SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_013010361.1 NCBI__GCF_000025725.1:WP_013010361.1 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)

6ktqA Crystal structure of catalytic domain of homocitrate synthase from sulfolobus acidocaldarius (sahcs(dram)) in complex with alpha- ketoglutarate/zn2+/coa (see paper)
35% identity, 91% coverage: 5:345/376 of query aligns to 26:370/399 of 6ktqA

query
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6ktqA

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binding 2-oxoglutaric acid: R30 (= R9), R154 (≠ S129), T156 (≠ G131), E158 (= E133), S184 (≠ R159), T188 (= T163), H216 (= H190), H218 (= H192)
binding coenzyme a: V67 (≠ M46), R96 (= R71), A97 (= A72), F116 (≠ S91), H128 (≠ L103), E158 (= E133)
binding zinc ion: E31 (≠ D10), H216 (= H190), H218 (= H192)

Q9JZG1 2-isopropylmalate synthase; Alpha-IPM synthase; Alpha-isopropylmalate synthase; EC 2.3.3.13 from Neisseria meningitidis serogroup B (strain MC58) (see 2 papers)
34% identity, 95% coverage: 1:357/376 of query aligns to 7:376/517 of Q9JZG1

query
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Q9JZG1

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D16 (= D10) binding Mn(2+)
H204 (= H190) binding Mn(2+)
H206 (= H192) binding Mn(2+)
N240 (= N226) binding Mn(2+)

Sites not aligning to the query:

366:517 Required for the condensation reaction. Not required to bind substrate

3ivtB Homocitrate synthase lys4 bound to 2-og (see paper)
32% identity, 92% coverage: 3:348/376 of query aligns to 32:380/400 of 3ivtB

query
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3ivtB

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active site: Q42 (= Q13)
binding 2-oxoglutaric acid: R38 (= R9), H98 (≠ W69), R158 (≠ S129), S160 (≠ G131), T192 (= T163), H219 (= H190), H221 (= H192)
binding zinc ion: E39 (≠ D10), H219 (= H190), H221 (= H192)

Q9Y823 Homocitrate synthase, mitochondrial; HCS; EC 2.3.3.14 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see 2 papers)
32% identity, 92% coverage: 3:348/376 of query aligns to 37:385/418 of Q9Y823

