SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012763513.1 NCBI__GCF_000023185.1:WP_012763513.1 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)

4k28A 2.15 angstrom resolution crystal structure of a shikimate dehydrogenase family protein from pseudomonas putida kt2440 in complex with NAD+ (see paper)
36% identity, 90% coverage: 4:252/276 of query aligns to 2:253/266 of 4k28A

query
sites
4k28A

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binding manganese (ii) ion: C153 (≠ F155), C164 (≠ L166), V176 (= V178), F180 (≠ S182)
binding nicotinamide-adenine-dinucleotide: I129 (≠ A131), G130 (= G132), G132 (= G134), G133 (= G135), V134 (= V136), C153 (≠ F155), D154 (= D156), P155 (≠ A157), R159 (≠ T161), S193 (≠ T195), P194 (= P196), V222 (= V221), G245 (= G244), M248 (= M247), A249 (≠ L248)

3tozA 2.2 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with NAD.
27% identity, 98% coverage: 2:272/276 of query aligns to 9:289/291 of 3tozA

query
sites
3tozA

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binding nicotinamide-adenine-dinucleotide: G137 (= G132), A138 (= A133), G139 (= G134), G140 (= G135), A141 (≠ V136), N161 (≠ D156), R162 (≠ A157), D164 (≠ E159), F166 (≠ T161), T210 (= T195), G211 (≠ P196), V212 (≠ L197), M214 (= M199), F217 (vs. gap), V238 (= V221), Y240 (≠ M223), G261 (= G244), M264 (= M247), M265 (≠ L248)

Q8Y9N5 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Listeria monocytogenes serovar 1/2a (strain ATCC BAA-679 / EGD-e)
27% identity, 98% coverage: 2:272/276 of query aligns to 9:289/291 of Q8Y9N5

query
sites
Q8Y9N5

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SLS 26:28 (≠ FKA 19:21) binding shikimate
NRKD 161:164 (≠ DANE 156:159) binding NAD(+)
M214 (= M199) binding NADP(+)

3tnlA 1.45 angstrom crystal structure of shikimate 5-dehydrogenase from listeria monocytogenes in complex with shikimate and NAD.
27% identity, 98% coverage: 2:272/276 of query aligns to 6:286/288 of 3tnlA

query
sites
3tnlA

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binding nicotinamide-adenine-dinucleotide: M71 (= M68), G134 (= G132), A135 (= A133), G136 (= G134), G137 (= G135), A138 (≠ V136), N158 (≠ D156), R159 (≠ A157), D161 (≠ E159), F163 (≠ T161), T207 (= T195), V209 (≠ L197), M211 (= M199), F214 (vs. gap), V235 (= V221), Y237 (≠ M223), M261 (= M247), M262 (≠ L248)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S23 (≠ F19), S25 (≠ A21), N68 (≠ L65), S70 (≠ T67), K74 (= K71), N95 (= N92), D110 (= D108), Q265 (= Q251)

Q5HNV1 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Staphylococcus epidermidis (strain ATCC 35984 / RP62A) (see paper)
27% identity, 96% coverage: 12:275/276 of query aligns to 6:260/269 of Q5HNV1

query
sites
Q5HNV1

L

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L

I

F

I

R

S

L

E

S

K

N

S

I

I

H

D

G

G

A

F

L

N

I

V

T
|
T

M

I

P

P

H

H

K

K

I

E

S

R

T

I

M

I

A

P

L

Y

L

L

D

D

E

D

T

I

S

N

T

E

N

Q

A

A

K

K

V

S

A

V

G

G

S

A

C

V

N
|
N

A

T

V

V

R

-

L

L

G

V

S

K

D

D

G

G

R

K

L

W

I

I

G

G

D

Y

M

N

F

T

D
|
D

G

G

E

I

G

G

F

Y

V

V

R

N

G

G

V

L

L

K

R

Q

K

I

G

Y

K

E

Q

G

V

I

E

E

G

D

A

A

R

Y

A

I

L

L

I

I

A

L

G

G

A

A

G

G

V

A

G

S

S

K

A

G

I

I

A

A

A

N

S

E

L

L

A

Y

Q

K

A

-

G

-

V

-

E

-

H

-

L

-

A

-

I

I

F

V

D

R

A

P

N

T

E

L

A

T

T

V

A

A

T

N

A

R

L

T

L

M

D

S

R

R

L

F

K

N

Y

W

-

S

-

L

-

N

Y

I

P

N

Q

K

L

I

E

N

V

L

T

S

V

H

G

A

S

E

A

S

D

H

P

L

E

D

G

E

F

F

D

D

I

I

V

I

N

N

A

T

T

T

P

P

L

A

G

G

M

M

R

N

R

G

G

N

D

T

P

D

L

S

P

V

I

I

D

S

I

L

D

N

R

R

I

L

S

A

P

S

S

H

T

T

F

L

V

V

G

S

E

D

V

I

V

V

M
x
Y

T

N

K

P

E

Y

I

K

T

T

P

P

F

I

L

L

E

I

A

E

V

A

R

E

A

Q

R

R

G

G

C

N

A

P

F

I

Q

Y

V

N

G

G

T

L

D

D

M

M

L

F

F

V

E

H

Q
|
Q

I

-

P

-

A

-

Y

G

L

A

E

E

F

S

F

F

E

K

F

I

P

W

T

T

T

N

T

L

A

E

D

P

N

D

L

I

R

K

A

A

I

M

A

K

K

N

L

I

SLS 13:15 (≠ FKA 19:21) binding shikimate
T60 (= T67) binding shikimate
N85 (= N92) binding shikimate
D100 (= D108) binding shikimate
Y211 (≠ M223) Plays a major role in the catalytic process and a minor role in the substrate binding; mutation to F: Leads to a 345-fold decrease in the catalytic efficiency and a 3-fold decrease in the affinity binding for shikimate.
Q239 (= Q251) binding shikimate

