R

D

L

L

V

P

P

F

G

P

T

K

S

A

L

D

S

G

A

K

N

R

-

V

V

W

V

T

T

Y
|
Y

R

E

H

E

A

Q

M

I

N

L

P

S

P

R

E

E

M

L

P

P

N

K

K

S

L

I

V

I

I

A

G

G

S

A

G

G

A
|
A

I
|
I

G

G

I

M

E
|
E

F

F

A

G

S

Y

F

V

Y

L

N

K

D

N

M

Y

G

G

A

V

E

D

V

V

T

T

V

I

V

V

E

E

M

F

L

L

D

P

R

R

I

A

V

L

P

P

V

N

E

E

D

D

A

A

D

D

V

V

S

S

T

K

F

E

L

I

E

E

K

K

A

Q

L

F

V

K

K

K

Q

L

G

G

M

V

K

T

I

I

L

L

T

T

G

A

A

T

G

K

V

V

Q

E

K

S

L

I

D

A

I

D

G

G

A

G

T

S

G

Q

V

V

T

T

V

V

A

T

I

V

K

-

A

T

R

K

D

D

G

G

K

V

L

A

V

Q

S

E

D

L

E

K

Y

A

S

E

H

K

V

V

I

L

V

Q

A

A

I

I

G

G

I
x
F

V

A

P

P

N

N

T

V

E

E

T

G

V
x
Y

G

G

L

L

E

D

A

K

L

A

G

G

V

V

K

A

-

L

T

T

E

D

R

R

G

K

H

A

I

I

V

G

T

V

D

D

G

D

A

Y

C

M

R

R

T

T

N

N

V

V

E

G

G

H

I

I

W

Y

A

A

I

I

G
|
G

D
|
D

A

V

T

N

A

G

P

L

W
x
Q

L
|
L

A
|
A

H

H

K

V

A

A

S
x
E

H

A

E

Q

G

G

V

V

I

V

A

A

E

E

T

T

I

I

A

A

G

G

Q

A

H

E

P

T

H

L

A

T

M

L

-

G

D

D

P

H

R

R

N

M

I

L

P

P

G

R

C

A

T

T

Y

F

C

C

H

Q

P

P

Q

N

I

V

A

A

S

S

V

F

G

G

L

L

T

T

E

E

T

Q

N

Q

A

A

R

R

E

N

A

E

G

G

H

Y

E

D

V

V

R

V

I

V

G

A

T

K

F

F

P

P

F

F

I

T

G
x
A

N

N

G

A

K

K

A

A

I

H

A

G

L

V

G

G

E

D

P

P

E

S

G

G

F

F

V

V

K

K

T

L

V

V

F

A

D

D

A

A

Q

K

T

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

V

V

G

G

P

H

E

D

V

V

T

A

E

E

M

L

I

L

H

P

G

E

F

L

T

T

I

L

G

A

R

Q

T

R

L

W

E

D

T

L

T

T

E

A

A

S

E

E

L

L

M

A

E

R

T

N

V

V

F
x
H

P

T

H
|
H

P

P

T

T

I

M

S

S

E
|
E

T

A

M

L

H

Q

E

E

S

C

V

F

L

H

A

G

A

L

F

V

G

G

R

H

A

M

V

I

H
x
N

I

F

active site: W38 (≠ L38), C42 (= C42), C47 (= C47), S50 (≠ T50), A182 (= A183), E186 (= E187), H442 (≠ F442), H444 (= H444), E449 (= E449)
binding flavin-adenine dinucleotide: L10 (= L10), G11 (= G11), G13 (= G13), P14 (= P14), V33 (= V33), E34 (= E34), P35 (≠ R35), Y37 (≠ N37), V41 (= V41), C42 (= C42), G46 (= G46), C47 (= C47), K51 (= K51), Y113 (≠ E113), G114 (= G114), A142 (= A142), T143 (= T143), Y162 (= Y163), I183 (= I184), F270 (≠ I272), Y277 (≠ V279), G309 (= G310), D310 (= D311), Q316 (≠ W317), L317 (= L318), A318 (= A319)
binding N~2~-[(2-amino-5-bromopyridin-3-yl)sulfonyl]-N-(4-methoxyphenyl)-N~2~-methylglycinamide: P14 (= P14), Y17 (= Y17), R94 (≠ L94), F100 (≠ H100), E322 (≠ S323), A382 (≠ G382), H444 (= H444), N464 (≠ H464)

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)
40% identity, 100% coverage: 2:465/465 of query aligns to 1:471/472 of 3ladA