query
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Q9Y823

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A

K

H

I

G

G

A

V

D

N

R

R

F

V

R

G

F

I

C

A

D

D

T
|
T

V

V

G

G

I

C

L

A

D

T

P

P

F

R

K

Q

T

V

Y

Y

E

D

L

L

T

I

A

R

K

T

I

L

R

R

E

G

I

V

T

V

S

S

M

C

D

D

I

I

E
|
E

I

C

H
|
H

T

F

H
|
H

N

N

D

D

F

T

G

G

M

M

A

A

T

I

A

A

N

N

A

A

L

Y

A

C

A

A

V

L

R

E

A

A

G

G

A

A

T

T

H

H

V

I

N

D

T

T

T

S

V

I

I

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

P

P

L

L

E

G

E

A

I

L

M

A

A

-

S

-

R

-

H

R

V

M

Y

Y

G

V

M

T

D

D

D

R

A

E

F

Y

D

I

T

T

-

H

-

K

-

Y

-

K

-

L

K

N

T

Q

M

L

R
|
R

S

E

L

L

S

E

E

N

Y

L

V

V

A

A

Q

D

A

A

A

V

G

E

R

V

N

Q

L

I

D

P

P

F

Q

N

R

N

P

Y

V

I

I

T

G

G

E

M

F

C

M

A

F

F

T

T

H

H

E

K

S

A

G

G

I

I

H

H

T

A

D

K

G

A

V

I

L

L

K

A

N

N

P

P

K

S

N

T

Y
|
Y

E

E

A

I

F

L

D

K

P

P

A

E

E

D

L

F

N

G

M

M

Q

S

R

R

N

Y

L

V

V

H

F

V

G

G

N

S

Q

R

-

L

S

T

G

G

L

W

A

N

V

A

L

I

K

K

Y

S

I

R

L

A

E

E

Q
|
Q

E

L

G

N

I

L

V

H

L

L

E

T

S

D

Y

A

Q

Q

L

A

T

K

G

E

L

L

L

T

H

V

E

R

A

I

K

K

L

L

A

A

R43 (= R9) binding 2-oxoglutarate; mutation R->A,K,Q: Abolishes the catalytic activity.
E44 (≠ D10) binding 2-oxoglutarate; binding L-lysine; binding Zn(2+)
Q47 (= Q13) mutation to A: Abolishes the catalytic activity.
E74 (= E40) mutation to A: Abolishes the catalytic activity.; mutation to Q: Results in a moderate decrease in the turnover number and a slight increase in the Km value for each substrate.
H103 (≠ W69) binding 2-oxoglutarate; mutation to A: Substantially impairs catalytic efficiency.
D123 (≠ E89) binding L-lysine; mutation to N: Does not affect the catalytic activity but impairs L-lysine inhibition.
R163 (≠ S129) binding 2-oxoglutarate; mutation R->A,Q: Abolishes the catalytic activity.; mutation to K: Severely diminishes affinity for 2-oxoglutarate and substantially impairs catalytic efficiency.
S165 (≠ G131) binding 2-oxoglutarate; mutation to A: Results in a moderate decrease in catalytic efficiency.
E167 (= E133) mutation E->A,Q: Abolishes the catalytic activity.
T197 (= T163) binding 2-oxoglutarate; binding L-lysine; mutation to A: Exhibits a 25-fold decrease in catalytic efficiency.; mutation to S: Results in a modest decrease in catalytic efficiency.; mutation to V: Abolishes the catalytic activity.
E222 (= E188) mutation to Q: Does not affect the catalytic activity but impairs L-lysine inhibition.
H224 (= H190) binding 2-oxoglutarate; binding Zn(2+)
H226 (= H192) binding 2-oxoglutarate; binding Zn(2+)
R288 (= R252) mutation to K: Does not affect the catalytic activity but impairs L-lysine inhibition.
Y332 (= Y296) mutation to A: Abolishes the catalytic activity.; mutation to F: Results in a decrease in catalytic efficiency.
Q364 (= Q327) mutation to R: Does not affect the catalytic activity but impairs L-lysine inhibition.

6e1jA Crystal structure of methylthioalkylmalate synthase (bjumam1.1) from brassica juncea (see paper)
32% identity, 94% coverage: 5:356/376 of query aligns to 22:400/409 of 6e1jA

query
sites
6e1jA

D

D

T

T

L

L

R

R

D
|
D

G

G

E

E

Q
|
Q

T

S

P

P

G

G

V

A

A

A

F

L

S

T

R

P

K

P

E

Q

K

K

L

I

T

E

I

I

V

A

K

R

H

Q

L

L

D

A

A

K

I

L

G

R

V

V

Q

D

E

I

I

M

E

E

A

V

G

G

I
x
F

P

P

V

V

M
x
S

G

S

L

E

A

E

E

E

S

F

R

E

M

T

F

I

E

Q

S

T

I

I

M

A

-

K

-

T

-

V

-

G

-

N

-

E

-
x
V

-

D

-
x
E

E

E

L

T

G

G

L

Y

D

I

A

P

R

V

I

I

I

C

A

V

W
x
I

N

A

R
|
R

A

S

L

K

I

E

G

R

D

D

V

I

Q

K

A

A

S

A

I

W

A

E

-

S

-

V

-

K

-

Y

A

A

G

K

A

R

N

P

S

R

I

I

E

V

I

I

S
x
F

L

T

P

S

M

T

S

S

D

D

V

I

Q

H

I

L

N

K

T

Y

K
|
K

L
|
L

N

K

K

M

T

T

R

R

G

E

W

E

I

V

L

V

D

D

Q

M

V

V

K

A

S

S

V

S

L

I

D

R

F

F

C

A

A

K

N

S

H

L

D

G

L

F

Y

E

-

D

I

I

S

E

V

F

G

G

G

C

E

E

D

D

A

G

S

G

R

R

A

S

D

D

F

K

D

D

F

Y

L

I

A

C

E

T

Y

V

I

F

R

E

T

E

I

A

E

I

A

K

H

A

G

G

A

A

D

T

R

T

F

L

R

A

F

C

C
x
P

D

D

T
|
T

V

V

G

G

I

I

L

N

D

M

P

P

F

H

K

E

T

Y

Y

G

E

K

L

L

T

V

A

R

K

Y

I

I

R

K

E

A

-

N

-

T

-

P

-

G

I

I

T

D

S

D

M

V

D

I

I

F

E

S

I

A

H
|
H

T

C

H
|
H

N

N

D

D

F

L

G

G

M

V

A

A

T

T

A

A

N

N

A

T

L

I

A

A

A

G

V

I

R

C

A

A

G

G

A

A

T

R

H

Q

V

V

N

E

T

V

T

T

V

I

I

N

G

G

L

I

G

G

E

E

R

R

A

S

G

G

N

N

A

A

P

P

L

L

E

E

I

V

M

M

A

A

-

L

-

K

S

C

R

R

H

G

V

A

Y

F

G

V

M

M

D

G

A

V

F

Y

-

T

-

R

-

I

D

D

T

T

K

R

T

Q

M

I

R

M

S

A

L

T

S

S

E

K

Y

M

V

V

A

Q

Q

E

A

Y

A

T

G

G

R

L

N

Y

L

V

D

Q

P

P

Q

H

R

K

P

P

V

I

I

V

G

G

E

A

F

N

M

C

F

F

T

V

H

H

E

E

S
|
S

G
|
G

I
|
I

H

H

T

Q

D
|
D

G

G

V

I

L

L

K
|
K

N

N

P

R

K

S

N

T

Y

Y

E

E

A

I

F

I

D

S

P

P

A

E

E

D

L

V

N

G

M

V

Q

V

R

K

N

S

-

Q

-

N

-

S

-

G

L

I

V

V

F

L

G

G

N

K

Q
x
L

S

S

G

G

L
x
R

A
x
H

V

A

L

V

K

K

Y

G

I

R

L

L

E

K

Q

E

E

L

G

G

I

Y

V

E

L

I

E

S

S

D

Y

E

Q

K

L

L

T

N

G

E

L

V

L

F

H

S

E

R

A

F

K

R

K

D

L

L

A

T

R

K

K

Q

N

K

K

K

A

R

V

V

L

T

N

D

binding coenzyme a: Q30 (= Q13), F60 (≠ I43), S63 (≠ M46), I95 (≠ W69), R97 (= R71), F121 (≠ S91), K132 (= K102), L133 (= L103), S322 (= S282), G323 (= G283), I324 (= I284), D327 (= D287), K331 (= K291), L359 (≠ Q315), R362 (≠ L318), H363 (≠ A319)
binding 4-(methylsulfanyl)-2-oxobutanoic acid: P192 (≠ C161), T194 (= T163), H225 (= H190), H227 (= H192)
binding manganese (ii) ion: D27 (= D10), V82 (vs. gap), E84 (vs. gap), H225 (= H190), H227 (= H192)

