SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012384894.1 NCBI__GCF_000019845.1:WP_012384894.1 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)
31% identity, 68% coverage: 13:375/536 of query aligns to 24:370/399 of 6ktqA

query
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6ktqA

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binding 2-oxoglutaric acid: R30 (= R19), R154 (≠ L146), T156 (≠ D148), E158 (= E150), S184 (≠ V179), T188 (= T183), H216 (= H211), H218 (= H213)
binding coenzyme a: V67 (≠ A56), R96 (= R86), A97 (≠ S87), F116 (≠ T106), H128 (≠ L120), E158 (= E150)
binding zinc ion: E31 (≠ D20), H216 (= H211), H218 (= H213)

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)
30% identity, 83% coverage: 11:455/536 of query aligns to 7:435/517 of Q9JZG1

query
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Q9JZG1

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D16 (= D20) binding Mn(2+)
H204 (= H211) binding Mn(2+)
H206 (= H213) binding Mn(2+)
N240 (= N247) binding Mn(2+)

Sites not aligning to the query:

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

Q9FG67 Methylthioalkylmalate synthase 1, chloroplastic; 2-isopropylmalate synthase 3; EC 2.3.3.17 from Arabidopsis thaliana (Mouse-ear cress) (see paper)
28% identity, 65% coverage: 13:361/536 of query aligns to 87:444/506 of Q9FG67

query
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Q9FG67

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S102 (≠ D28) mutation to F: In gsm1-1; loss of conversion of C3 to C4 glucosinolates.
A290 (≠ G209) mutation to T: In gsm1-2; loss of conversion of C3 to C4 glucosinolates.

Q8F3Q1 (R)-citramalate synthase CimA; LiCMS; EC 2.3.3.21 from Leptospira interrogans serogroup Icterohaemorrhagiae serovar Lai (strain 56601) (see 2 papers)
26% identity, 95% coverage: 11:521/536 of query aligns to 8:502/516 of Q8F3Q1

query
sites
Q8F3Q1

L

L

T

E

L

I

F

L

D

D

T

V

T

T

L

L

R
|
R

D
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D

G

G

A

E

Q

Q

T

T

M

R

G

G

V

V

D

S

F

F

S

S

L

T

A

S

D

E

K

K

T

L

R

N

I

I

A

A

A

K

-

F

L

L

D

Q

D

K

L

L

G

N

I

V

D

D

Y

R

I

V

E

E

-

I

-

A

G

S

G

A

Y

R

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G

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A

K

N

G

P

E

L

L

D

E

T

T

-

V

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Q

-

K

-

I

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M

D

E

F

W

F

A

A

A

K

T

R

E

P

Q

P

L

L

T

R

E

Q

R

A

I

R

E

F

I

T
x
L

A

G

F
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F

G

-

M

-

T

-

K

-

R

-

A

-

G

-

R

-

S

-

A

V

E

D

N

G

D

N

P

K

G

T

I

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A

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G

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L

I

L

K

S

D

A

S

D

G

A

A

Q

K

A

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I

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N

F

L

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x
L

A

T

K

K

S

G

W

S

D

L

Y

H

Q

H

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L

H

E

V

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A

Q

L

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P

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K

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F

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A

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K

A

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x
Y

C

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E
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E

H

D

F

W

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D

N

G

G

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F

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A

N

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C

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T

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S

I

A

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H

H

A

G

H

H

N

N

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D

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Y

E

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M

L

A

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V

A

A

N

N

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S

L

L

A

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A

A

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R

G

A

G

G

A

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R

K

Q

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H

G

A

T

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L

I

N

N

G

G

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L

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A

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L

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H

A

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x
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A