query
sites
3ladA

A

S

D

Q

S

K

Y

F

D

D

V

V

I

I

V

V

L
x
I

G
|
G

S

A

G
|
G

P
|
P

G

G

Y

Y

V

V

A

A

I

I

R

K

A

S

A

A

Q

Q

L

L

K

G

L

L

N

K

T

T

A

A

I

L

V

I

E
|
E

R
x
K

E

Y

N

K

-

G

-

K

-

E

-

G

-

K

-

T

-

A

L
|
L

G

G

G
|
G

V
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

R

D

S

S

A

S

E

Y

V

K

F

F

R

H

Y

E

M

A

R

H

H

E

A

S

-

F

K

K

D

L

Y

H

G

G

L

I

V

S

A

T

E

G

K

E

I

V

T

A

A

I

D

D

L

V

D

P

A

T

V

M

V

I

K

A

R

R

S

K

R

D

G

Q

V

I

A

V

R

R

Q

N

L

L

N

T

Q

G

G

G

V

V

S

A

H

S

L

L

M

I

K

K

K

A

N

N

G

G

I

V

A

T

V

L

Y

F

M

E

G

G

E
x
H

G
|
G

K

K

L

L

T

L

G

A

K

G

G

K

R

K

L

V

S

E

V

V

T

T

A

A

P

A

D

D

G

G

K

S

T

S

S

Q

E

V

L

L

T

D

A

T

K

E

N

N

I

V

I

I

I

L

A
|
A

T
x
S

G
|
G

A

S

R

K

A

P

R

V

D

E

L

I

P

P

F

P

P

A

K

P

A

V

D

D

G

Q

K

D

R

V

V

I

W

V

T

D

Y

S

R

T

H

G

A

A

M

L

N

D

P

F

P

Q

E

N

M

V

P

P

N

G

K

K

L

L

L

G

V

V

I

I

G

G

S

A

G

G

A
x
V

I
|
I

G

G

I

L

E
|
E

F

L

A

G

S

S

F

V

Y

W

N

A

D

R

M

L

G

G

A

A

E

E

V

V

T

T

V

V

V

L

E

E

M

A

L

M

D

D

R

K

I

F

V

L

P

P

V

A

E

V

D

D

A

E

D

Q

V

V

S

A

T

K

F

E

L

A

E

Q

K

K

A

I

L

L

V

T

K

K

Q

Q

G

G

M

L

K

K

I

I

L

L

T

L

G

G

A

A

G

R

V

V

Q

T

K

G

L

T

D

E

I

V

G

K

A

N

T

K

G

Q

V

V

T

T

V

V

A

K

I

F

K

V

A

D

R

A

D

E

G

G

K

E

L

K

V

-

S

S

D

Q

E

A

Y

F

S

D

H

K

V

L

I

I

V

V

A

A

I

V

G

G

I
x
R

V

R

P

P

N

V

T

T

E

T

T

D

V

L

G

L

L

A

E

A

A

D

L

S

G

G

V

V

K

T

-

L

T

D

E

E

R

R

G

G

H

F

I

I

V

Y

T

V

D

D

G

D

A

Y

C

C

R

A

T

T

N

S

V

V

E

P

G

G

I

V

W

Y

A

A

I

I

G

G

D
|
D

A

V

T

V

A

R

P

G

P

A

W

M

L
|
L

A
|
A

H

H

K

K

A

A

S

S

H

E

E

E

G

G

V

V

I

V

A

V

A

A

E

E

T

R

I

I

A

A

G

G

Q

-

H

H

P

K

H

A

A

Q

M

M

D

N

P

Y

R

D

N

L

I

I

P

P

G

A

C

V

T

I

Y

Y

C

T

H

H

P

P

Q

E

I

I

A

A

S

G

V

V

G

G

L

K

T

T

E

E

T

Q

N

A

A

L

R

K

E

A

A

E

G

G

H

V

E

A

V

I

R

N

I

V

G

G

T

V

F

F

P

P

F

F

I

A

G

A

N

S

G

G

K

R

A

A

I

M

A

A

L

A

G

N

E

D

P

T

E

A

G

G

F

F

V

V

K

K

T

V

V

I

F

A

D

D

A

A

Q

K

T

T

G

D

E

R

L

V

L

L

G

G

A

V

H

H

M

V

V

I

G

G

P

P

E

S

V

A

T

A

E

E

M

L

I

V

H

Q

G

Q

F

G

T

A

I

I

G

A

R

M

T

E

L

F

E

G

T

T

T

S

E

A

A

E

E

D

L

L

M

G

E

M

T

M

V

V

F
|
F

P

A

H
|
H

P

P

T

A

I

L

S

S

E
|
E

T

A

M

L

H

H

E

E

S

A

V

A

L

L

A

A

A

V

F

S

G

G

R

H

A

A

V

I

H

H

I

V

active site: L44 (= L38), C48 (= C42), C53 (= C47), S56 (≠ T50), V190 (≠ A183), E194 (= E187), F448 (= F442), H450 (= H444), E455 (= E449)
binding flavin-adenine dinucleotide: I9 (≠ L10), G10 (= G11), G12 (= G13), P13 (= P14), E33 (= E34), K34 (≠ R35), G46 (= G40), T47 (≠ V41), C48 (= C42), G52 (= G46), C53 (= C47), H120 (≠ E113), G121 (= G114), A149 (= A142), S150 (≠ T143), G151 (= G144), I191 (= I184), R278 (≠ I272), D318 (= D311), L325 (= L318), A326 (= A319)

3ii4A Structure of mycobacterial lipoamide dehydrogenase bound to a triazaspirodimethoxybenzoyl inhibitor (see paper)
45% identity, 99% coverage: 5:465/465 of query aligns to 3:463/463 of 3ii4A