3mi3A Homocitrate synthase lys4 bound to lysine (see paper)
32% identity, 92% coverage: 3:348/376 of query aligns to 14:351/370 of 3mi3A

query
sites
3mi3A

I

I

D

I

D

E

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q
|
Q

T

F

P

A

G

N

V

A

A

F

F

F

S

D

R

T

K

E

E

K

K

K

L

I

T

Q

I

I

V

A

K

K

H

A

L

L

D

D

A

N

I

F

G

G

V

V

Q

D

E

Y

I

I

E

E

A

L

G

T

I

S

P

P

V

V

M

A

G

S

L

E

A

Q

E

S

S

R

R

Q

M

D

F

C

E

E

S

A

I

I

M

C

E

K

L

L

G

G

L

L

D

K

A

C

R

K

I

I

I

L

A

T

W

H

N

I

R

R

A

C

L

H

I

M

G

D

D

D

V

A

Q

R

A

V

S

A

I

V

A

E

A

T

G

G

A

V

N

D

S

G

I

V

E

-

I

-

S

-

L

-

P

-

M

-

S

-

D
|
D

V

V

Q

V

I

I

N

G

T

T

K

S

L

M

N

T

K

-

T

-

R

-

G

-

W

Y

I

I

L

I

D

D

Q

S

V

A

K

T

S

E

V

V

L

I

D

N

F

F

C

V

A

K

N

S

H

K

D

G

L

I

Y

E

I

V

S

R

V

F

G

S

E

E

D

D

A

S

S

F

R

R

A

S

D

D

F

L

D

V

F

D

L

L

A

L

E

S

Y

L

I

Y

R

K

T

A

I

V

E

D

A

K

H

I

G

G

A

V

D

N

R

R

F

V

R

G

F

I

C

A

D

D

T
|
T

V

V

G

G

I

C

L

A

D

T

P

P

F

R

K

Q

T

V

Y

Y

E

D

L

L

T

I

A

R

K

T

I

L

R

R

E

G

I

V

T

V

S

S

M

C

D

D

I

I

E

E

I

C

H
|
H

T

F

H
|
H

N

N

D

D

F

T

G

G

M

M

A

A

T

I

A

A

N

N

A

A

L

Y

A

C

A

A

V

L

R

E

A

A

G

G

A

A

T

T

H

H

V

I

N

D

T

T

T

S

V

I

I

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

P

P

L

L

E

G

E

A

I

L

M

A

A

-

S

-

R

-

H

R

V

M

Y

Y

G

V

M

T

D

D

D

R

A

E

F

Y

D

I

T

T

-

H

-

K

-

Y

-

K

-

L

K

N

T

Q

M

L

R

R

S

E

L

L

S

E

E

N

Y

L

V

V

A

A

Q

D

A

A

A

V

G

E

R

V

N

Q

L

I

D

P

P

F

Q

N

R

N

P

Y

V

I

I

T

G

G

E

M

F

C

M

A

F

F

T

T

H

H

E

K

S

A

G

G

I

I

H

H

T

A

D

K

G

A

V

I

L

L

K

A

N

N

P

P

K

S

N

T

Y

Y

E

E

A

I

F

L

D

K

P

P

A

E

E

D

L

F

N

G

M

M

Q

S

R

R

N

Y

L

V

V

H

F

V

G

G

N

S

Q

R

-

L

S

T

G

G

L

W

A

N

V

A

L

I

K

K

Y

S

I

R

L

A

E

E

Q

Q

E

L

G

N

I

L

V

H

L

L

E

T

S

D

Y

A

Q

Q

L

A

T

K

G

E

L

L

L

T

H

V

E

R

A

I

K

K

L

L

A

A

active site: Q24 (= Q13)
binding lysine: R20 (= R9), D100 (= D96), T163 (= T163), H190 (= H190), H192 (= H192)
binding zinc ion: E21 (≠ D10), H190 (= H190), H192 (= H192)

Q9FG67 Methylthioalkylmalate synthase 1, chloroplastic; 2-isopropylmalate synthase 3; EC 2.3.3.17 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
32% identity, 93% coverage: 5:354/376 of query aligns to 89:465/506 of Q9FG67