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M

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K

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x
N

K
x
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Y

Y

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N

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x
Y

N
x
D

A

A

L

F

D

M

L

N

A

A

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K

K

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Y

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x
I

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T
x
V

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L

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L

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A

A

R16 (= R19) mutation R->K,Q: Loss of activity.
RD 16:17 (= RD 19:20) binding pyruvate
D17 (= D20) mutation to A: 34-fold increase in Km for pyruvate and 315-fold decrease in kcat.; mutation to N: 4.4-fold increase in Km for pyruvate and 480-fold decrease in kcat.
L81 (≠ T76) mutation to A: 4.7-fold increase in Km for pyruvate and 15.7-fold decrease in kcat.; mutation to V: 3.3-fold increase in Km for pyruvate and 10.1-fold decrease in kcat.
F83 (= F78) mutation to A: 5-fold increase in Km for acetyl-CoA and 120-fold decrease in kcat.
L104 (≠ V108) mutation to V: 1.8-fold increase in Km for pyruvate and 3.4-fold decrease in kcat.
Y144 (≠ D148) binding pyruvate; mutation to L: 259-fold increase in Km for pyruvate and 76-fold decrease in kcat.; mutation to V: 114-fold increase in Km for pyruvate and 5.3-fold decrease in kcat.
E146 (= E150) mutation E->D,Q: Minor effects on the binding of acetyl-CoA, but causes a strong decrease in kcat.
T179 (= T183) binding pyruvate; mutation to A: 16.4-fold increase in Km for pyruvate and 186-fold decrease in kcat.
H302 (= H313) mutation H->A,N: Loss of activity.
D304 (≠ S315) mutation to A: 5.2-fold increase in Km for acetyl-CoA and 16.6-fold decrease in kcat.
N310 (≠ P321) mutation to A: 2.2-fold increase in Km for acetyl-CoA and 1.7-fold decrease in kcat.
L311 (≠ K322) mutation to A: 8-fold increase in Km for acetyl-CoA and 6-fold decrease in kcat.
Y312 (≠ T323) mutation to A: Loss of activity.
Y430 (≠ V452) mutation to L: No change in Km for acetyl-CoA and 2.3-fold decrease in kcat. Severely impairs inhibition by isoleucine.
D431 (≠ N453) mutation to A: 1.8-fold decrease in Km for acetyl-CoA and 5-fold decrease in kcat.
L451 (= L475) mutation to V: 1.5-fold increase in Km for acetyl-CoA and 4.3 decrease in kcat.
Y454 (= Y478) mutation to A: 1.4 decrease in Km for acetyl-CoA and 17-fold decrease in kcat. Still inhibited by isoleucine and weakly inhibited by leucine.
I458 (≠ V482) mutation to A: 1.3-fold decrease in Km for acetyl-CoA and 14-fold decrease in kcat. Abolishes inhibition by isoleucine.
T464 (= T487) mutation to A: 1.8-fold decrease in Km for acetyl-CoA and 4.3-fold decrease in kcat.
V468 (≠ T491) mutation to A: No change in Km for acetyl-CoA and 2-fold decrease in kcat. Increases inhibition by isoleucine and leucine becomes an effective inhibitor.
P493 (≠ S512) mutation to A: 1.5-fold decrease in Km for acetyl-CoA and 2.6-fold decrease in kcat.
Q495 (≠ I514) mutation to A: 1.6-fold decrease in Km for acetyl-CoA and 2.8-fold decrease in kcat.

6e1jA Crystal structure of methylthioalkylmalate synthase (bjumam1.1) from brassica juncea (see paper)
30% identity, 68% coverage: 13:378/536 of query aligns to 20:396/409 of 6e1jA

query
sites
6e1jA

L

V

F

F

D

D

T

T

L

L

R

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D
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D

G

G

A

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Q
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A

A

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L

L

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A

D

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L

L

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D

Y

I

I

M

E

E

G

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G

G

Y
x
F

P

P

G

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A
x
S

N

S

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E

L

E

D

E

T

F

D

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F

T

F

I

-

Q

-

T

-

I

A

A

K

K

R

T

P

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P

G

L

N

R

E

Q
x
V

A

D

R
x
E

F

E

T

T

A

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Y

-

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G

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A
x
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R

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A

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K

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A

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W

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A

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A

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x
F

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x
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x
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T

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H

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H
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H

N

N

D

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A

A

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A

A

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N

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A

A

A

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C

G

A

G

G

A

A

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L

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N

N

G

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x
L

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x
H

N

A

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D

A

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K

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-

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K

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Q

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K

binding coenzyme a: Q30 (= Q23), F60 (≠ Y53), S63 (≠ A56), I95 (≠ A84), R97 (= R86), F121 (≠ V108), K132 (≠ A119), L133 (= L120), S322 (≠ A310), G323 (= G311), I324 (= I312), D327 (≠ S315), K331 (= K319), L359 (≠ Q343), R362 (≠ K346), H363 (≠ S347)
binding 4-(methylsulfanyl)-2-oxobutanoic acid: P192 (≠ C181), T194 (= T183), H225 (= H211), H227 (= H213)
binding manganese (ii) ion: D27 (= D20), V82 (≠ Q72), E84 (≠ R74), H225 (= H211), H227 (= H213)