query
sites
3ii4A

Y

Y

D

D

V

V

I

V

V

V

L
|
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

Q

Q

L

L

K

G

L

L

N

S

T

T

A

A

I

I

V
|
V

E
|
E

R
x
P

E

K

N
x
Y

L
x
W

G

G

G
|
G

V
|
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

R

R

S

N

A

A

E

E

V

L

F

V

R

H

-

I

Y

F

M

T

R

K

H

D

A

A

K

K

D

A

Y

F

G

G

L

I

V

S

A

G

E

E

K

-

I

V

T

T

A

F

D

D

L

Y

D

G

A

I

V

A

V

Y

K

D

R

R

S

S

R

R

G

K

V

V

A

A

R

E

Q

G

L

R

N

V

Q

A

G

G

V

V

S

H

H

F

L

L

M

M

K

K

N

N

G

K

I

I

A

T

V

E

Y

I

M

H

G

G

E
x
Y

G
|
G

K

T

L

F

T

A

G

D

K

A

G

N

R

T

L

L

S

L

V

V

T

D

A

L

P

N

D

D

G

G

K

G

T

T

S

E

E

S

L

V

T

T

A

F

K

D

N

N

I

A

I

I

A
|
A

T
|
T

G
|
G

A

S

R

S

A

T

R
|
R

D

L

L

V

P

P

F

G

P

T

K

S

A

L

D

S

G

A

K

N

R

-

V

V

W

V

T

T

Y
|
Y

R

E

H

E

A

Q

M

I

N

L

P

S

P

R

E

E

M

L

P

P

N

K

K

S

L

I

V

I

I

A

G

G

S

A

G

G

A
|
A

I
|
I

G

G

I

M

E
|
E

F

F

A

G

S

Y

F

V

Y

L

N

K

D

N

M

Y

G

G

A

V

E

D

V

V

T

T

V

I

V

V

E

E

M

F

L

L

D

P

R

R

I

A

V

L

P

P

V
x
N

E
|
E

D

D

A

A

D

D

V

V

S

S

T

K

F

E

L

I

E

E

K

K

A

Q

L

F

V

K

K

K

Q

L

G

G

M

V

K

T

I

I

L

L

T

T

G

A

A

T

G

K

V

V

Q

E

K

S

L

I

D

A

I

D

G

G

A

G

T

S

G

Q

V

V

T

T

V

V

A

T

I

V

K

-

A

T

R

K

D

D

G

G

K

V

L

A

V

Q

S

E

D

L

E

K

Y

A

S

E

H

K

V

V

I

L

V

Q

A

A

I

I

G

G

I
x
F

V

A

P

P

N

N

T

V

E

E

T

G

V
x
Y

G

G

L

L

E

D

A

K

L

A

G

G

V

V

K

A

-

L

T

T

E

D

R
|
R

G

K

H

A

I

I

V

G

T

V

D

D

G

D

A

Y

C

M

R

R

T

T

N

N

V

V

E

G

G

H

I

I

W

Y

A

A

I

I

G
|
G

D
|
D

A

V

T

N

A
x
G

P

L

W
x
Q

L
|
L

A
|
A

H

H

K

V

A

A

S

E

H

A

E

Q

G

G

V

V

I

V

A

A

E

E

T

T

I

I

A

A

G

G

Q

A

H

E

P

T

H

L

A

T

M

L

-

G

D

D

P

H

R

R

N

M

I

L

P

P

G
x
R

C
x
A

T

T

Y

F

C

C

H

Q

P

P

Q

N

I

V

A

A

S

S

V

F

G

G

L

L

T

T

E

E

T

Q

N

Q

A

A

R

R

E

N

A

E

G

G

H

Y

E

D

V

V

R

V

I

V

G

A

T

K

F

F

P

P

F

F

I

T

G

A

N

N

G

A

K

K

A

A

I

H

A

G

L

V

G

G

E

D

P

P

E

S

G

G

F

F

V

V

K

K

T

L

V

V

F

A

D

D

A

A

Q

K

T

H

G

G

E

E

L

L

G

G

A

G

H

H

M

L

V

V

G

G

P

H

E

D

V

V

T

A

E

E

M

L

I

L

H

P

G

E

F

L

T

T

I

L

G

A

R

Q

T

R

L

W

E

D

T

L

T

T

E

A

A

S

E

E

L

L

M

A

E

R

T

N

V

V

F
x
H

P

T

H
|
H

P

P

T

T

I

M

S

S

E
|
E

T

A

M

L

H

Q

E

E

S

C

V

F

L

H

A

G

A

L

F

V

G

G

R

H

A

M

V

I

H

N

I

F

active site: W36 (≠ L38), C40 (= C42), C45 (= C47), S48 (≠ T50), A180 (= A183), E184 (= E187), H440 (≠ F442), 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 (= R148), A180 (= A183), I181 (= I184), E184 (= E187), N208 (≠ V211), E209 (= E212), F268 (≠ I272), R287 (= R290), G311 (≠ A314), Q314 (≠ W317), L315 (= L318), R346 (≠ G348), A347 (≠ C349)
binding flavin-adenine dinucleotide: L8 (= L10), G9 (= G11), G11 (= G13), P12 (= P14), G13 (= G15), V31 (= V33), E32 (= E34), P33 (≠ R35), Y35 (≠ N37), G38 (= G40), V39 (= V41), C40 (= C42), G44 (= G46), C45 (= C47), K49 (= K51), Y111 (≠ E113), G112 (= G114), A140 (= A142), T141 (= T143), G142 (= G144), Y160 (= Y163), I181 (= I184), Y275 (≠ V279), G307 (= G310), D308 (= D311), Q314 (≠ W317), 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.
40% identity, 100% coverage: 1:465/465 of query aligns to 1:472/475 of 6awaA

query
sites
6awaA

M

M

A

T

D

Q

S

K

Y

F

D

D

V

V

I

V

V

V

L
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

Q

Q

L

L

K

G

L

L

N

K

T

T

A

A

I

C

V

I

E
|
E

R
x
K

E

Y

N

T

-

D

-

A

-

E

-

G

-

K

-

L

-

A

L
|
L

G

G

V
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

R

D

S

S

A

S

E

W

V

K

F

Y

R

K

Y

E

M

A

R

K

H

E

A

S

K

F

D

N

-

V

Y

H

G

G

L

I

V

S

A

T

E

G

K

E

I

V

T

K

A

M

D

D

L

V

D

A

A

A

V

M

V

V

K

G

R

R

S

K

R

A

G

G

V

I

A

V

R

K

Q

N

L

L

N

T

Q

G

G

G

V

V

S

A

H

T

L

L

M

F

K

K

K

A

N

N

G

G

I

V

A

T

V

S

Y

I

M

Q

G

G

E
x
H

G
|
G

K

K

L

L

T

L

G

A

K

G

G

K

R

K

L

V

S

E

V

V

T

T

A

K

P

A

D

D

G

G

K

T

T

T

S

E

E

V

L

I

T

E

A

A

K

E

N

N

I

V

I

I

I

L

A

A

T
x
S

G
|
G

A

S

R

R

A

P

R

I

D

D

L

I

P

P

F

P

P

A

K

P

A

V

D

D

G

Q

K

N

R

V

V

I

W

V

T

D

Y

S

R

T

H

G

A

A

M

L

N

E

P

F

P

Q

E

A

M

V

P

P

N

K

K

R

L

L

L

G

V

V

I
|
I

G

G

S

A

G

G

A
x
V

I
|
I

G

G

I

L

E
|
E

F

L

A

G

S

S

F

V

Y

W

N

A

D

R

M

L

G

G

A

A

E

E

V

V

T

T

V

V

V

L

E
|
E

M
x
A

L
|
L

D

D

R

T

I

F

V

L

P

M

V

A

E

A

D

D

A

T

D

A

V

V

S

S

T

K

F

E

L

A

E

Q

K

K

A

T

L

L

V

T

K

K

Q

Q

G

G

M

L

K

D

I

I

L

K

T

L

G

G

A

A

G

R

V
|
V

Q

T

K

G

L

S

D

K

I

V

G

N

A

G

T

N

G

E

V

V

T

E

V

V

A

T

I

Y

K

T

A

N

R

A

D

E

G

G

K

E

L

Q

V

-

S

K

D

I

E

T

Y

F

S

D

H

K

V

L

I

I

V

V

A

A

I
x
V

G

G

I
x
R

V

R

P

P

N

V

T

T

E

T

T

D

V

L

G

L

L

A

E

S

A

D

L

S

G

G

V

V

K

T

T

I

-

D

E

E

R

R

G

G

H

Y

I

I

V

F

T

V

D

D

G

D

A

Y

C

C

R

A

T

T

N

S

V

V

E

P

G

G

I

V

W

Y

A

A

I

I

G
|
G

D
|
D

A

V

T

V

A

R

P

G

P

M

W
x
M

L
|
L

A
|
A

H

H

K

K

A

A

S

S

H

E

E

E

G

G

V

I

I

M

A

V

E

E

T

R

I

I

A

K

G

G

Q

-

H

H

P

K

H

A

A

Q

M

M

D

N

P

Y

R

D

N

L

I

I

P

P

G

S

C

V

T

I

Y
|
Y

C

T

H

H

P

P

Q

E

I

I

A

A

S

W

V

V

G

G

L

K

T

T

E

E

T

Q

N

A

A

L

R

K

E

A

A

E

G

G

H

V

E

E

V

V

R

N

I

V

G

G

T

T

F

F

P

P

F

F

I

A

G

A

N

S

G

G

K

R

A

A

I

M

A

A

L

A

G

N

E

D

P

T

E

G

G

G

F

F

V

V

K

K

T

V

V

I

F

A

D

D

A

A

Q

K

T

T

G

D

E

R

L

V

L

L

G

G

A

V

H

H

M

V

V

I

G

G

P

P

E

S

V

A

T

A

E

E

M

L

I

V

H

Q

G

Q

F

G

T

A

I

I

G

A

R

M

T

E

L

F

E

G

T

T

T

S

E

A

A

E

E

D

L

L

M

G

E

M

T

M

V

V

F
|
F

P

S

H
|
H

P

P

T

T

I

L

S

S

E
|
E

T

A

M

L

H

H

E

E

S

A

V

A

L

L

A

A

A

V

F

N

G

G

R

G

A

A

V

I

H

H

I

V

active site: L45 (= L38), C49 (= C42), C54 (= C47), S57 (≠ T50), V191 (≠ A183), E195 (= E187), F449 (= F442), H451 (= H444), E456 (= E449)
binding adenosine monophosphate: I187 (= I179), E211 (= E203), A212 (≠ M204), L213 (= L205), V245 (= V237), V277 (≠ I270)
binding flavin-adenine dinucleotide: I10 (≠ L10), G13 (= G13), P14 (= P14), G15 (= G15), E34 (= E34), K35 (≠ R35), T48 (≠ V41), C49 (= C42), G53 (= G46), C54 (= C47), K58 (= K51), H121 (≠ E113), G122 (= G114), S151 (≠ T143), G152 (= G144), I192 (= I184), R279 (≠ I272), G318 (= G310), D319 (= D311), M325 (≠ W317), L326 (= L318), A327 (= A319), Y358 (= Y351)