query
sites
Q9FG67

D

D

T

T

L

L

R

R

D

D

G

G

E

E

Q

Q

T

S

P

P

G

G

V

G

A
x
S

F

L

S

T

R

P

K

P

E

Q

K

K

L

L

T

E

I

I

V

A

K

R

H

Q

L

L

D

A

A

K

I

L

G

R

V

V

Q

D

E

I

I

M

E

E

A

V

G

G

I

F

P

P

V

G

M

S

G

S

L

E

A

E

E

E

S

L

R

E

M

T

F

I

E

K

S

T

I

I

M

A

-

K

-

T

-

V

-

G

-

N

-

E

-

V

-

D

-

E

E

E

L

T

G

G

L

Y

D

V

A

P

R

V

I

I

I

C

A

A

W

I

N

A

R

R

A

C

L

K

I

H

G

R

D

D

V

I

Q

E

A

A

S

T

I

W

A

E

A

A

-

L

-

K

-

Y

-

A

G

K

A

R

N

P

S

R

I

I

E

L

I

V

S

F

L

T

P

S

M

T

S

S

D

D

V

I

Q

H

I

M

N

K

T

Y

K

K

L

L

N

K

K

K

T

T

R

Q

G

E

W

E

I

V

L

I

D

E

Q

M

V

A

K

V

S

S

V

S

L

I

D

R

F

F

C

A

A

K

N

S

H

L

D

G

L

F

Y

N

-

D

I

I

S

Q

V

F

G

G

G

C

E

E

D

D

A

G

S

G

R

R

A

S

D

D

F

K

D

D

F

F

L

L

A

C

E

K

Y

I

I

L

R

G

T

E

I

A

E

I

A

K

H

A

G

G

A

V

D

T

R

V

F

V

R

T

F

I

C

G

D

D

T

T

V

V

G

G

I

I

L

N

D

M

P

P

F

H

K

E

T

Y

Y

G

E

E

L

L

T

V

A

T

K

Y

I

L

R

K

E

A

-

N

-

T

-

P

-

G

I

I

T

D

S

D

M

V

D

V

I

V

E
x
A

I

V

H

H

T

C

H

H

N

N

D

D

F

L

G

G

M

L

A

A

T

T

A

A

N

N

A

S

L

I

A

A

A

G

V

I

R

R

A

A

G

G

A

A

T

R

H

Q

V

V

N

E

T

V

T

T

V

I

I

N

G

G

L

I

G

G

E

E

R

R

A

S

G

G

N

N

A

A

P

S

L

L

E

E

I

V

M

M

A

A

-

L

-

K

S

C

R

R

H

G

V

A

Y

Y

-

V

-

I

-

N

G

G

M

V

D

Y

D

T

A

K

F

I

D

D

T

T

K

R

T

Q

M

I

R

M

S

A

L

T

S

S

E

K

Y

M

V

V

A

Q

Q

E

A

Y

A

T

G

G

R

L

N

Y

L

V

D

Q

P

A

Q

H

R

K

P

P

V

I

I

V

G

G

E

A

F

N

M

C

F

F

T

V

H

H

E

E

S

S

G

G

I

I

H

H

T

Q

D

D

G

G

V

I

L

L

K

K

N

N

P

R

K

S

N

T

Y

Y

E

E

A

I

F

L

D

S

P

P

A

E

E

D

L

I

N

G

M

I

Q

V

R

K

N

S

-

Q

-

N

-

S

-

G

L

L

V

V

F

L

G

G

N

K

Q

L

S

S

G

G

L

R

A

H

V

A

L

V

K

K

Y

D

I

R

L

L

E

K

Q

E

E

L

G

G

I

Y

V

E

L

L

E

D

S

D

Y

E

Q

K

L

L

T

N

G

A

L

V

L

F

H

S

E

L

A

F

K

R

K

D

L

L

A

T

R

K

K

N

N

K

K

K

A

R

V

I

S102 (≠ A18) mutation to F: In gsm1-1; loss of conversion of C3 to C4 glucosinolates.
A290 (≠ E188) mutation to T: In gsm1-2; loss of conversion of C3 to C4 glucosinolates.

3ivsA Homocitrate synthase lys4 (see paper)
32% identity, 96% coverage: 3:364/376 of query aligns to 14:362/364 of 3ivsA