1npdB X-ray structure of shikimate dehydrogenase complexed with NAD+ from e.Coli (ydib) northeast structural genomics research consortium (nesg) target er24 (see paper)
27% identity, 91% coverage: 2:251/276 of query aligns to 3:262/288 of 1npdB

query
sites
1npdB

I

V

T

T

G

A

T

K

T

Y

K

E

L

L

I

I

A

G

H

L

L

M

G

A

Y

Y

P

P

T

I

E

R

S

H

F

S

K

L

A

S

P

P

L

E

I

M

Y

Q

N

N

P

K

Y

A

F

L

E

E

K

K

N

A

G

G

I

L

D

P

A

F

V

T

V

Y

V

M

P

A

M

F

G

E

C

V

R

D

P

N

A

D

D

S

Y

F

P

P

V

G

F

A

L

I

K

E

L

G

L

L

F

K

R

A

L

L

S

K

N

-

I

M

H

R

G

G

A

T

L

G

I

V

T

S

M

M

P

P

H

N

K

K

I

Q

S

L

T

A

M

C

A

E

L

Y

L

V

D

D

E

E

T

L

S

T

T

P

N

A

A

A

K

K

V

L

A

V

G

G

S

A

C

I

N

N

A

T

V

I

R

-

L

V

G

N

S

D

D

D

G

G

R

Y

L

L

I

R

G

G

D

Y

M

N

F

T

D

D

G

G

E

T

G

G

F

H

V

I

R

R

G

A

V

I

L

K

R

E

K

S

G

G

K

F

Q

D

V

I

E

K

G

G

A

K

R

T

A

M

L

V

I

L

A

L

G

G

A
|
A

G
|
G

V
x
A

G

S

S

T

A

A

I

I

A

G

A

A

S

Q

L

G

A

A

Q

I

A

E

G

G

V

L

E

K

H

E

L

I

A

K

I

L

F

F

D
x
N

A
x
R

N

R

E
x
D

A

E

-
x
F

-

F

-

D

T

K

A

A

T

L

A

A

L

F

L

A

D

Q

R

R

L

V

K

N

K

E

Y

N

Y

T

P

D

Q

C

L

V

E

V

V

T

T

V

V

T

G

D

S

L

A

A

D

D

P

Q

E

Q

G

A

F

F

-

A

-

E

-

A

-

L

-

A

-

S

-

A

D

D

I

I

V

L

V

T

N

N

A

G

T
|
T

P
x
K

L
x
V

G

G

M
|
M

R

K

-

P

-

L

R

E

G

N

D

E

P

S

L

L

P

V

I

N

D

D

I

I

D

S

R

L

I

L

S

H

P

P

S

G

T

L

F

L

V

V

G

T

E

E

V
x
C

V

V

M

Y

T

N

K

P

E

H

I

M

T

T

P

K

F

L

L

L

E

Q

A

Q

V

A

R

Q

A

Q

R

A

G

G

C

C

A

K

F

T

Q

I

V

D

G

G

T

Y

D

G

M
|
M

L
|
L

F

L

E

W

Q

Q

binding nicotinamide-adenine-dinucleotide: A132 (= A133), G133 (= G134), G134 (= G135), A135 (≠ V136), N155 (≠ D156), R156 (≠ A157), D158 (≠ E159), F160 (vs. gap), T204 (= T195), K205 (≠ P196), V206 (≠ L197), M208 (= M199), C232 (≠ V221), M258 (= M247), L259 (= L248)

P0A6D5 Quinate/shikimate dehydrogenase; NAD-dependent shikimate 5-dehydrogenase; EC 1.1.1.282 from Escherichia coli (strain K12) (see 4 papers)
27% identity, 91% coverage: 2:251/276 of query aligns to 3:262/288 of P0A6D5

query
sites
P0A6D5

I

V

T

T

G

A

T

K

T

Y

K

E

L

L

I

I

A

G

H

L

L

M

G

A

Y

Y

P

P

T

I

E

R

S

H

F

S

K

L

A
x
S

P

P

L

E

I

M

Y

Q

N

N

P

K

Y

A

F

L

E

E

K

K

N

A

G

G

I

L

D

P

A

F

V

T

V
x
Y

V

M

P

A

M

F

G

E

C

V

R

D

P

N

A

D

D

S

Y

F

P

P

V

G

F

A

L

I

K

E

L

G

L

L

F

K

R

A

L

L

S

K

N

-

I

M

H

R

G

G

A

T

L

G

I

V

T
x
S

M

M

P

P

H

N

K
|
K

I

Q

S

L

T

A

M

C

A

E

L

Y

L

V

D

D

E

E

T

L

S

T

T

P

N

A

A

A

K

K

V

L

A

V

G

G

S

A

C

I

N
|
N

A

T

V

I

R

-

L

V

G

N

S

D

D

D

G

G

R

Y

L

L

I

R

G

G

D

Y

M

N

F
x
T

D
|
D

G

G

E

T

G

G

F

H

V

I

R

R

G

A

V

I

L

K

R

E

K

S

G

G

K

F

Q

D

V

I

E

K

G

G

A

K

R

T

A

M

L

V

I

L

A

L

G

G

A
|
A

G
|
G

V
x
A

G

S

S

T

A

A

I

I

A

G

A

A

S

Q

L

G

A

A

Q

I

A

E

G

G

V

L

E

K

H

E

L

I

A

K

I

L

F

F

D
x
N

A
x
R

N
x
R

E
x
D

A

E

-

F

-

D

T

K

A

A

T

L

A

A

L

F

L

A

D

Q

R

R

L

V

K

N

K

E

Y

N

Y

T

P

D

Q

C

L

V

E

V

V

T

T

V

V

T

G

D

S

L

A

A

D

D

P

Q

E

Q

G

A

F

F

-

A

-

E

-

A

-

L

-

A

-

S

-

A

D

D

I

I

V

L

V

T

N

N

A

G

T

T

P
x
K

L

V

G

G

M

M

R

K

-

P

-

L

R

E

G

N

D

E

P

S

L

L

P

V

I

N

D

D

I

I

D

S

R

L

I

L

S

H

P

P

S

G

T

L

F

L

V

V

G

T

E

E

V
x
C

V
|
V

M
x
Y

T
x
N

K

P

E

H

I

M

T

T

P

K

F

L

L

L

E

Q

A

Q

V

A

R

Q

A

Q

R

A

G

G

C

C

A

K

F

T

Q

I

V

D

G
|
G

T

Y

D

G

M

M

L

L

F

L

E

W

Q
|
Q

S22 (≠ A21) mutation to A: Kinetically unchanged as compared with the wild-type.
Y39 (≠ V38) mutation to F: Kinetically unchanged as compared with the wild-type.
S67 (≠ T67) mutation to A: Reduces activity towards quinate about 6-fold, but has a little effect on shikimate conversion.
K71 (= K71) mutation to A: 3200-fold decrease in the affinity for quinate. 170-fold decrease in the affinity for shikimate.; mutation to G: 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
N92 (= N92) mutation to A: Alters protein structure. Loss of activity for both substrates.
T106 (≠ F107) mutation to A: 2000-fold decrease in the affinity for quinate. 70-fold decrease in the affinity for shikimate. 10-fold greater reduction in catalytic efficiency is observed with quinate than with shikimate.
D107 (= D108) mutation to A: Loss of activity towards quinate. 20000-fold decrease in the affinity for shikimate.
AGGA 132:135 (≠ AGGV 133:136) binding NAD(+)
NRRD 155:158 (≠ DANE 156:159) binding NAD(+)
K205 (≠ P196) binding NAD(+)
CVYN 232:235 (≠ VVMT 221:224) binding NAD(+)
G255 (= G244) binding NAD(+)
Q262 (= Q251) mutation to A: 3-fold reduction in catalytic efficiency for both substrates.