Sites not aligning to the query:

active site: 474, 475

6bz0A 1.83 angstrom resolution crystal structure of dihydrolipoyl dehydrogenase from acinetobacter baumannii in complex with fad.
40% identity, 99% coverage: 4:464/465 of query aligns to 1:467/469 of 6bz0A

query
sites
6bz0A

S

Q

Y

F

D

D

V

L

I

V

V

V

L
x
I

G

G

S

G

G
|
G

P
|
P

G
|
G

G

G

Y

Y

V

E

A

A

I

I

R

R

A

A

Q

Q

L

L

K

G

L

F

N

K

T

V

A

A

I

C

V

I

E
|
E

R
x
K

E
x
R

-

I

-

H

-

N

-

G

-

K

-

P

N

S

L

L

G

G

G
|
G

V
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

R

D

S

S

A

S

E

H

V

R

F

Y

R

E

-

D

Y

T

M

V

R

H

H

H

A

L

K

A

D

D

Y

H

G

G

L

I

V

T

A

T

E

G

K

E

I

V

T

N

A

F

D

D

L

L

D

A

A

K

V

L

K

A

R

R

S

K

R

D

G

K

V

I

A

V

R

D

Q

Q

L

L

N

T

Q

G

G

G

V

I

S

D

H

Q

L

L

M

L

K

K

K

G

N

N

G

G

I

I

A

E

V

W

Y

L

M

K

G

G

E
x
T

G
|
G

K

K

L

L

T

L

G

A

K

G

G

K

R

K

L

V

S

E

V

F

T

V

A

P

P

H

D

E

G

G

K

E

T

T

S

Q

E

I

L

L

T

E

A

P

K

K

N

Y

I

V

I

I

I

L

A

A

T
x
S

G
|
G

A

S

R

V

A

P

R

V

D

N

L

I

P

P

F

V

P

A

K

P

A

V

D

D

G

Q

K

D

R

I

V

I

W

V

T

D

Y
x
S

R

T

H

G

A

A

M

L

N

N

P

F

P

P

E

E

M

V

P

P

N

K

K

R

L

L

L

G

V

V

I

I

G

G

S

A

G

G

A
x
V

I
|
I

G

G

I

L

E
|
E

F

L

A

G

S

S

F

V

Y

W

N

R

D

R

M

L

G

G

A

A

E

E

V

V

T

V

V

V

V

F

E

E

M

A

L

M

D

D

R

A

I

F

V

L

P

P

V

M

E

A

D

D

A

K

D

A

V

L

S

S

T

K

F

E

L

Y

E

Q

K

K

A

I

L

L

V

T

K

K

Q

Q

G

G

M

L

K

D

I

I

L

R

T

I

G

G

A

A

G

K

V

V

Q

S

K

G

L

T

D

E

I

V

G

N

A

G

T

R

G

E

V

V

T

T

V

V

A

K

I

Y

K

-

A

T

R

Q

D

A

G

G

K

E

L

D

V

K

S

E

D

Q

E

T

Y

F

S

D

H

K

V

L

I

I

V

V

A

C

I

V

G

G

I
x
R

V

K

P

A

N
x
Y

T

A

E

E

T

G

V

L

G

L

L

A

E

E

A

D

L

S

G

G

V

I

K

K

-

L

T

T

E

E

R

R

G

G

H

L

I

V

V

E

T

V

D

N

G

D

A

H

C

C

R

A

T

T

N

S

V

V

E

E

G

G

I

V

W

Y

A

A

I

I

G

G

D
|
D

A

L

T

V

A

R

P

G

P

P

W
x
M

L
|
L

A
|
A

H

H

K

K

A
|
A

S

M

H

E

E

E

G

G

V

V

I

M

A

A

A

V

E

E

T

R

I

I

A

H

G

G

Q

-

H

H

P

A

H

A

A

Q

M

V

D

N

P

Y

R

D

N

T

I

I

P

I

G

S

C

I

T

I

Y
|
Y

C

T

H

H

P

P

Q

E

I

A

A

A

S

W

V

V

G

G

L

L

T

T

E

E

T

E

N

Q

A

A

R

K

E

E

A

K

G

G

H

H

E

E

V

V

R

K

I

T

G

G

T

Q

F

F

P

G

F

F

I

A

G

V

N

N

G

G

K

R

A

A

I

L

A

A

L

A

G

G

E

E

P

G

E

A

G

G

F

F

V

V

K

K

T

F

V

V

F

A

D

D

A

A

Q

K

T

T

G

D

E

R

L

L

G

G

A

M

H

H

M

V

V

I

G

G

P

P

E

A

V

A

T

S

E

D

M

I

I

V

H

H

G

Q

F

G

T

M

I

I

G

A

R

L

T

E

L

F

E

V

T

S

E

V

A

E

E

D

L

L

M

Q

E

L

T

M

V

T

F

F

P

G

H
|
H

P

P

T

T

I

F

S

S

E
|
E

T

V

M

V

H

H

E

E

S

A

V

A

L

L

A

A

A

V

F

D

G

G

R

R

A

A

V

I

H

H

active site: C45 (= C42), C50 (= C47), S53 (≠ T50), V187 (≠ A183), E191 (= E187), H447 (= H444), E452 (= E449)
binding flavin-adenine dinucleotide: I7 (≠ L10), G10 (= G13), P11 (= P14), G12 (= G15), E31 (= E34), K32 (≠ R35), R33 (≠ E36), G43 (= G40), T44 (≠ V41), C45 (= C42), G49 (= G46), C50 (= C47), K54 (= K51), T117 (≠ E113), G118 (= G114), S147 (≠ T143), G148 (= G144), S167 (≠ Y163), I188 (= I184), R275 (≠ I272), Y278 (≠ N275), D315 (= D311), M321 (≠ W317), L322 (= L318), A323 (= A319), A326 (= A322), Y354 (= Y351)