query
sites
3ivsA

I

I

D

I

D

E

T

S

T

T

L

L

R

R

D
x
E

G

G

E

E

Q
|
Q

T

F

P

A

G

N

V

A

A

F

F

F

S

D

R

T

K

E

E

K

K

K

L

I

T

Q

I

I

V

A

K

K

H

A

L

L

D

D

A

N

I

F

G

G

V

V

Q

D

E

Y

I

I

E

E

A

L

G

T

I

S

P

P

V

V

M

A

G

S

L

E

A

Q

E

S

S

R

R

Q

M

D

F

C

E

E

S

A

I

I

M

C

E

K

L

L

G

G

L

L

D

K

A

C

R

K

I

I

I

L

A

T

W

H

N

I

R

R

A

C

L

H

I

M

G

D

D

D

V

A

Q

R

A

V

S

A

I

V

A

E

A

T

G

G

A

V

N

D

S

G

I

V

E

-

I

-

S

-

L

-

P

-

M

-

S

-

D

D

V

V

Q

V

I

I

N

G

T

T

K

T

L

-

N

-

K

-

T

-

R

-

G

-

W

Y

I

I

L

I

D

D

Q

S

V

A

K

T

S

E

V

V

L

I

D

N

F

F

C

V

A

K

N

S

H

K

D

G

L

I

Y

E

I

V

S

R

V

F

G

S

E

E

D

D

A

S

S

F

R

R

A

S

D

D

F

L

D

V

F

D

L

L

A

L

E

S

Y

L

I

Y

R

K

T

A

I

V

E

D

A

K

H

I

G

G

A

V

D

N

R

R

F

V

R

G

F

I

C

A

D

D

T

T

V

V

G

G

I

C

L

A

D

T

P

P

F

R

K

Q

T

V

Y

Y

E

D

L

L

T

I

A

R

K

T

I

L

R

R

E

G

I

V

T

V

S

S

M

C

D

D

I

I

E

E

I

C

H
|
H

T

F

H
|
H

N

N

D

D

F

T

G

G

M

M

A

A

T

I

A

A

N

N

A

A

L

Y

A

C

A

A

V

L

R

E

A

A

G

G

A

A

T

T

H

H

V

I

N

D

T

T

T

S

V

I

I

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

P

P

L

L

E

G

E

A

I

L

M

A

A

-

S

-

R

-

H

R

V

M

Y

Y

G

V

M

T

D

D

D

R

A

E

F

Y

D

I

T

T

-

H

-

K

-

Y

-

K

-

L

K

N

T

Q

M

L

R

R

S

E

L

L

S

E

E

N

Y

L

V

V

A

A

Q

D

A

A

A

V

G

E

R

V

N

Q

L

I

D

P

P

F

Q

N

R

N

P

Y

V

I

I

T

G

G

E

M

F

C

M

A

F

F

T

T

H

H

E

K

S

A

G

G

I

I

H

H

T

A

D

K

G

A

V

I

L

L

K

A

N

N

P

P

K

S

N

T

Y

Y

E

E

A

I

F

L

D

K

P

P

A

E

E

D

L

F

N

G

M

M

Q

S

R

R

N

Y

L

V

V

H

F

V

G

G

N

S

Q

R

-

L

S

T

G

G

L

W

A

N

V

A

L

I

K

K

Y

S

I

R

L

A

E

E

Q

Q

E

L

G

N

I

L

V

H

L

L

E

Q

S

A

Y

K

Q

E

L

L

T

T

G

V

L

R

L

I

H

-

E

-

A

-

K

K

L

L

A

A

R

V

K

R

N

T

K

L

A

A

V

M

L

D

N

D

K

V

A

D

Q

R

V

V

I

L

G

R

L

E

Y

Y

active site: Q24 (= Q13)
binding cobalt (ii) ion: E21 (≠ D10), H188 (= H190), H190 (= H192)

Q9FN52 Methylthioalkylmalate synthase 3, chloroplastic; 2-isopropylmalate synthase 2; Methylthioalkylmalate synthase-like; EC 2.3.3.17 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
31% identity, 94% coverage: 5:356/376 of query aligns to 89:467/503 of Q9FN52