Sites not aligning to the query:

1 modified: Initiator methionine, Removed

1o9bA Quinate/shikimate dehydrogenase ydib complexed with nadh (see paper)
27% identity, 89% coverage: 7:251/276 of query aligns to 2:256/280 of 1o9bA

query
sites
1o9bA

K

E

L

L

I

I

A

G

H

L

L

M

G

A

Y

Y

P

P

T

I

E

R

S

H

F

S

K

L

A

S

P

P

L

E

I

M

Y

Q

N

N

P

K

Y

A

F

L

E

E

K

K

N

A

G

G

I

L

D

P

A

F

V

T

V

Y

V

M

P

A

M

F

G

E

C

V

R

D

P

N

A

D

D

S

Y

F

P

P

V

G

F

A

L

I

K

E

L

G

L

L

F

K

R

A

L

L

S

K

N

-

I

M

H

R

G

G

A

T

L

G

I

V

T

S

M

M

P

P

H

N

K

K

I

Q

S

L

T

A

M

C

A

E

L

Y

L

V

D

D

E

E

T

L

S

T

T

P

N

A

A

A

K

K

V

L

A

V

G

G

S

A

C

I

N

N

A

T

V

I

R

-

L

V

G

N

S

D

D

D

G

G

R

Y

L

L

I

R

G

G

D

Y

M

N

F

T

D

D

G

G

E

T

G

G

F

H

V

I

R

R

G

A

V

I

L

K

R

E

K

S

G

G

K

F

Q

D

V

I

E

K

G

G

A

K

R

T

A

M

L

V

I

L

A

L

G

G

A
|
A

G
|
G

V
x
A

G

S

S

T

A

A

I

I

A

G

A

A

S

Q

L

G

A

A

Q

I

A

E

G

G

V

L

E

K

H

E

L

I

A

K

I

L

F

F

D

N

A
x
R

N

R

E

D

A

E

-
x
F

-

F

-

D

T

K

A

A

T

L

A

A

L

F

L

A

D

Q

R

R

L

V

K

N

K

E

Y

N

Y

T

P

D

Q

C

L

V

E

V

V

T

T

V

V

T

G

D

S

L

A

A

D

D

P

Q

E

Q

G

A

F

F

-

A

-

E

-

A

-

L

-

A

-

S

-

A

D

D

I

I

V

L

V

T

N

N

A

G

T

T

P
x
K

L
x
V

G

G

M
|
M

R

K

-

P

-

L

R

E

G

N

D

E

P

S

L

L

P

V

I

N

D

D

I

I

D

S

R

L

I

L

S

H

P

P

S

G

T

L

F

L

V

V

G

T

E

E

V
x
C

V

V

M
x
Y

T

N

K

P

E

H

I

M

T

T

P

K

F

L

L

L

E

Q

A

Q

V

A

R

Q

A

Q

R

A

G

G

C

C

A

K

F

T

Q

I

V

D

G

G

T

Y

D

G

M
|
M

L
|
L

F

L

E

W

Q

Q

binding 1,4-dihydronicotinamide adenine dinucleotide: A126 (= A133), G127 (= G134), G128 (= G135), A129 (≠ V136), R150 (≠ A157), F154 (vs. gap), K199 (≠ P196), V200 (≠ L197), M202 (= M199), C226 (≠ V221), Y228 (≠ M223), M252 (= M247), L253 (= L248)

3dooA Crystal structure of shikimate dehydrogenase from staphylococcus epidermidis complexed with shikimate (see paper)
26% identity, 96% coverage: 12:275/276 of query aligns to 6:251/258 of 3dooA

query
sites
3dooA

L

I

G

G

Y

N

P

P

T

I

E

S

S

H

F
x
S

K

L

A
x
S

P

P

L

L

I

M

Y

H

N

H

P

A

Y

N

F

F

E

Q

-

S

-

L

-

N

-

L

K

E

N

N

G

T

I

Y

D

E

A

A

V

I

V

N

V

V

P

P

M

V

G

N

C

Q

R

F

P

Q

A

D

D

-

Y

-

P

-

V

-

F

-

L

I

K

K

L

K

L

I

F

I

R

S

L

E

S

K

N

S

I

I

H

D

G

G

A

F

L
x
N

I

V

T
|
T

M

I

P

P

H

H

K
|
K

I

E

S

R

T

I

M

I

A

P

L

Y

L

L

D

D

E

D

T

I

S

N

T

E

N

Q

A

A

K

K

V

S

A

V

G

G

S

A

C

V

N
|
N

A

T

V

V

R

-

L

L

G

V

S

K

D

D

G

G

R

K

L

W

I

I

G

G

D

Y

M

N

F

T

D
|
D

G

G

E

I

G

G

F

Y

V

V

R

N

G

G

V

L

L

K

R

Q

K

I

G

Y

K

E

Q

G

V

I

E

E

G

D

A

A

R

Y

A

I

L

L

I

I

A

L

G

G

A

A

G

G

V

A

G

S

S

K

A

G

I

I

A

A

A

N

S

E

L

L

A

Y

Q

K

A

-

G

-

V

-

E

-

H

-

L

-

A

-

I

I

F

V

D

R

A

P

N

T

E

L

A

T

T

V

A

A

T

N

A

R

L

T

L

M

D

S

R

R

L

F

K

N

Y

W

-

S

-

L

-

N

Y

I

P

N

Q

K

L

I

E

N

V

L

T

S

V

H

G

A

S

E

A

S

D

H

P

L

E

D

G

E

F

F

D

D

I

I

V

I

N

N

A

T

T

T

P

P

L

V

G

-

M

-

R

-

G

-

D

-

P

-

L

-

P

-

I

I

D

S

I

L

D

N

R

R

I

L

S

A

P

S

S

H

T

T

F

L

V

V

G

S

E

D

V

I

V

V

M

Y

T

N

K

P

E

Y

I

K

T

T

P

P

F

I

L

L

E

I

A

E

V

A

R

E

A

Q

R

R

G

G

C

N

A

P

F

I

Q

Y

V

N

G

G

T

L

D

D

M

M

L
x
F

F

V

E

H

Q
|
Q

I

-

P

-

A

-

Y

G

L

A

E

E

F

S

F

F

E

K

F

I

P

W

T

T

T

N

T

L

A

E

D

P

N

D

L

I

R

K

A

A

I

M

A

K

K

N

L

I

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S13 (≠ F19), S15 (≠ A21), N58 (≠ L65), T60 (= T67), K64 (= K71), N85 (= N92), D100 (= D108), F227 (≠ L248), Q230 (= Q251)