6aonA 1.72 angstrom resolution crystal structure of 2-oxoglutarate dehydrogenase complex subunit dihydrolipoamide dehydrogenase from bordetella pertussis in complex with fad
38% identity, 99% coverage: 4:465/465 of query aligns to 2:473/473 of 6aonA

query
sites
6aonA

S

Q

Y

F

D

D

V

V

I

V

V

V

L
x
I

G

G

S

A

G
|
G

P
|
P

G
|
G

G

G

Y

Y

V

I

A

A

I

I

R

R

A

A

Q

Q

L

L

K

G

L

M

N

S

T

V

A

A

I

C

V

I

E
x
D

R
x
A

E
x
W

N

Q

L

N

G

G

-

Q

-

G

-

P

-

A

-
x
P

-

G

G
|
G

V
x
T

C
|
C

L

T

N

N

W

V

G
|
G

C
|
C

I

I

P

P

T
x
S

K
|
K

A

A

L

L

R

Q

S

S

A

S

E

E

V

H

F

Y

R

E

Y

Q

M

A

R

N

H

H

-

H

A

F

K

A

D

E

Y

H

G

G

L

I

V

E

A

V

E

K

K

G

I

V

T

S

A

L

D

K

L

L

D

D

A

T

V

L

V

I

K

G

R

R

S

K

R

N

G

T

V

V

A

V

R

K

Q

Q

L

N

N

N

Q

D

G

G

V

I

S

L

H

Y

L

L

M

F

K

K

N

N

G

K

I

V

A

T

V

Y

Y

F

M

H

G

G

E
x
K

G
|
G

K

A

L

F

T

A

G

G

K

Q

-

V

-

D

G

G

R

G

L

W

S

S

V

I

T

K

A

V

P

T

D

G

G

T

K

T

T

D

S

A

E

D

L

L

T

V

A

A

K

K

N

H

I

V

I

I

I

V

A

A

T
|
T

G
|
G

A

S

R

S

A

A

R

R

D

E

L

L

P

P

F

G

P

L

K

P

A

F

D

D

G

E

K

K

R

N

V

I

W

L

T

S

Y
x
N

R

D

H

G

A

A

M

L

N

N

P

I

P

G

E

A

M

V

P

P

N

K

K

K

L

L

L

G

V

V

I

I

G

G

S

A

G

G

A
x
V

I
|
I

G

G

I

L

E
|
E

F

M

A

G

S

S

F

V

Y

W

N

R

D

R

M

L

G

G

A

A

E

E

V

V

T

T

V

I

V

L

E

E

M

A

L

M

D

P

R

E

I

F

V

L

P
x
A

V

A

E
x
A

D

D

A
x
Q

D

Q

V

V

S

A

T

K

F

E

L

A

E

L

K

K

A

S

L

F

V

A

K

K

Q

Q

G

G

M

L

K

D

I

I

L

Q

T

T

G

G

A

V

G

K

V

I

Q

G

K

E

L

I

D

K

I

A

G

A

A

A

T

K

G

S

V

I

T

T

V

V

A

P

I

Y

-

V

-

D

-

A

K

K

A

G

R

A

D

E

G

Q

K

K

L

L

V

V

S

V

D

D

E

K

Y

-

S

-

H

-

V

L

I

I

V

V

A

S

I

I

G

G

I
x
R

V

V

P

P

N
x
Y

T

T

E

G

T

G

V

L

G

N

L

A

E

E

A

A

L

V

G

G

V

L

K

K

-

L

T

D

E

E

R

R

G

G

H

F

I

V

V

A

T

V

D

D

G

E

A

D

C

C

R

K

T

T

N

N

V

L

E

P

G

N

I

V

W

W

A

A

I

V

G
|
G

D
|
D

A

V

T

V

A

R

P

G

P

P

W
x
M

L
|
L

A
|
A

H
|
H

K

K

A

A

S

E

H

E

E

E

G

G

V

V

I

A

A

V

A

A

E

E

T

R

I

I

A

A

G

G

Q

Q

H

H

P

G

H

H

A

-

M

V

D

N

P

F

R

A

N

T

I

V

P

P

G

W

C

V

T

I

Y

Y

C

T

H

S

P

P

Q

E

I

I

A

A

S

W

V

V

G

G

L

K

T

T

E

E

T

Q

N

Q

A

L

R

K

E

A

A

E

G

G

H

R

E

E

V

Y

R

K

I

A

G

G

T

S

F

F

P

P

F

F

I

M

G

A

N

N

G

G

K

R

A

A

I

R

A

A

L

L

G

G

E

D

P

T

E

T

G

G

F

F

V

A

K

K

T

V

V

I

F

A

D

D

A

A

Q

K

T

T

G

D

E

E

L

V

L

L

G

G

A

V

H

H

M

I

V

I

G

G

P

P

E

M

V

A

T

S

E

E

M

L

I

I

H

S

G

E

F

A

T

V

I

T

G

I

R

M

T

E

L

F

E

R

T

G

T

A

E

A

A

E

E

D

L

I

M

A

E

R

T

I

V

C

F
x
H

P

A

H
|
H

P

P

T

T

I

L

S

S

E
|
E

T

A

M

V

H

K

E

E

S

A

V

A

L

L

A

A

A

V

F

D

G

K

R

R

A

T

V

L

H

N

I

F

active site: P43 (vs. gap), C47 (= C42), C52 (= C47), S55 (≠ T50), V191 (≠ A183), E195 (= E187), H450 (≠ F442), H452 (= H444), E457 (= E449)
binding calcium ion: A218 (≠ P210), A220 (≠ E212), Q222 (≠ A214)
binding flavin-adenine dinucleotide: I8 (≠ L10), G11 (= G13), P12 (= P14), G13 (= G15), D32 (≠ E34), A33 (≠ R35), W34 (≠ E36), G45 (= G40), T46 (≠ V41), C47 (= C42), G51 (= G46), C52 (= C47), K56 (= K51), K119 (≠ E113), G120 (= G114), T151 (= T143), G152 (= G144), N171 (≠ Y163), I192 (= I184), R280 (≠ I272), Y283 (≠ N275), G319 (= G310), D320 (= D311), M326 (≠ W317), L327 (= L318), A328 (= A319), H329 (= H320)

P11959 Dihydrolipoyl dehydrogenase; Dihydrolipoamide dehydrogenase; E3 component of pyruvate complex; EC 1.8.1.4 from Geobacillus stearothermophilus (Bacillus stearothermophilus) (see paper)
39% identity, 99% coverage: 6:465/465 of query aligns to 11:467/470 of P11959