query
sites
Q9FN52

D

D

T

T

L

L

R

R

D

D

G

G

E

E

Q

Q

T

S

P

P

G

G

V

A

A

A

F

L

S

T

R

P

K

P

E

Q

K

K

L

L

T

E

I

I

V

A

K

R

H

Q

L

L

D

A

A

K

I

L

G

R

V

V

Q

D

E

I

I

M

E

E

A

V

G

G

I

F

P

P

V

V

M

S

G

S

L

E

A

E

E

E

S

F

R

E

M

A

F

I

E

K

S

T

I

I

M

A

-

K

-

T

-

V

-

G

-

N

-

E

-

V

-

D

-

E

E

E

L

T

G

G

L

Y

D

V

A

P

R

V

I

I

I

C

A

G

W

I

N

A

R

R

A

C

L

K

I

K

G

R

D

D

V

I

Q

E

A

A

S

T

I

W

A

E

A

A

-

L

-

K

-

Y

-

A

G

K

A

R

N

P

S

R

I

V

E

M

I

L

S

F

L

T

P

S

M

T

S

S

D

E

V

I

Q

H

I

M

N

K

T

Y

K

K

L

L

N

K

K

K

T

T

R

K

G

E

W

E

I

V

L

I

D

E

Q

M

V

A

K

V

S

N

V

S

L

V

D

K

F

Y

C

A

A

K

N

S

H

L

D

G

L

F

Y

K

-

D

I

I

S

Q

V

F

G

G

G

C

E

E

D

D

A

G

S

G

R

R

A

T

D

E

F

K

D

D

F

F

L

I

A

C

E

K

Y

I

I

L

R

G

T

E

I

S

E

I

A

K

H

A

G

G

A

A

D

T

R

T

F

V

R

G

F

F

C

A

D

D

T

T

V

V

G
|
G

I

I

L

N

D

M

P

P

F

Q

K

E

T

F

Y

G

E

E

L

L

T

V

A

A

K

Y

I

V

R

I

E

E

I

N

T

T

S

P

-

G

-

A

-

D

M

I

D

V

I

F

E

A

I

I

H

H

T

C

H

H

N

N

D

D

F

L

G

G

M

V

A

A

T

T

A

A

N

N

A

T

L

I

A

S

A

G

V

I

R

C

A

A

G

G

A

A

T

R

H

Q

V

V

N

E

T

V

T

T

V

I

I

N

G

G

L

I

G

G

E

E

R

R

A

S

G

G

N

N

A

A

P

P

L

L

E

E

I

V

M

M

A

A

-

L

-

K

S

C

R

R

H

G

V

E

Y

S

G

L

M

M

D

D

D

G

A

V

F

Y

-

T

-

K

-

I

D

D

T

S

K

R

T

Q

M

I

R

M

S

A

L

T

S

S

E

K

Y

M

V

V

A

Q

Q

E

A

H

A

T

G

G

R

M

N

Y

L

V

D

Q

P

P

Q

H

R

K

P

P

V

I

I

V

G

G

E

D

F

N

M

C

F

F

T

V

H

H

E

E

S

S

G

G

I

I

H

H

T

Q

D

D

G

G

V

I

L

L

K

K

N

N

P

R

K

S

N

T

Y

Y

E

E

A

I

F

L

D

S

P

P

A

E

E

D

L

V

N

G

M

I

Q

V

R

K

N

S

-

E

-

N

-

S

-

G

L

I

V

V

F

L

G

G

N

K

Q

L

S

S

G

G

L

R

A

H

V

A

L

V

K

K

Y

D

I

R

L

L

E

K

Q

E

E

L

G

G

I

Y

V

E

L

I

E

S

S

D

Y

E

Q

K

L

F

T

N

G

D

L

I

L

F

H

S

E

R

A

Y

K

R

K

E

L

L

A

T

R

K

K

D

N

K

K

K

A

R

V

I

L

T

N

D

G263 (= G165) mutation to E: In gsm2-1; loss of activity and lack of C6, C7 and C8 aliphatic glucosinolates.

3rmjB Crystal structure of truncated alpha-isopropylmalate synthase from neisseria meningitidis (see paper)
33% identity, 75% coverage: 1:282/376 of query aligns to 4:296/308 of 3rmjB

query
sites
3rmjB

M

V

I

I

D

F

D

D

T

T

L

L

R

R

D
|
D

G

G

E

E

Q
|
Q

T

S

P

P

G

G

V

A

A

A

F

M

S

T

R

K

K

E

E

E

K

K

L

I

T

R

I

V

V

A

K

R

H

Q

L

L

D

E

A

K

I

L

G

G

V

V

Q

D

E

I

I

I

E

E

A

A

G

G

I

F

P

A

V

A

M

A

G

S

L

P

A

G

E

D

S

F

R

E

M

A

F

V

E

N

S

A

I

I

M

A

E

K

L

T

G

I

L

T

D

K

A

S

R

T

I

V

I

C

A

S

W

L

N

S

R

R

A

A

L

I

I

E

G

R

D

D

V

I

-

R

-

Q

-

A

-

G

Q

E

A

A

S

V

I

A

A

P

A

A

G

P

A

K

N

K

S

R

I

I

E

H

I

T

S

F

L

I

P

A

M

T

S

S

D

P

V

I

Q

H

I

M

N

E

T

Y

K

K

L

L

N

K

K

M

T

K

R

P

G

K

W

Q

I

V

L

I

D

E

Q

A

V

A

K

V

S

K

V

A

L

V

D

K

F

I

C

A

A

R

N

E

H

Y

D

T

L

D

Y

D

I

V

S

E

V

F

G

S

G

C

E

E

D

D

A

A

S

L

R

R

A

S

D

E

F

I

D

D

F

F

L

L

A

A

E

E

Y

I

I

C

R

G

T

A

I

V

E

I

A

E

H

A

G

G

A

A

D

T

R

T

F

I

R

N

F

I

C

P

D

D

T

T

V

V

G

G

I

Y

L

S

D

I

P

P

F

Y

K

K

T

T

-

E

-

F

Y

R

E

E

L

L

T

I

A

A

K

K

I

T

R

P

E

N

I

G

T

G

S

K

M

V

D

V

I

W

E

S

I

A

H
|
H

T

C

H
|
H

N

N

D

D

F

L

G

G

M

L

A

A

T

V

A

A

N

N

A

S

L

L

A

A

V

L

R

K

A

G

G

G

A

A

T

R

H

Q

V

V

N

E

T

C

T

T

V

V

I

N

G

G

L

L

G

G

E

E

R

R

A

A

G

G

N
|
N

A

A

P

S

L

V

E

E

I

I

I

V

M

M

A

A

-

L

-

K

S

V

R

R

H

H

-

D

V

L

Y

F

G

G

M

L

D

E

D

T

A

G

F

I

D

D

T

T

K

T

T

Q

M

I

R

V

S

P

L

S

S

S

E

K

Y

L

V

V

A

S

Q

T

A

I

A

T

G

G

R

Y

N

P

L

V

D

Q

P

P

Q

N

R

K

P

A

V

I

I

V

G

G

E

A

F

N

M

A

F

F

T

S

H

H

E

E

S

T

active site: Q16 (= Q13)
binding manganese (ii) ion: D13 (= D10), H201 (= H190), H203 (= H192), N237 (= N226)