Q58484 Shikimate dehydrogenase (NADP(+)); SDH; EC 1.1.1.25 from Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) (Methanococcus jannaschii) (see paper)
32% identity, 72% coverage: 1:199/276 of query aligns to 1:200/282 of Q58484

query
sites
Q58484

M

M

I

I

T

N

G

A

T

K

T

T

K

K

L

V

I

I

A

G

H

L

L

I

G

G

Y

H

P

P

T

V

E

E

S

H

F

S

K

F

A

S

P

P

L

I

I

M

Y

H

N

N

P

A

Y

A

F

F

E

K

K

D

N

K

G

G

I

L

D

N

A

Y

V

V

V

Y

V

V

P

A

M

F

G

D

C

V

R

L

P

P

A

E

D

N

Y

L

P

K

V

Y

F

V

L

I

K

D

L

G

L

A

F

K

R

A

L

L

S

G

N

-

I

I

H

V

G

G

A

F

L

N

I

V

T

T

M

I

P

P

H

H

K

K

I

I

S

E

T

I

M

M

A

K

L

Y

L

L

D

D

E

E

T

I

S

D

T

K

N

D

A

A

K

Q

V

L

A

I

G

G

S

A

C

V

N

N

A

T

V

I

R

K

L

I

G

-

S

E

D

D

G

G

R

K

L

A

I

I

G

G

D

Y

M

N

F

T

D

D

G

G

E

I

G

G

F

A

V

R

R

M

G

A

V

L

L

E

R

E

K

E

G

I

K

G

Q

R

V

V

E

K

G

D

A

K

R

N

A

I

L

V

I

I

A

Y

G
|
G

A
|
A

G
|
G

V
x
A

G

A

S

R

A

A

I

V

A

A

A

F

S

E

L

L

A

A

Q

K

A

D

G

N

V

N

E

I

H

I

L

I

A

A

-
x
N

-
x
R

I
x
T

F
x
V

D
x
E

A
x
K

N

A

E

E

A

A

T

L

A

A

T

K

A

E

L

I

L

A

D

E

R

K

L

L

-

N

K

K

Y

F

Y

G

P

E

Q

E

L

V

E

K

V

F

T

S

V

G

G

L

S

D

A

V

D

D

P

L

E

D

G

G

F

V

D

D

I

I

V

I

N

N

A

A

T
|
T

P

P

L

I

G

G

M
|
M

GAGGA 130:134 (≠ GAGGV 132:136) binding NADP(+)
NRTVEK 152:157 (≠ --IFDA 154:157) binding NADP(+)
T196 (= T195) binding NADP(+)
M200 (= M199) binding NADP(+)

Sites not aligning to the query:

224 binding NADP(+)

1nvtB Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
32% identity, 72% coverage: 1:199/276 of query aligns to 6:205/287 of 1nvtB

query
sites
1nvtB

M

M

I

I

T

N

G

A

T

K

T

T

K

K

L

V

I

I

A

G

H

L

L

I

G

G

Y

H

P

P

T

V

E
|
E

S
x
H

F

S

K

F

A

S

P

P

L

I

I

M

Y

H

N

N

P

A

Y

A

F

F

E

K

K

D

N

K

G

G

I

L

D

N

A

Y

V

V

V

Y

V

V

P

A

M

F

G

D

C

V

R

L

P

P

A

E

D

N

Y

L

P

K

V

Y

F

V

L

I

K

D

L

G

L

A

F

K

R

A

L

L

S

G

N

-

I

I

H

V

G

G

A

F

L

N

I

V

T

T

M
x
I

P

P

H

H

K
|
K

I

I

S

E

T

I

M

M

A

K

L

Y

L

L

D

D

E

E

T

I

S

D

T

K

N

D

A

A

K

Q

V

L

A

I

G

G

S

A

C

V

N

N

A

T

V

I

R

K

L

I

G

-

S

E

D

D

G

G

R

K

L

A

I

I

G

G

D

Y

M

N

F

T

D
|
D

G

G

E

I

G

G

F

A

V

R

R

M

G

A

V

L

L

E

R

E

K

E

G

I

K

G

Q

R

V

V

E

K

G

D

A

K

R

N

A

I

L

V

I

I

A

Y

G
|
G

A

A

G
|
G

V
x
A

G

A

S

R

A

A

I

V

A

A

A

F

S

E

L

L

A

A

Q

K

A

D

G

N

V

N

E

I

H

I

L

I

A

A

-
x
N

-
x
R

I
x
T

F

V

D

E

A
x
K

N

A

E

E

A

A

T

L

A

A

T

K

A

E

L

I

L

A

D

E

R

K

L

L

-

N

K

K

Y

F

Y

G

P

E

Q

E

L

V

E

K

V

F

T

S

V

G

G

L

S

D

A

V

D

D

P

L

E

D

G

G

F

V

D

D

I

I

V

I

N

N

A
|
A

T
|
T

P
|
P

L
x
I

G

G

M
|
M

active site: K75 (= K71), D111 (= D108)
binding nadp nicotinamide-adenine-dinucleotide phosphate: I72 (≠ M68), G135 (= G132), G137 (= G134), G138 (= G135), A139 (≠ V136), N157 (vs. gap), R158 (vs. gap), T159 (≠ I154), K162 (≠ A157), A200 (= A194), T201 (= T195), P202 (= P196), I203 (≠ L197), M205 (= M199)
binding zinc ion: E22 (= E17), H23 (≠ S18)

Sites not aligning to the query:

binding nadp nicotinamide-adenine-dinucleotide phosphate: 229, 231, 255, 256

1nvtA Crystal structure of shikimate dehydrogenase (aroe or mj1084) in complex with NADP+ (see paper)
32% identity, 72% coverage: 1:199/276 of query aligns to 6:205/287 of 1nvtA