query
sites
P11959

D

E

V

T

I

L

V

V

L

V

G

G

S

A

G

G

P

P

G

G

Y

Y

V

V

A

A

I

I

R

R

A

A

Q

Q

L

L

K

G

L

Q

N

K

T

V

A

T

I

I

V

V

E
|
E

R
x
K

E
x
G

N
|
N

L
|
L

G
|
G

V
|
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

R

S

S

A

A

S

E

H

V

R

F

Y

R

E

Y

Q

M

A

R

K

H

H

A

S

K

E

D

E

Y

M

G

G

L

I

V

K

A

A

E

E

K

N

I

V

T

T

A

I

D

D

L

F

D

A

A

K

V

V

V

Q

K

E

R

W

S

K

R

A

G

S

V

V

A

V

R

K

Q

K

L

L

N

T

Q

G

G

G

V

V

S

E

H

G

L

L

M

L

K

K

K

G

N

N

G

K

I

V

A

E

V

I

Y

V

M

K

G

G

E

E

G

A

K

Y

L

F

T

V

G

D

K

A

G

N

R

T

L

V

S

R

V

V

T

V

A

N

P

G

D

D

G

S

K

A

T

Q

S

T

E

-

L

Y

T

T

A

F

K

K

N

N

I

A

I

I

A

A

T

T

G

G

A

S

R

R

A

P

R

I

D

E

L

L

P

P

F

N

P

F

K

K

A

F

D

S

G

-

K

N

R

R

V

I

W

L

T

D

Y

S

R

T

H

G

A

A

M

L

N

N

P

L

P

G

E

E

M

V

P

P

N

K

K

S

L

L

L

V

V

V

I

I

G

G

S

G

G

G

A

Y

I

I

G

G

I

I

E

E

F

L

A

G

S

T

F

A

Y

Y

N

A

D

N

M

F

G

G

A

T

E

K

V

V

T

T

V

I

V

L

E

E

M

G

L

A

D

G

R

E

I

I

V

L

P

S

V

G

E

F

D

E

A

K

D

Q

V

M

S

A

T

A

F

I

L

I

E

K

K

K

A

R

L

L

V

K

K

K

Q

K

G

G

M

V

K

E

I

V

L

V

T

T

G

N

A

A

G

L

V

A

Q

K

K

G

L

A

D

E

I

E

G

R

A

E

T

D

G

G

V

V

T

T

V

V

A

T

I

Y

K

E

A

A

R

-

D

N

G

G

K

E

L

T

V

K

S

T

D

I

E

D

Y

A

S

D

H

Y

V

V

I

L

V

V

A

T

I

V

G

G

I

R

V

R

P

P

N

N

T

T

E

D

T

E

V

L

G

G

L

L

E

E

A

Q

L

I

G

G

V

I

K

K

-

M

T

T

E

N

R

R

G

G

H

L

I

I

V

E

T

V

D

D

G

Q

A

Q

C

C

R

R

T

T

N

S

V

V

E

P

G

N

I

I

W

F

A

A

I

I

G

G

D
|
D

A

I

T

V

A

P

P

G

P

P

W

A

L

L

A
|
A

H

H

K

K

A

A

S

S

H

Y

E

E

G

G

V

K

I

V

A

A

E

E

T

A

I

I

A

A

G

G

Q

-

H

H

P

P

H

S

A

A

M

V

D

D

P

Y

R

V

N

A

I

I

P

P

G

A

C

V

T

V

Y

F

C

S

H

D

P

P

Q

E

I

C

A

A

S

S

V

V

G

G

L

Y

T

F

E

E

T

Q

N

Q

A

A

R

K

E

D

A

E

G

G

H

I

E

D

V

V

R

I

I

A

G

A

T

K

F

F

P

P

F

F

I

A

G

A

N

N

G

G

K

R

A

A

I

L

A

A

L

L

G

N

E

D

P

T

E

D

G

G

F

F

V

L

K

K

T

L

V

V

F

V

D

R

A

K

Q

E

T

D

G

G

E

V

L

I

G

G

A

A

H

Q

M

I

V

I

G

G

P

P

E

N

V

A

T

S

E

D

M

M

I

I

H

A

G

E

F

L

T

G

I

L

G

A

R

I

T

E

L

A

E

G

T

M

T

T

E

A

A

E

E

D

L

I

M

A

E

L

T

T

V

I

F

H

P

A

H

H

P

P

T

T

I

L

S

G

E

E

T

I

M

A

H

M

E

E

S

A

V

A

L

E

A

V

A

A

F

L

G

G

R

T

A

P

V

I

H

H

I

I

39:47 (vs. 34:42, 78% identical) binding FAD
K56 (= K51) binding FAD
D314 (= D311) binding FAD
A322 (= A319) binding FAD

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)
37% identity, 100% coverage: 2:465/465 of query aligns to 35:501/501 of P31023