3rmjB Crystal structure of truncated alpha-isopropylmalate synthase from neisseria meningitidis (see paper)
32% identity, 60% coverage: 11:333/536 of query aligns to 4:306/308 of 3rmjB

query
sites
3rmjB

L

V

T

I

L

I

F

F

D

D

T

T

L

L

R

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D

G

G

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L

L

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L

L

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F

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A

G

A

A

A

N

S

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L

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D

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F

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A

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K

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F

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Q

A

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N

F

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A

A

F

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M

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A

T

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A

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A

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A

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L

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C

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D

D

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A

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F

A

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L

A

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E

C

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A

C

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I

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A

A

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G

A

A

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T

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A

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P

G

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S

G

A

G

L

K

G

V

I

V

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A

H
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H

A

C

H
|
H

N

N

D

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E

G

M

L

A

A

V

V

A

A

N

N

S

S

L

L

A

A

V

L

R

K

G

G

A

A

R

R

Q

Q

I

V

Q

E

G

C

T

T

L

V

N

N

G

G

L

L

G

G

E

E

R

R

C

A

G

G

N
|
N

A

A

N

S

L

V

V

E

S

E

L

I

I

V

P

M

T

A

L

L

L

K

L

V

K

R

E

H

P

D

Y

L

A

-

H

-

K

-

F

F

K

G

L

L

N

E

V

T

A

G

I

I

E

D

T

T

L

T

P

Q

L

I

L

V

-

P

-

S

T

S

K

K

I

L

S

V

H

S

T

T

L

I

D

T

E

G

L

Y

L

P

N

V

R

Q

S

-

P

P

N

N

R

K

H

-

A

-

P

A

Y

I

V

V

G

G

A

A

S

N

A

A

F

F

A

S

T

H

K

-

A

-

G

-

I

-

H

-

A

-

S

-

A

-

L

-

M

-

K

-

E

-

P

-

K

E

T

T

Y

Y

E

E

H

I

V

M

P

S

P

A

E

E

S

S

V

V

G

G

active site: Q16 (= Q23)
binding manganese (ii) ion: D13 (= D20), H201 (= H211), H203 (= H213), N237 (= N247)

4ov9A Structure of isopropylmalate synthase binding with alpha- isopropylmalate (see paper)
30% identity, 65% coverage: 15:360/536 of query aligns to 8:347/380 of 4ov9A