query
sites
1nvtA

M

M

I

I

T

N

G

A

T

K

T

T

K

K

L

V

I

I

A

G

H

L

L

I

G

G

Y

H

P

P

T

V

E

E

S

H

F

S

K

F

A

S

P

P

L

I

I

M

Y

H

N

N

P

A

Y

A

F

F

E

K

K

D

N

K

G

G

I

L

D

N

A

Y

V

V

V

Y

V

V

P

A

M

F

G

D

C

V

R

L

P

P

A

E

D

N

Y

L

P

K

V

Y

F

V

L

I

K

D

L

G

L

A

F

K

R

A

L

L

S

G

N

-

I

I

H

V

G

G

A

F

L

N

I

V

T

T

M

I

P

P

H

H

K
|
K

I

I

S

E

T

I

M

M

A

K

L

Y

L

L

D

D

E

E

T

I

S

D

T

K

N

D

A

A

K

Q

V

L

A

I

G

G

S

A

C

V

N

N

A

T

V

I

R

K

L

I

G

-

S

E

D

D

G

G

R

K

L

A

I

I

G

G

D

Y

M

N

F

T

D
|
D

G

G

E

I

G

G

F

A

V

R

R

M

G

A

V

L

L

E

R

E

K

E

G

I

K

G

Q

R

V

V

E

K

G

D

A

K

R

N

A

I

L

V

I

I

A

Y

G
|
G

A

A

G

G

V
x
A

G

A

S

R

A

A

I

V

A

A

A

F

S

E

L

L

A

A

Q

K

A

D

G

N

V

N

E

I

H

I

L

I

A

A

-
x
N

-
x
R

I
x
T

F

V

D

E

A
x
K

N

A

E

E

A

A

T

L

A

A

T

K

A

E

L

I

L

A

D

E

R

K

L

L

-

N

K

K

Y

F

Y

G

P

E

Q

E

L

V

E

K

V

F

T

S

V

G

G

L

S

D

A

V

D

D

P

L

E

D

G

G

F

V

D

D

I

I

V

I

N

N

A
|
A

T
|
T

P
|
P

L
x
I

G

G

M
|
M

active site: K75 (= K71), D111 (= D108)
binding nadp nicotinamide-adenine-dinucleotide phosphate: G135 (= G132), A139 (≠ V136), N157 (vs. gap), R158 (vs. gap), T159 (≠ I154), K162 (≠ A157), A200 (= A194), T201 (= T195), P202 (= P196), I203 (≠ L197), M205 (= M199)

Sites not aligning to the query:

binding nadp nicotinamide-adenine-dinucleotide phosphate: 229, 231, 252, 255, 256

7colA Crystal structure of 5-ketofructose reductase complexed with NADPH (see paper)
31% identity, 86% coverage: 16:251/276 of query aligns to 8:252/280 of 7colA

query
sites
7colA

T

T

E

G

S

S

F

F

K

S

A

T

P

P

L

C

I

A

Y

D

N

N

P

P

Y

T

-

V

-

A

-

M

-

V

-

E

-

A

-

G

F

Y

E

H

K

H

N

A

G

G

I

L

D

D

A

A

V

R

V

Y

V

I

P

N

M

C

G

D

C

V

R

K

P

A

A

S

D

G

Y

L

P

A

V

D

F

A

L

V

K

K

L

G

L

A

F

K

R

A

L

M

S

E

N

W

I

V

H

-

G

G

A

F

L

N

I

C

T

S

M

L

P

P

H

H

K

K

I

V

S

A

T

V

M

L

A

D

L

H

L

L

D

D

E

D

T

I

S

A

T

E

N

S

A

A

K

R

V

L

A

I

G

G

S

A

C

V

N

N

A

C

V

V

R

A

L

I

G

-

S

R

D

E

G

G

R

K

L

L

I

I

G

G

D

H

M

N

F

T

D

D

G

G

E

K

G

G

F

F

V

L

R

A

G

S

V

-

L

L

R

K

K

T

G

V

K

T

Q

S

V

P

E

A

G

G

A

K

R

R

A

V

L

V

I

I

A

L

G
|
G

A

A

G
|
G

V
x
A

G

A

S

R

A

A

I

I

A

A

A

V

S

E

L

L

A

A

Q

L

A

A

G

G

V

A

E

A

H

H

L

I

A

T

I

I

F

V

-
x
N

-
x
R

D

D

A

A

N

S

E
x
K

A

A

-

E

T

T

A

I

T

A

A

A

L

L

L

I

D

N

R

D

L

K

K

T

K

E

Y

A

Y

T

P

G

Q

E

L

A

E

Q

V

A

T

W

V

S

G

G

S

K

-

F

A

S

D

L

P

P

E

T

G

G

F

T

D

D

I

I

V

L

V

I

N

N

A

A

T
|
T

P
x
S

L
x
I

G

G

M

L

R

-

G

G

D

D

P

P

L

N

-

A

-

P

P

P

I

V

D

E

I

M

D

G

R

S

I

L

S

T

P

K

S

E

T

T

F

V

V

V

G

A

E

D

V
|
V

V

I

M

P

T

N

K

P

E

P

I

Q

T

T

P

R

F

F

L

L

E

K

A

D

V

A

R

K

A

A

R

L

G

G

C

C

A

T

F

T

Q

L

V

D

G

G

T

L

D

G

M

M

L

L

F

V

E

N

Q
|
Q

binding nadph dihydro-nicotinamide-adenine-dinucleotide phosphate: G128 (= G132), G130 (= G134), G131 (= G135), A132 (≠ V136), N152 (vs. gap), R153 (vs. gap), K157 (≠ E159), T195 (= T195), S196 (≠ P196), I197 (≠ L197), V222 (= V221), Q252 (= Q251)

2hk9B Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
24% identity, 91% coverage: 1:251/276 of query aligns to 1:242/267 of 2hk9B

query
sites
2hk9B

M

M

I

I

T

N

G

A

T

Q

T

T

K

Q

L

L

I

Y

A

G

H

V

L

I

G

G

Y

F

P

P

T

V

E

K

S

H

F
x
S

K

L

A
x
S

P

P

L

V

I

F

Y

Q

N

N

P

A

Y

L

F

I

E

R

K

Y

N

A

G

G

I

L

D

N

A

A

V

V

V

Y

V

L

P

A

M

F

G

E

C

I

R

N

P

P

A

E

D

E

Y

L

P

K

V

K

F

A

L

F

K

E

L

G

L

-

F

F

R

K

L

A

S

L

N

K

I

V

H

K

G

G

A

I

L
x
N

I

V

T
|
T

M
x
V

P

P

H

F

K
|
K

I

E

S

E

T

I

M

I

A

P

L

L

D

D

E

Y

T

V

S

E

T

D

N

T

A

A

K

K

V

E

A

I

G

G

S

A

C

V

N
|
N

A

T

V

V

R

K

L

F

G

-

S

E

D

N

G

G

R

K

L

A

I

Y

G

G

D

Y

M

N

F

T

D
|
D

G

W

E

I

G

G

F

F

V

L

R

K

G

S

V

L

L

K

R

S

K

L

G

I

K

P

Q

E

V

V

E

K

G

E

A

K

R

S

A

I

L

L

I

V

A

L

G
|
G

A

A

G

G

G
|
G

V
x
A

G

S

S

R

A

A

I

V

A

I

A

Y

S

A

L

L

A

V

Q

K

A

E

G

G

V

A

E

K

H

-

L

-

A

-

I

V

F

F

D

L

A

W

N
|
N

E
x
R

A
x
T

T

K

A

E

T
x
K

A

A

L

I

L

-

D

-

R

K

L

L

K

A

K

Q

Y

K

Y

F

P

P

Q

L

L

E

E

V

V

V

T

N

V

S

G

P

S

E

A

E

D

V

P

I

E

D

G

K

F

V

D

Q

I

V

V

I

V

V

N

N

A

T

T
|
T

P
x
S

L
x
V

G

G

M

L

R

K

R

D

G

E

D

D

P

P

L

E

P

I

I

F

D

N

I

Y

D

D

R

L

I

I

S

K

P

K

S

D

T

H

F

V

V

V

G

V

E

D

V
x
I

V

I

M
x
Y

T

K

K

E

E

-

I

-

T

T

P

K

F

L

L

L

E

K

A

K

V

A

R

K

A

E

R

K

G

G

C

A

A

K

F

L

Q

L

V

D

G

G

T

L

D

P

M
|
M

L
|
L

F

L

E

W

Q
|
Q

binding nadp nicotinamide-adenine-dinucleotide phosphate: V67 (≠ M68), G130 (= G132), G133 (= G135), A134 (≠ V136), N153 (= N158), R154 (≠ E159), T155 (≠ A160), K158 (≠ T163), T188 (= T195), S189 (≠ P196), V190 (≠ L197), I214 (≠ V221), M238 (= M247), L239 (= L248)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (≠ F19), S21 (≠ A21), N64 (≠ L65), T66 (= T67), K70 (= K71), N91 (= N92), D106 (= D108), Y216 (≠ M223), L239 (= L248), Q242 (= Q251)