query
sites
P31023

A

S

D

D

S

E

Y

N

D

D

V

V

I

V

V

I

L

I

G

G

S

G

G

G

P

P

G

G

Y

Y

V

V

A

A

I

I

R

K

A

A

Q

Q

L

L

K

G

L

F

N

K

T

T

A

T

I

C

V

I

E
|
E

R
x
K

E
x
R

N
x
G

-
x
A

L
|
L

G
|
G

V
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

R

H

S

S

A

S

E

H

V

M

F

Y

R

H

Y

E

M

A

R

K

H

H

A

S

-

F

K

A

D

N

Y

H

G

G

L

V

V

K

A

V

E

S

K

N

I

V

T

E

A

I

D

D

L

L

D

A

A

A

V

M

K

G

R

Q

S

K

R

D

G

K

V

A

A

V

R

S

Q

N

L

L

N

T

Q

R

G

G

V

I

S

E

H

G

L

L

M

F

K

K

N

N

G

K

I

V

A

T

V

Y

Y

V

M

K

G

G

E

Y

G
|
G

K

K

L

F

T

V

G

S

K

P

G

S

R

E

L

I

S

S

V

V

T

D

A

T

P

I

D

E

G

G

K

E

T

N

S

T

E

V

L

V

T

K

A

G

K

K

N

H

I

I

A

A

T

T

G

G

A

S

R

D

A

V

R

K

D

S

L

L

P

P

F

G

P

V

K

T

A

I

D

D

G

E

K

K

R

K

V

I

W

V

T

S

Y

S

R

T

H

G

A

A

M

L

N

A

P

L

P

S

E

E

M

I

P

P

N

K

K

K

L

L

L

V

V

V

I

I

G

G

S

A

G

G

A

Y

I

I

G

G

I

L

E

E

F

M

A

G

S

S

F

V

Y

W

N

G

D

R

M

I

G

G

A

S

E

E

V

V

T

T

V

V

E

E

M

F

L

A

D

S

R

E

I

I

V

V

P

P

V

T

E

M

D

D

A

A

D

E

V

I

S

R

T

K

F

Q

L

F

E

Q

K

R

A

S

L

L

V

E

K

K

Q

Q

G

G

M

M

K

K

I

F

L

K

T

L

G

K

A

T

G

K

V

V

Q

V

K

G

L

V

D

D

I

T

G

S

A

G

T

D

G

G

V

V

T

K

V

L

A

T

I

V

K

E

-

P

A

S

R

A

D

G

G

G

K

E

L

Q

V

T

S

I

D

I

E

E

Y

A

S

D

H

V

V

V

I

L

V

V

A

S

I

A

G

G

I

R

V

T

P

P

N

F

T

T

E

S

T

G

V

L

G

N

L

L

E

D

A

K

L

I

G

G

V

V

K

E

T

T

E

D

R

K

-

L

G

G

H

R

I

I

V

L

T

V

D

N

G

E

A

R

C

F

R

S

T

T

N

N

V

V

E

S

G

G

I

V

W

Y

A

A

I

I

G

G

D
|
D

A

V

T

I

A

P

P

G

P

P

W
x
M

L
|
L

A
|
A

H
|
H

K

K

A

A

S

E

H

E

E

D

G

G

V

V

I

A

A

C

A

V

E

E

T

Y

I

L

A

A

G

G

Q

K

H

V

P

G

H

H

A

-

M

V

D

D

P

Y

R

D

N

K

I

V

P

P

G

G

C

V

T

V

Y

Y

C

T

H

N

P

P

Q

E

I

V

A

A

S

S

V

V

G

G

L

K

T

T

E

E

T

E

N

Q

A

V

R

K

E

E

A

T

G

G

H

V

E

E

V

Y

R

R

I

V

G

G

T

K

F

F

P

P

F

F

I

M

G

A

N

N

G

S

K

R

A

A

I

K

A

A

L

I

G

D

E

N

P

A

E

E

G

G

F

L

V

V

K

K

T

I

V

I

F

A

D

E

A

K

Q

E

T

T

G

D

E

K

L

I

L

L

G

G

A

V

H

H

M

I

V

M

G

A

P

P

E

N

V

A

T

G

E

E

M

L

I

I

H

H

G

E

F

A

T

A

I

I

G

A

R

L

T

Q

L

Y

E

D

T

A

T

S

E

S

A

E

E

D

L

I

M

A

E

R

T

V

V

C

F

H

P

A

H

H

P

P

T

T

I

M

S

S

E

E

T

A

M

I

H

K

E

E

S

A

V

A

L

M

A

A

A

T

F

Y

G

D

R

K

A

P

V

I

H

H

I

I

67:76 (vs. 34:42, 50% identical) binding FAD
C76 (= C42) modified: Disulfide link with 81, Redox-active
C81 (= C47) modified: Disulfide link with 76, Redox-active
G149 (= G114) binding FAD
D348 (= D311) binding FAD
MLAH 354:357 (≠ WLAH 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)
37% identity, 100% coverage: 2:465/465 of query aligns to 1:467/467 of 1dxlA

query
sites
1dxlA

A

S

D

D

S

E

Y

N

D

D

V

V

I

V

V

I

L
x
I

G

G

S

G

G

G

P
|
P

G
|
G

G

G

Y

Y

V

V

A

A

I

I

R

K

A

A

Q

Q

L

L

K

G

L

F

N

K

T

T

A

T

I

C

V

I

E
|
E

R
x
K

E
x
R

N

G

-

A

L
|
L

G

G

G
|
G

V
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

R

H

S

S

A

S

E

H

V

M

F

Y

R

H

Y

E

M

A

R

K

H

H

A

S

-

F

K

A

D

N

Y

H

G

G

L

V

V

K

A

V

E

S

K

N

I

V

T

E

A

I

D

D

L

L

D

A

A

A

V

M

K

G

R

Q

S

K

R

D

G

K

V

A

A

V

R

S

Q

N

L

L

N

T

Q

R

G

G

V

I

S

E

H

G

L

L

M

F

K

K

N

N

G

K

I

V

A

T

V

Y

Y

V

M

K

G

G

E
x
Y

G
|
G

K

K

L

F

T

V

G

S

K

P

G

S

R

E

L

I

S

S

V

V

T

D

A

T

P

I

D

E

G

G

K

E

T

N

S

T

E

V

L

V

T

K

A

G

K

K

N

H

I

I

A

A

T
|
T

G
|
G

A

S

R

D

A

V

R

K

D

S

L

L

P

P

F

G

P

V

K

T

A

I

D

D

G

E

K

K

R

K

V

I

W

V

T

S

Y

S

R

T

H

G

A

A

M

L

N

A

P

L

P

S

E

E

M

I

P

P

N

K

K

K

L

L

L

V

V

V

I

I

G

G

S

A

G

G

A
x
Y

I
|
I

G

G

I

L

E
|
E

F

M

A

G

S

S

F

V

Y

W

N

G

D

R

M

I

G

G

A

S

E

E

V

V

T

T

V

V

E

E

M

F

L

A

D

S

R

E

I

I

V

V

P

P

V

T

E

M

D

D

A

A

D

E

V

I

S

R

T

K

F

Q

L

F

E

Q

K

R

A

S

L

L

V

E

K

K

Q

Q

G

G

M

M

K

K

I

F

L

K

T

L

G

K

A

T

G

K

V

V

Q

V

K

G

L

V

D

D

I

T

G

S

A

G

T

D

G

G

V

V

T

K

V

L

A

T

I

V

K

E

-

P

A

S

R

A

D

G

G

G

K

E

L

Q

V

T

S

I

D

I

E

E

Y

A

S

D

H

V

V

V

I

L

V

V

A

S

I

A

G

G

I
x
R

V

T

P

P

N

F

T

T

E

S

T

G

V

L

G

N

L

L

E

D

A

K

L

I

G

G

V

V

K

E

T

T

E

D

R

K

-

L

G

G

H

R

I

I

V

L

T

V

D

N

G

E

A

R

C

F

R

S

T

T

N

N

V

V

E

S

G

G

I

V

W

Y

A

A

I

I

G

G

D
|
D

A

V

T

I

A

P

P

G

P

P

W
x
M

L
|
L

A
|
A

H
|
H

K

K

A

A

S

E

H

E

E

D

G

G

V

V

I

A

A

C

A

V

E

E

T

Y

I

L

A

A

G

G

Q

K

H

V

P

G

H

H

A

-

M

V

D

D

P

Y

R

D

N

K

I

V

P

P

G

G

C

V

T

V

Y

Y

C

T

H

N

P

P

Q

E

I

V

A

A

S

S

V

V

G

G

L

K

T

T

E

E

T

E

N

Q

A

V

R

K

E

E

A

T

G

G

H

V

E

E

V

Y

R

R

I

V

G

G

T

K

F

F

P

P

F

F

I

M

G

A

N

N

G

S

K

R

A

A

I

K

A

A

L

I

G

D

E

N

P

A

E

E

G

G

F

L

V

V

K

K

T

I

V

I

F

A

D

E

A

K

Q

E

T

T

G

D

E

K

L

I

L

L

G

G

A

V

H

H

M

I

V

M

G

A

P

P

E

N

V

A

T

G

E

E

M

L

I

I

H

H

G

E

F

A

T

A

I

I

G

A

R

L

T

Q

L

Y

E

D

T

A

T

S

E

S

A

E

E

D

L

I

M

A

E

R

T

V

V

C

F
x
H

P

A

H
|
H

P

P

T

T

I

M

S

S

E
|
E

T

A

M

I

H

K

E

E

S

A

V

A

L

M

A

A

A

T

F

Y

G

D

R

K

A

P

V

I

H

H

I

I

active site: L38 (= L38), C42 (= C42), C47 (= C47), S50 (≠ T50), Y184 (≠ A183), E188 (= E187), H444 (≠ F442), H446 (= H444), E451 (= E449)
binding flavin-adenine dinucleotide: I9 (≠ L10), P13 (= P14), G14 (= G15), E33 (= E34), K34 (≠ R35), R35 (≠ E36), G40 (= G40), T41 (≠ V41), C42 (= C42), G46 (= G46), C47 (= C47), K51 (= K51), Y114 (≠ E113), G115 (= G114), T144 (= T143), G145 (= G144), Y184 (≠ A183), I185 (= I184), R274 (≠ I272), D314 (= D311), M320 (≠ W317), L321 (= L318), A322 (= A319), H323 (= H320)