O87198 Homocitrate synthase; HCS; EC 2.3.3.14 from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see paper)
29% identity, 94% coverage: 3:357/376 of query aligns to 6:365/376 of O87198

query
sites
O87198

I

I

D

I

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q

Q

T

F

P

E

G

K

V

A

A

N

F

F

S

S

R

T

K

Q

E

D

K

K

L

V

T

E

I

I

V

A

K

K

H

A

L

L

D

D

A

E

I

F

G

G

V

I

Q

E

E

Y

I

I

E

E

A

V

G

T

I

T

P

P

V

V

M

A

G

S

L

P

A

Q

E

S

S

R

R

K

M

D

F

A

E

E

S

V

I

L

M

A

E

S

L

L

G

G

L

L

D

K

A

A

R

K

I

V

A

T

W
x
H

N

I

R

Q

A

C

L

R

I

L

G

D

D

A

V

A

Q

K

A

V

S

A

I

V

A

E

A

T

G

G

A

V

N

Q

S

G

I

I

E
x
D

I

L

S

L

L

F

P

G

M

T

S

S

D

K

V

Y

Q

-

I

L

N

R

T

A

K

A

L

H

N

G

K

R

T

D

R

I

G

P

W

R

I

I

L

I

D

E

Q

E

V

A

K

K

S

E

V

V

L

I

D

A

F

Y

C

I

A

R

N

E

H

A

D

A

L

P

Y

H

I

V

S

E

V

V

-
x
R

-

F

G
x
S

G

A

E

E

D

D

A

T

S

F

R

R

A

S

D

E

-

E

F

Q

D

D

F

L

L

L

A

A

E

V

Y

Y

I

E

R

A

T

V

I

-

E

-

A

A

H

P

G

Y

A

V

D

D

R

R

F

V

R

G

F

L

C

A

D

D

T
|
T

V

V

G

G

I

V

L

A

D

T

P

P

F

R

K

Q

T

V

Y

Y

E

A

L

L

T

V

A

R

K

E

I

V

R

R

E

R

I

V

T

V

S

G

-

P

-

R

M

V

D

D

I

I

E

E

I

F

H
|
H

T

G

H
|
H

N

N

D

D

F

T

G

G

M

C

A

A

T

I

A

A

N

N

A

A

L

Y

A

E

A

A

V

I

R

E

A

A

G

G

A

A

T

T

H

H

V

V

N

D

T

T

V

I

I

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

P

P

L

L

E

G

I

F

I

L

-

A

-

R

M

M

A

Y

S

T

R

L

H

Q

V

P

Y

E

G

Y

M

V

D

R

A

K

F

Y

D

K

T

L

K

E

T

M

M

L

R

P

S

E

L

L

S

D

E

R

Y

M

V

V

A

A

Q

R

A

M

A

V

G

G

R

V

N

E

L

I

D

P

P

F

Q

N

R

N

P

Y

V

I

I

T

G

G

E

E

F

T

M

A

F

F

T

S

H

H

E

K

S

A

G

G

I

M

H

H

T

L

D

K

G

A

V

I

L

Y

K

I

N

N

P

P

K

E

N

A

Y

Y

E

E

A

P

F

Y

D

P

P

P

A

E

E

V

L

F

N

G

M

V

Q

K

R

R

N

K

L

L

V

I

F

I

G

A

N

S

Q

R

-

L

S

T

G

G

L

R

A

H

V

A

L

I

K

K

Y

A

I

R

L

A

E

E

Q

E

E

L

G

G

I

L

V

H

L

Y

E

G

S

E

Y

E

Q

E

L

L

T

H

G

R

L

V

L

T

H

Q

E

H

A

I

K

K

K

A

L

L

A

A

R

D

K

R

N

G

K

Q

A

L

V

T

L

L

N

E

K

E

R12 (= R9) binding 2-oxoglutarate
E13 (≠ D10) binding Mg(2+)
H72 (≠ W69) binding 2-oxoglutarate; mutation to L: Significant decrease in sensitivity to lysine inhibition. Large decrease in affinity for 2-oxoglutarate. Almost no effect on affinity for acetyl-CoA and on turnover number.
D92 (≠ E89) binding L-lysine
R133 (vs. gap) binding 2-oxoglutarate
S135 (≠ G131) binding L-lysine
T166 (= T163) binding 2-oxoglutarate; binding L-lysine
H195 (= H190) binding Mg(2+)
H197 (= H192) binding Mg(2+)

2zyfA Crystal structure of homocitrate synthase from thermus thermophilus complexed with magnesuim ion and alpha-ketoglutarate (see paper)
31% identity, 83% coverage: 3:313/376 of query aligns to 6:314/314 of 2zyfA