2hk9A Crystal structure of shikimate dehydrogenase from aquifex aeolicus in complex with shikimate and NADP+ at 2.2 angstrom resolution (see paper)
24% identity, 91% coverage: 1:251/276 of query aligns to 1:242/269 of 2hk9A

query
sites
2hk9A

M

M

I

I

T

N

G

A

T

Q

T

T

K

Q

L

L

I

Y

A

G

H

V

L

I

G

G

Y

F

P

P

T

V

E

K

S

H

F
x
S

K

L

A
x
S

P

P

L

V

I

F

Y

Q

N

N

P

A

Y

L

F

I

E

R

K

Y

N

A

G

G

I

L

D

N

A

A

V

V

V

Y

V

L

P

A

M

F

G

E

C

I

R

N

P

P

A

E

D

E

Y

L

P

K

V

K

F

A

L

F

K

E

L

G

L

-

F

F

R

K

L

A

S

L

N

K

I

V

H

K

G

G

A

I

L
x
N

I

V

T

T

M
x
V

P

P

H

F

K
|
K

I

E

S

E

T

I

M

I

A

P

L

L

D

D

E

Y

T

V

S

E

T

D

N

T

A

A

K

K

V

E

A

I

G

G

S

A

C

V

N
|
N

A

T

V

V

R

K

L

F

G

-

S

E

D

N

G

G

R

K

L

A

I

Y

G

G

D

Y

M

N

F

T

D
|
D

G

W

E

I

G

G

F

F

V

L

R

K

G

S

V

L

L

K

R

S

K

L

G

I

K

P

Q

E

V

V

E

K

G

E

A

K

R

S

A

I

L

L

I

V

A

L

G

G

A

A

G
|
G

V
x
A

G

S

S

R

A

A

I

V

A

I

A

Y

S

A

L

L

A

V

Q

K

A

E

G

G

V

A

E

K

H

-

L

-

A

-

I

V

F

F

D

L

A

W

N
|
N

E
x
R

A
x
T

T

K

A

E

T

K

A

A

L

I

L

-

D

-

R

K

L

L

K

A

K

Q

Y

K

Y

F

P

P

Q

L

L

E

E

V

V

V

T

N

V

S

G

P

S

E

A

E

D

V

P

I

E

D

G

K

F

V

D

Q

I

V

V

I

V

V

N

N

A

T

T
|
T

P
x
S

L
x
V

G

G

M

L

R

K

R

D

G

E

D

D

P

P

L

E

P

I

I

F

D

N

I

Y

D

D

R

L

I

I

S

K

P

K

S

D

T

H

F

V

V

V

G

V

E

D

V

I

M
x
Y

T

K

K

E

E

-

I

-

T

T

P

K

F

L

L

L

E

K

A

K

V

A

R

K

A

E

R

K

G

G

C

A

A

K

F

L

Q

L

V

D

G

G

T

L

D

P

M

M

L
|
L

F

L

E

W

Q
|
Q

binding 2'-monophosphoadenosine-5'-diphosphate: V67 (≠ M68), G132 (= G134), G133 (= G135), A134 (≠ V136), N153 (= N158), R154 (≠ E159), T155 (≠ A160), T188 (= T195), S189 (≠ P196), V190 (≠ L197)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: S19 (≠ F19), S21 (≠ A21), N64 (≠ L65), K70 (= K71), N91 (= N92), D106 (= D108), Y216 (≠ M223), L239 (= L248), Q242 (= Q251)

O67049 Shikimate dehydrogenase (NADP(+)); SD; SDH; EC 1.1.1.25 from Aquifex aeolicus (strain VF5) (see paper)
24% identity, 91% coverage: 1:251/276 of query aligns to 1:242/269 of O67049

query
sites
O67049

M

M

I

I

T

N

G

A

T

Q

T

T

K

Q

L

L

I

Y

A

G

H

V

L

I

G

G

Y

F

P

P

T

V

E

K

S

H

F
x
S

K
x
L

A
x
S

P

P

L

V

I

F

Y

Q

N

N

P

A

Y

L

F

I

E

R

K

Y

N

A

G

G

I

L

D

N

A

A

V

V

V

Y

V

L

P

A

M

F

G

E

C

I

R

N

P

P

A

E

D

E

Y

L

P

K

V

K

F

A

L

F

K

E

L

G

L

-

F

F

R

K

L

A

S

L

N

K

I

V

H

K

G

G

A

I

L

N

I

V

T

T

M

V

P

P

H

F

K

K

I

E

S

E

T

I

M

I

A

P

L

L

D

D

E

Y

T

V

S

E

T
x
D

N

T

A

A

K

K

V

E

A

I

G

G

S

A

C

V

N
|
N

A

T

V

V

R

K

L

F

G

-

S

E

D

N

G

G

R

K

L

A

I

Y

G

G

D

Y

M

N

F

T

D
|
D

G

W

E

I

G

G

F

F

V

L

R

K

G

S

V

L

L

K

R

S

K

L

G

I

K

P

Q

E

V

V

E

K

G

E

A

K

R

S

A

I

L

L

I

V

A

L

G
|
G

A
|
A

G
|
G

V
x
A

G

S

S

R

A

A

I

V

A

I

A

Y

S

A

L

L

A

V

Q

K

A

E

G

G

V

A

E

K

H

-

L

-

A

-

I

V

F

F

D

L

A

W

N

N

E

R

A

T

T

K

A

E

T

K

A

A

L

I

L

-

D

-

R

K

L

L

K

A

K

Q

Y

K

Y

F

P

P

Q

L

L

E

E

V

V

V

T

N

V

S

G

P

S

E

A

E

D

V

P

I

E

D

G

K

F

V

D

Q

I

V

V

I

V

V

N

N

A

T

T

T

P

S

L

V

G

G

M

L

R

K

R

D

G

K

D

D

P

P

L

E

P

I

I

F

D

N

I

Y

D

D

R

L

I

I

S

K

P

K

S

D

T

H

F

V

V

V

G

V

E

D

V
x
I

V

I

M
x
Y

T

K

K

E

E

-

I

-

T

T

P

K

F

L

L

L

E

K

A

K

V

A

R

K

A

E

R

K

G

G

C

A

A

K

F

L

Q

F

V

D

G
|
G

T

L

D

P

M

M

L

L

F

L

E

W

Q
|
Q

SLS 19:21 (≠ FKA 19:21) binding shikimate
D82 (≠ T83) binding NADP(+)
N91 (= N92) binding shikimate
D106 (= D108) binding shikimate
GAGGA 130:134 (≠ GAGGV 132:136) binding NADP(+)
I214 (≠ V221) binding NADP(+)
Y216 (≠ M223) binding shikimate
G235 (= G244) binding NADP(+)
Q242 (= Q251) binding shikimate