1ebdA Dihydrolipoamide dehydrogenase complexed with the binding domain of the dihydrolipoamide acetylase (see paper)
39% identity, 98% coverage: 6:459/465 of query aligns to 5:455/455 of 1ebdA

query
sites
1ebdA

D

E

V

T

I

L

V

V

L

V

G
|
G

S

A

G
|
G

P
|
P

G

G

Y

Y

V

V

A

A

I

I

R

R

A

A

Q

Q

L

L

K

G

L

Q

N

K

T

V

A

T

I

I

V
|
V

E
|
E

R
x
K

E

G

N

N

L
|
L

G

G

G
|
G

V
|
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

L

I

R

S

S

A

A

S

E

H

V

R

F

Y

R

E

Y

Q

M

A

R

K

H

H

A

S

K

E

D

E

Y

M

G

G

L

I

V

K

A

A

E

E

K
x
N

I
x
V

T

T

A

I

D

D

L

F

D

A

A

K

V

V

V

Q

K

E

R

W

S

K

R

A

G

S

V

V

A

V

R

K

Q

K

L

L

N

T

Q

G

G

G

V

V

S

E

H

G

L

L

M

L

K

K

K

G

N

N

G

K

I

V

A

E

V

I

Y

V

M

K

G

G

E
|
E

G
x
A

K

Y

L

F

T

V

G

D

K

A

G

N

R

T

L

V

S

R

V

V

T

V

A

N

P

G

D

D

G

S

K

A

T

Q

S

T

E

-

L

Y

T

T

A

F

K

K

N

N

I

A

I

I

A

A

T
|
T

G
|
G

A

S

R

R

A

P

R

I

D

E

L

L

P

P

F

N

P

F

K

K

A

F

D

S

G

-

K

N

R

R

V

I

W

L

T

D

Y

S

R

T

H

G

A

A

M

L

N

N

P

L

P

G

E

E

M

V

P

P

N

K

K

S

L

L

L

V

V

V

I

I

G

G

S

G

G

G

A
x
Y

I
|
I

G

G

I

I

E
|
E

F

L

A

G

S

T

F

A

Y

Y

N

A

D

N

M

F

G

G

A

T

E

K

V

V

T

T

V

I

V

L

E

E

M

G

L

A

D

G

R

E

I

I

V

L

P

S

V

G

E

F

D

E

A

K

D

Q

V

M

S

A

T

A

F

I

L

I

E

K

K

K

A

R

L

L

V

K

K

K

Q

K

G

G

M

V

K

E

I

V

L

V

T

T

G

N

A

A

G

L

V

A

Q

K

K

G

L

A

D

E

I

E

G

R

A

E

T

D

G

G

V

V

T

T

V

V

A

T

I

Y

K

E

A

A

R

-

D

N

G

G

K

E

L

T

V

K

S

T

D

I

E

D

Y

A

S

D

H

Y

V

V

I

L

V

V

A

T

I

V

G

G

I
x
R

V

R

P

P

N

N

T

T

E

D

T

E

V

L

G

G

L

L

E

E

A

Q

L

I

G

G

V

I

K

K

-

M

T

T

E

N

R

R

G

G

H

L

I

I

V

E

T

V

D

D

G

Q

A

Q

C

C

R

R

T

T

N

S

V

V

E

P

G

N

I

I

W

F

A

A

I

I

G

G

D
|
D

A

I

T

V

A

P

P

G

P

P

W
x
A

L
|
L

A
|
A

H

H

K

K

A

A

S
|
S

H

Y

E

E

G

G

V

K

I

V

A

A

E

E

T

A

I

I

A

A

G

G

Q

-

H

H

P

P

H

S

A

A

M

V

D

D

P

Y

R

V

N

A

I

I

P

P

G

A

C

V

T

V

Y

F

C

S

H

D

P

P

Q

E

I

C

A

A

S

S

V

V

G

G

L

Y

T

F

E

E

T

Q

N

Q

A

A

R

K

E

D

A

E

G

G

H

I

E

D

V

V

R

I

I

A

G

A

T

K

F

F

P

P

F

F

I

A

G

A

N

N

G

G

K

R

A

A

I

L

A

A

L

L

G

N

E

D

P

T

E

D

G

G

F

F

V

L

K

K

T

L

V

V

F

V

D

R

A

K

Q

E

T

D

G

G

E

V

L

I

G

G

A

A

H

Q

M

I

V

I

G

G

P

P

E

N

V

A

T

S

E

D

M

M

I

I

H

A

G

E

F

L

T

G

I

L

G

A

R

I

T

E

L

A

E

G

T

M

T

T

E

A

A

E

E

D

L

I

M

A

E

L

T

T

V

I

F
x
H

P

A

H
|
H

P

P

T

T

I

L

S

G

E
|
E

T

I

M

A

H

M

E

E

S

A

V

A

L

E

A

V

A

A

F

L

active site: P13 (= P14), L37 (= L38), C41 (= C42), C46 (= C47), S49 (≠ T50), N74 (≠ K75), V75 (≠ I76), Y180 (≠ A183), E184 (= E187), S320 (= S323), H438 (≠ F442), H440 (= H444), E445 (= E449)
binding flavin-adenine dinucleotide: G10 (= G11), G12 (= G13), P13 (= P14), V32 (= V33), E33 (= E34), K34 (≠ R35), G39 (= G40), V40 (= V41), C41 (= C42), G45 (= G46), C46 (= C47), K50 (= K51), E112 (= E113), A113 (≠ G114), T141 (= T143), G142 (= G144), Y180 (≠ A183), I181 (= I184), R268 (≠ I272), D308 (= D311), A314 (≠ W317), L315 (= L318), A316 (= A319)

Query Sequence

>WP_011950421.1 NCBI__GCF_000016765.1:WP_011950421.1
MADSYDVIVLGSGPGGYVAAIRAAQLKLNTAIVERENLGGVCLNWGCIPTKALLRSAEVF
RYMRHAKDYGLVAEKITADLDAVVKRSRGVARQLNQGVSHLMKKNGIAVYMGEGKLTGKG
RLSVTAPDGKTSELTAKNIIIATGARARDLPFPKADGKRVWTYRHAMNPPEMPNKLLVIG
SGAIGIEFASFYNDMGAEVTVVEMLDRIVPVEDADVSTFLEKALVKQGMKILTGAGVQKL
DIGATGVTVAIKARDGKLVSDEYSHVIVAIGIVPNTETVGLEALGVKTERGHIVTDGACR
TNVEGIWAIGDATAPPWLAHKASHEGVIAAETIAGQHPHAMDPRNIPGCTYCHPQIASVG
LTETNAREAGHEVRIGTFPFIGNGKAIALGEPEGFVKTVFDAQTGELLGAHMVGPEVTEM
IHGFTIGRTLETTEAELMETVFPHPTISETMHESVLAAFGRAVHI

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