query
sites
4ov9A

D

D

T

V

T

T

L

L

R
|
R

D
|
D

G

G

A

N

Q
|
Q

T

A

M

L

G

K

V

R

D

P

F

W

S

T

L

I

A

D

D

E

K

K

T

I

R

E

I

V

A

F

A

D

L

L

D

V

D

E

L

L

G

N

I

V

D

D

Y

G

I

I

E

E

G

V

G

G

Y

F

P

P

G

S

A

S

N

N

P

-

L

-

D

E

T

T

D

E

F

F

-

H

-

T

-

C

-

Q

-

V

F

L

A

S

K

K

R

R

P

A

P

P

L

-

R

K

Q

G

A

K

R

P

F

I

T

A

A

A

F
x
L

G

S

M

-

T

-

K

-

R

-

A

-

G

-

R

R

S

A

A

N

E

Q

N

N

D

E

P

I

G

A

I

V

A

T

-

W

-

E

G

A

L

I

L

Q

S

K

A

A

D

D

A

C

Q

P

A

R

I

M

T

H

F

I

V

V

A

Y

K

P

S

V

W

S

D

D

Y

F

Q

S

V

I

H

K

V

H

A

V

L

L

G

K

C

I

T

S

L

E

E

K

E

E

N

V

L

L

D

Q

G

K

I

I

T

R

Q

N

S

S

I

I

A

S

A

F

A

A

-

R

-

S

-

I

V

V

K

G

A

P

G

G

R

I

E

E

A

I

L

Q

L

F

D

S

C

G

E

E

H

H

F

F

F

G

D

D

G

A

Y

I

K

E

A

-

N

N

P

F

A

A

Y

F

A

T

L

K

E

E

C

A

A

F

K

L

T

T

A

A

Y

I

A

E

A

A

G

G

A

A

R

N

W

I

V

I

V

N

L

L

C

P

D

N

T
|
T

N

V

G

E

G

R

T

Y

L

R

P

P

H

M

E

V

I

F

E

V

E

N

I

M

V

V

R

K

A

E

V

I

S

K

E

D

H

V

V

V

P

K

G

D

S

K

A

A

L

I

-

I

G

S

I

I

H
|
H

A

T

H
|
H

N

N

D

D

T

L

E

G

M

M

A

A

V

T

A

A

N

T

S

S

L

V

A

E

A

S

V

V

R

Y

G

V

G

G

A

A

R

E

Q

Q

I

I

Q

E

G

V

T

A

L

L

N

N

G

G

L

L

G

G

E

E

R

R

C

A

G

G

N

N

A

T

N

N

L

L

V

Y

S

E

L

T

I

A

P

I

T

A

L

L

L

-

K

-

E

-

P

-

Y

H

A

Q

H

N

K

G

F

E

K

N

L

L

N

N

V

I

A

N

I

F

E

Q

T

R

L

I

-

Y

P

P

L

T

L

A

T

K

K

R

I

I

S

S

H

-

T

-

L

-

D

-

E

E

L

L

L

T

N

G

R

I

S

P

P

I

N

G

R

E

H

K

A

T

P

P

Y

I

V

I

G

G

A

E

S

D

A

I

F

F

A

S

T

H

K

R

A

S

G

G

I

I

H

H

A

Q

S

T

A

-

L

L

M

H

K

Q

E

S

P

K

K

G

T

A

Y

Y

E

R

H

T

V

F

P

S

P

P

E

E

S

F

V

V

G

G

-

R

-

M

N

D

K

K

R

E

R

T

L

I

L

S

V

F

S

T

D

N

Q

Q

A

S

G

G

K

H

S

K

N

A

I

I

L

E

A

F

E

L

L

L

Q

H

R

Q

I

R

G

G

V

I

S

Q

V

V

active site: Q16 (= Q23)
binding (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid: R12 (= R19), L73 (≠ F78), T176 (= T183), H205 (= H211), H207 (= H213)
binding zinc ion: D13 (= D20), H205 (= H211), H207 (= H213)

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)
28% identity, 60% coverage: 13:333/536 of query aligns to 87:412/503 of Q9FN52