Q9X5C9 Quinate/shikimate dehydrogenase (NAD(+)); QSDH; EC 1.1.1.-; EC 1.1.1.24 from Corynebacterium glutamicum (strain ATCC 13032 / DSM 20300 / JCM 1318 / BCRC 11384 / CCUG 27702 / LMG 3730 / NBRC 12168 / NCIMB 10025 / NRRL B-2784 / 534) (see paper)
34% identity, 72% coverage: 62:259/276 of query aligns to 64:266/283 of Q9X5C9

query
sites
Q9X5C9

H

N

G

G

A

L

L

N

I

I

T
|
T

M

H

P

P

H

Y

K
|
K

I

Q

S

A

T

V

M

L

A

P

L

L

D

D

E

E

T

V

S

S

T

E

N

Q

A

A

K

T

V

Q

A

L

G

G

S

A

C

V

N
|
N

A

T

V

V

R

V

L

I

G

D

S

A

D

T

G

G

R

H

L

T

I

T

G

G

D

H

M

N

F

T

D
|
D

G

V

E

S

G

G

F

F

V

G

R

R

G

G

V

M

L

E

R

E

K

G

G

L

K

P

Q

N

V

A

E

K

G

L

A

D

R

S

A

V

L

V

I

Q

A

V

G

G

A

A

G

G

G
|
G

V
|
V

G

G

S

N

A

A

I

V

A

A

A

Y

S

A

L

L

A

V

Q

T

A

H

G

G

V

V

E

Q

H

K

L

L

A

Q

I

V

F

A

D
|
D

A

L

N

D

E

T

A

S

T
x
R

A

A

T

Q

A

A

L

L

L

A

D

D

R

V

L

I

K

N

Y

A

Y

V

P

G

Q

R

L

-

E

E

V

A

T

V

V

V

G

G

S

-

A

V

D

D

P

A

E

R

G

G

F

I

-

E

-

D

-

V

-

I

-

A

D

D

I

G

V

V

N

N

A

A

T

T

P
|
P

L
x
M

G
|
G

M
|
M

R

P

R

A

G

H

D

P

P

G

L

T

P
x
A

I

F

D

D

I

V

D

S

R

C

I

L

S

T

P

K

S

D

T

H

F

W

V

V

G

G

E

D

V
|
V

V

V

M

Y

T

M

K

P

E

I

I

E

T

T

P

E

F

L

L

L

E

K

A

A

V

A

R

R

A

A

R

L

G

G

C

C

A

E

F

T

Q

L

V

D

G
|
G

T

T

D

R

M

M

L

A

F

I

E

H

Q
|
Q

I

A

P

V

A

D

Y

A

L

F

E

R

F

L

F

F

T69 (= T67) binding L-quinate; binding shikimate
K73 (= K71) active site, Proton acceptor; binding L-quinate; binding shikimate
N94 (= N92) binding L-quinate; binding shikimate
D110 (= D108) binding L-quinate; binding shikimate
GV 137:138 (= GV 135:136) binding NAD(+)
D158 (= D156) binding NAD(+)
R163 (≠ T161) binding NAD(+)
PMGM 203:206 (≠ PLGM 196:199) binding NAD(+)
A213 (≠ P206) binding NAD(+)
V228 (= V221) binding NAD(+)
G251 (= G244) binding NAD(+)
Q258 (= Q251) binding L-quinate; binding shikimate

Sites not aligning to the query:

17 binding shikimate
17:19 binding L-quinate

3jyqA Quinate dehydrogenase from corynebacterium glutamicum in complex with shikimate and nadh (see paper)
34% identity, 72% coverage: 62:259/276 of query aligns to 63:265/282 of 3jyqA

query
sites
3jyqA

H

N

G

G

A

L

L
x
N

I

I

T
|
T

M

H

P

P

H

Y

K

K

I

Q

S

A

T

V

M

L

A

P

L

L

D

D

E

E

T

V

S

S

T

E

N

Q

A

A

K

T

V

Q

A

L

G

G

S

A

C

V

N
|
N

A

T

V

V

R

V

L

I

G

D

S

A

D

T

G

G

R

H

L

T

I

T

G

G

D

H

M

N

F

T

D
|
D

G

V

E

S

G

G

F

F

V

G

R

R

G

G

V

M

L

E

R

E

K

G

G

L

K

P

Q

N

V

A

E

K

G

L

A

D

R

S

A

V

L

V

I

Q

A
x
V

G

G

A

A

G
|
G

V
|
V

G

G

S

N

A

A

I

V

A

A

A

Y

S

A

L

L

A

V

Q

T

A

H

G

G

V

V

E

Q

H

K

L

L

A

Q

I

V

F

A

D
|
D

A
x
L

N

D

E

T

A

S

T
x
R

A

A

T

Q

A

A

L

L

L

A

D

D

R

V

L

I

K

N

Y

A

Y

V

P

G

Q

R

L

-

E

E

V

A

T

V

V

V

G

G

S

-

A

V

D

D

P

A

E

R

G

G

F

I

-

E

-

D

-

V

-

I

-

A

D

D

I

G

V

V

N

N

A

A

T
|
T

P
|
P

L

M

G

G

M
|
M

R

P

R

A

G

H

D

P

P

G

L

T

P

A

I

F

D

D

I

V

D

S

R

C

I

L

S

T

P

K

S

D

T

H

F

W

V

V

G

G

E

D

V
|
V

V

V

M

Y

T

M

K

P

E

I

I

E

T

T

P

E

F

L

L

L

E

K

A

A

V

A

R

R

A

A

R

L

G

G

C

C

A

E

F

T

Q

L

V

D

G

G

T

T

D

R

M

M

L
x
A

F

I

E

H

Q
|
Q

I

A

P

V

A

D

Y

A

L

F

E

R

F

L

F

F

binding nicotinamide-adenine-dinucleotide: V132 (≠ A131), G135 (= G134), G136 (= G135), V137 (= V136), D157 (= D156), L158 (≠ A157), R162 (≠ T161), T201 (= T195), P202 (= P196), M205 (= M199), V227 (= V221), A254 (≠ L248)
binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: N66 (≠ L65), T68 (= T67), N93 (= N92), D109 (= D108), Q257 (= Q251)