query
sites
2zyfA

I

I

D

I

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q
|
Q

T

F

P

E

G

K

V

A

A

N

F

F

S

S

R

T

K

Q

E

D

K

K

L

V

T

E

I

I

V

A

K

K

H

A

L

L

D

D

A

E

I

F

G

G

V

I

Q

E

E

Y

I

I

E

E

A

V

G

T

I

T

P

P

V

V

M

A

G

S

L

P

A

Q

E

S

S

R

R

K

M

D

F

A

E

E

S

V

I

L

M

A

E

S

L

L

G

G

L

L

D

K

A

A

R

K

I

V

A

T

W

-

N

-

R

-

A

-

L

-

I

-

G

-

D
x
H

V

I

Q

Q

A

C

S

R

I

L

A

D

A

A

G

A

A

K

N

V

S

A

I

V

E

E

I

T

S

G

L

V

P

Q

M

G

S

I

D

D

V

L

Q
x
L

I

F

N

G

T

T

K

S

L

K

N

G

K

R

T

D

R

I

G

P

W

R

I

I

L

I

D

E

Q

E

V

A

K

K

S

E

V

V

L

I

D

A

F

Y

C

I

A

R

N

E

H

A

D

A

L

P

Y

H

I

V

S

E

V

V

-
x
R

-

F

G

S

G

A

E

E

D

D

A

T

S

F

R

R

A

S

D

E

-

E

F

Q

D

D

F

L

L

L

A

A

E

V

Y

Y

I

E

R

A

T

V

I

-

E

-

A

A

H

P

G

Y

A

V

D

D

R

R

F

V

R

G

F

L

C

A

D

D

T
|
T

V

V

G

G

I

V

L

A

D

T

P

P

F

R

K

Q

T

V

Y

Y

E

A

L

L

T

V

A

R

K

E

I

V

R

R

E

R

I

V

T

V

S

G

-

P

-

R

M

V

D

D

I

I

E

E

I

F

H
|
H

T

G

H
|
H

N

N

D

D

F

T

G

G

M

C

A

A

T

I

A

A

N

N

A

A

L

Y

A

E

A

A

V

I

R

E

A

A

G

G

A

A

T

T

H

H

V

V

N

D

T

T

V

I

I

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

P

P

L

L

E

G

I

F

I

L

-

A

-

R

M

M

A

Y

S

T

R

L

H

Q

V

P

Y

E

G

Y

M

V

D

R

A

K

F

Y

D

K

T

L

K

E

T

M

M

L

R

P

S

E

L

L

S

D

E

R

Y

M

V

V

A

A

Q

R

A

M

A

V

G

G

R

V

N

E

L

I

D

P

P

F

Q

N

R

N

P

Y

V

I

I

T

G

G

E

E

F

T

M

A

F

F

T

S

H

H

E

K

S

A

G

G

I

M

H

H

T

L

D

K

G

A

V

I

L

Y

K

I

N

N

P

P

K

E

N

A

Y

Y

E

E

A

P

F

Y

D

P

P

P

A

E

E

V

L

F

N

G

M

V

Q

K

R

R

N

K

L

L

V

I

F

I

G

A

active site: Q16 (= Q13)
binding 2-oxoglutaric acid: R12 (= R9), H72 (≠ D76), L94 (≠ Q98), R127 (vs. gap), T160 (= T163), H189 (= H190)
binding magnesium ion: E13 (≠ D10), H189 (= H190), H191 (= H192)

2ztjA Crystal structure of homocitrate synthase from thermus thermophilus complexed with alpha-ketoglutarate (see paper)
31% identity, 83% coverage: 3:313/376 of query aligns to 6:312/312 of 2ztjA

query
sites
2ztjA

I

I

D

I

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q
|
Q

T

F

P

E

G

K

V

A

A

N

F

F

S

S

R

T

K

Q

E

D

K

K

L

V

T

E

I

I

V

A

K

K

H

A

L

L

D

D

A

E

I

F

G

G

V

I

Q

E

E

Y

I

I

E

E

A

V

G

T

I

T

P

P

V

V

M

A

G

S

L

P

A

Q

E

S

S

R

R

K

M

D

F

A

E

E

S

V

I

L

M

A

E

S

L

L

G

G

L

L

D

K

A

A

R

K

I

V

A

T

W

-

N

-

R

-

A

-

L

-

I

-

G

-

D
x
H

V

I

Q

Q

A

C

S

R

I

L

A

D

A

A

G

A

A

K

N

V

S

A

I

V

E

E

I

T

S

G

L

V

P

Q

M

G

S

I

D

D

V

L

Q
x
L

I

F

N

G

T

T

K

G

L

R

N

D

K

I

T

P

R

R

G

-

W

-

I

I

L

I

D

E

Q

E

V

A

K

K

S

E

V

V

L

I

D

A

F

Y

C

I

A

R

N

E

H

A

D

A

L

P

Y

H

I

V

S

E

V

V

-
x
R

-

F

G

S

G

A

E

E

D

D

A

T

S

F

R

R

A

S

D

E

-

E

F

Q

D

D

F

L

L

L

A

A

E

V

Y

Y

I

E

R

A

T

V

I

-

E

-

A

A

H

P

G

Y

A

V

D

D

R

R

F

V

R

G

F

L

C
x
A

D

D

T
|
T

V

V

G

G

I

V

L

A

D

T

P

P

F

R

K

Q

T

V

Y

Y

E

A

L

L

T

V

A

R

K

E

I

V

R

R

E

R

I

V

T

V

S

G

-

P

-

R

M

V

D

D

I

I

E

E

I

F

H
|
H

T

G

H
|
H

N

N

D

D

F

T

G

G

M

C

A

A

T

I

A

A

N

N

A

A

L

Y

A

E

A

A

V

I

R

E

A

A

G

G

A

A

T

T

H

H

V

V

N

D

T

T

V

I

I

L

G

G

L

I

G

G

E

E

R

R

A

N

G

G

N

I

A

T

P

P

L

L

E

G

I

F

I

L

-

A

-

R

M

M

A

Y

S

T

R

L

H

Q

V

P

Y

E

G

Y

M

V

D

R

A

K

F

Y

D

K

T

L

K

E

T

M

M

L

R

P

S

E

L

L

S

D

E

R

Y

M

V

V

A

A

Q

R

A

M

A

V

G

G

R

V

N

E

L

I

D

P

P

F

Q

N

R

N

P

Y

V

I

I

T

G

G

E

E

F

T

M

A

F

F

T

S

H

H

E

K

S

A

G

G

I

M

H

H

T

L

D

K

G

A

V

I

L

Y