Sites not aligning to the query:

binding (3r,4s,5r)-3,4,5-trihydroxycyclohex-1-ene-1-carboxylic acid: 16

3jypA Quinate dehydrogenase from corynebacterium glutamicum in complex with quinate and nadh (see paper)
34% identity, 72% coverage: 62:259/276 of query aligns to 63:265/282 of 3jypA

query
sites
3jypA

H

N

G

G

A

L

L
x
N

I

I

T
|
T

M

H

P

P

H

Y

K
|
K

I

Q

S

A

T

V

M

L

A

P

L

L

D

D

E

E

T

V

S

S

T

E

N

Q

A

A

K

T

V

Q

A

L

G

G

S

A

C

V

N
|
N

A

T

V

V

R

V

L

I

G

D

S

A

D

T

G

G

R

H

L

T

I

T

G

G

D

H

M

N

F

T

D
|
D

G

V

E

S

G

G

F

F

V

G

R

R

G

G

V

M

L

E

R

E

K

G

G

L

K

P

Q

N

V

A

E

K

G

L

A

D

R

S

A

V

L

V

I

Q

A
x
V

G

G

A

A

G
|
G

G

G

V
|
V

G

G

S

N

A

A

I

V

A

A

A

Y

S

A

L

L

A

V

Q

T

A

H

G

G

V

V

E

Q

H

K

L

L

A

Q

I

V

F

A

D
|
D

A
x
L

N

D

E

T

A

S

T
x
R

A

A

T

Q

A

A

L

L

L

A

D

D

R

V

L

I

K

N

Y

A

Y

V

P

G

Q

R

L

-

E

E

V

A

T

V

V

V

G

G

S

-

A

V

D

D

P

A

E

R

G

G

F

I

-

E

-

D

-

V

-

I

-

A

D

D

I

G

V

V

N

N

A

A

T
|
T

P
|
P

L

M

G

G

M
|
M

R

P

R

A

G

H

D

P

P

G

L

T

P
x
A

I

F

D

D

I

V

D

S

R

C

I

L

S

T

P

K

S

D

T

H

F

W

V

V

G

G

E

D

V
|
V

V

V

M
x
Y

T

M

K

P

E

I

I

E

T

T

P

E

F

L

L

L

E

K

A

A

V

A

R

R

A

A

R

L

G

G

C

C

A

E

F

T

Q

L

V

D

G

G

T

T

D

R

M

M

L
x
A

F

I

E

H

Q
|
Q

I

A

P

V

A

D

Y

A

L

F

E

R

F

L

F

F

binding nicotinamide-adenine-dinucleotide: V132 (≠ A131), G135 (= G134), V137 (= V136), D157 (= D156), L158 (≠ A157), R162 (≠ T161), T201 (= T195), P202 (= P196), M205 (= M199), A212 (≠ P206), V227 (= V221), Y229 (≠ M223), A254 (≠ L248)
binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: N66 (≠ L65), T68 (= T67), K72 (= K71), N93 (= N92), D109 (= D108), Q257 (= Q251)

Sites not aligning to the query:

binding (1S,3R,4S,5R)-1,3,4,5-tetrahydroxycyclohexanecarboxylic acid: 16, 18

3jyoA Quinate dehydrogenase from corynebacterium glutamicum in complex with NAD (see paper)
34% identity, 72% coverage: 62:259/276 of query aligns to 63:265/282 of 3jyoA

query
sites
3jyoA

H

N

G

G

A

L

L

N

I

I

T

T

M

H

P

P

H

Y

K

K

I

Q

S

A

T

V

M

L

A

P

L

L

D

D

E

E

T

V

S

S

T

E

N

Q

A

A

K

T

V

Q

A

L

G

G

S

A

C

V

N

N

A

T

V

V

R

V

L

I

G

D

S

A

D

T

G

G

R

H

L

T

I

T

G

G

D

H

M

N

F

T

D

D

G

V

E

S

G

G

F

F

V

G

R

R

G

G

V

M

L

E

R

E

K

G

G

L

K

P

Q

N

V

A

E

K

G

L

A

D

R

S

A

V

L

V

I

Q

A
x
V

G

G

A

A

G
|
G

G

G

V
|
V

G

G

S

N

A

A

I

V

A

A

A

Y

S

A

L

L

A

V

Q

T

A

H

G

G

V

V

E

Q

H

K

L

L

A

Q

I

V

F

A

D
|
D

A
x
L

N

D

E

T

A

S

T
x
R

A

A

T

Q

A

A

L

L

L

A

D

D

R

V

L

I

K

N

Y

A

Y

V

P

G

Q

R

L

-

E

E

V

A

T

V

V

V

G

G

S

-

A

V

D

D

P

A

E

R

G

G

F

I

-

E

-

D

-

V

-

I

-

A

D

D

I

G

V

V

N

N

A

A

T
|
T

P
|
P

L

M

G

G

M
|
M

R

P

R

A

G

H

D

P

P

G

L

T

P

A

I

F

D

D

I

V

D

S

R

C

I

L

S

T

P

K

S

D

T

H

F

W

V

V

G

G

E

D

V
|
V

V

V

M
x
Y

T

M

K

P

E

I

I

E

T

T

P

E

F

L

L

L

E

K

A

A

V

A

R

R

A

A

R

L

G

G

C

C

A

E

F

T

Q

L

V

D

G

G

T

T

D

R

M

M

L
x
A

F

I

E

H

Q

Q

I

A

P

V

A

D

Y

A

L

F

E

R

F

L

F

F

binding nicotinamide-adenine-dinucleotide: V132 (≠ A131), G135 (= G134), V137 (= V136), D157 (= D156), L158 (≠ A157), R162 (≠ T161), T201 (= T195), P202 (= P196), M205 (= M199), V227 (= V221), Y229 (≠ M223), A254 (≠ L248)

Query Sequence

>WP_012763513.1 NCBI__GCF_000023185.1:WP_012763513.1
MITGTTKLIAHLGYPTESFKAPLIYNPYFEKNGIDAVVVPMGCRPADYPVFLKLLFRLSN
IHGALITMPHKISTMALLDETSTNAKVAGSCNAVRLGSDGRLIGDMFDGEGFVRGVLRKG
KQVEGARALIAGAGGVGSAIAASLAQAGVEHLAIFDANEATATALLDRLKKYYPQLEVTV
GSADPEGFDIVVNATPLGMRRGDPLPIDIDRISPSTFVGEVVMTKEITPFLEAVRARGCA
FQVGTDMLFEQIPAYLEFFEFPTTTADNLRAIAKLE

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