query
sites
Q9FN52

L

V

F

L

D

D

T

T

L

L

R

R

D

D

G

G

A

E

Q

Q

T

S

M

P

G

G

V

A

D

A

F

L

S

T

L

P

A

P

D

Q

K

K

T

L

R

E

I

I

A

A

A

R

L

Q

L

L

D

A

D

K

L

L

G

R

I

V

D

D

Y

I

I

M

E

E

G

V

G

G

Y

F

P

P

G

V

A

S

N

S

P

-

L

-

D

-

T

-

D

-

F

-

A

-

K

-

R

-

P

-

L

-

R

-

Q

E

A

E

R

E

F

F

T

E

A

A

F

I

G

K

-

T

M

I

T

A

K

K

R

T

A

V

G

G

R

N

S

E

A

V

E

D

N

E

D

E

-

T

-

G

-

Y

-

V

P

P

G

V

I

I

A

C

G

G

L

I

L

A

S

R

A

C

D

K

A

K

Q

R

A

D

I

I

T

E

F

A

V

T

A

W

K

E

S

A

W

L

D

K

Y

Y

-

A

-

K

-

R

-

P

-

R

-

V

-

M

-

L

-

F

-

T

-

S

-

T

-

S

Q

E

V

I

H

H

V

M

A

K

-

Y

-

K

L

L

G

K

C

K

T

T

L

K

E

E

N

V

L

I

D

E

G

M

I

A

T

V

Q

N

S

S

I

V

A

K

A

Y

A

A

V

K

K

S

A

L

G

G

-

F

R

K

E

D

A

I

L

Q

L

F

D

G

C

C

E

E

H

-

F

-

D

D

G

G

Y

G

K

R

A

T

N

E

P

K

A

D

Y

F

A

I

L

C

E

K

C

I

A

L

K

G

T

E

A

S

Y

I

A

K

A

A

G

G

A

A

R

T

W

T

V

V

V

G

L

F

C

A

D

D

T

T

N

V

G
|
G

G

I

T

N

L

M

P

P

H

Q

E

E

I

F

E

G

E

E

I

L

V

V

R

A

A

Y

V

V

S

I

E

E

H

N

V

T

P

P

G

G

S

A

-

D

-

I

A

V

L

F

G

A

I

I

H

H

A

C

H

H

N

N

D

D

T

L

E

G

M

V

A

A

V

T

A

A

N

N

S

T

L

I

A

S

A

G

V

I

R

C

G

A

G

G

A

A

R

R

Q

Q

I

V

Q

E

G

V

T

T

L

I

N

N

G

G

L

I

G

G

E

E

R

R

C

S

G

G

N

N

A

A

N

P

L

L

V

E

S

E

L

V

I

V

P

M

T

A

L

L

L

K

L

C

K

R

E

G

P

E

Y

S

A

L

H

M

K

D

F

-

K

G

L

V

N

Y

V

T

A

K

I

I

E

D

T

S

L

R

P

Q

L

I

L

M

T

A

K

-

I

T

S

S

H

K

T

M

L

V

D

Q

E

E

L

H

L

T

N

G

R

M

S

Y

P

V

N

Q

R

P

H

H

A

K

P

P

Y

I

V

V

G

G

A

D

S

N

A

C

F

F

A

V

T

H

K

E

A

S

G

G

I

I

H

H

A

Q

S

D

A

G

L

I

M

L

K

K

E

N

P

R

K

S

T

T

Y

Y

E

E

H

I

V

L

P

S

P

P

E

E

S

D

V

V

G

G

G263 (= G185) mutation to E: In gsm2-1; loss of activity and lack of C6, C7 and C8 aliphatic glucosinolates.

4ov4A Isopropylmalate synthase binding with ketoisovalerate (see paper)
30% identity, 65% coverage: 15:360/536 of query aligns to 8:345/379 of 4ov4A

query
sites
4ov4A

D

D

T

V

T

T

L

L

R
|
R

D
|
D

G

G

A

N

Q
|
Q

T

A

M

L

G

K

V

R

D

P

F

W

S

T

L

I

A

D

D

E

K

K

T

I

R

E

I

V

A

F

A

D

L

L

D

V

D

E

L

L

G

N

I

V

D

D

Y

G

I

I

E

E

G

V

G

G

Y

F

P

P

G

S

A

S

N

N

P

-

L

-

D

E

T

T

D

E

F

F

-

H

-

T

-

C

-

Q

-

V

F

L

A

S

K

K

R

R

P

A

P

P

L

-

R

K

Q

G

A

K

R

P

F

I

T

A

A

A

F

L

G

S

M

-

T

-

K

-

R

-

A

-

G

-

R

R

S

A

A

N

E

Q

N

N

D

E

P

I

G

A

I

V

A

T

-

W

-

E

G

A

L

I

L

Q

S

K

A

A

D

D

A

C

Q

P

A

R

I

M

T

H

F

I

V

V

A

Y

K

P

S

V

W

S

D

D

Y

F

Q

S

V

I

H

K

V

H

A

V

L

L

G

K

C

I

T

S

L

E

E

K

E

E

N

V

L

L

D

Q

G

K

I

I

T

R

Q

N

S

S

I

I

A

S

A

F

A

A

-

R

-

S

-

I

V

V

K

G

A

P

G

G

R

I

E

E

A

I

L

Q

L

F

D

S

C

G

E

E

H

H

F

F

F

G

D

D

G

A

Y

I

K

E

A

-

N

N

P

F

A

A

Y

F

A

T

L

K

E

E

C

A

A

F

K

L

T

T

A

A

Y

I

A

E

A

A

G

G

A

A

R

N

W

I

V

I

V

N

L

L

C
x
P

D

N

T
|
T

N

V

G

E

G

R

T

Y

L

R

P

P

H

M

E

V

I

F

E

V

E

N

I

M

V

V

R

K

A

E

V

I

S

K

E

D

H

V

V

V

P

K

G

D

S

K

A

A

L

I

-

I

G

S

I

I

H
|
H

A

T

H
|
H

N

N

D

D

T

L

E

G

M

M

A

A

V

T

A

A

N

T

S

S

L

V

A

E

A

S

V

V

R

Y

G

V

G

G

A

A

R

E

Q

Q

I

I

Q

E

G

V

T

A

L

L

N

N

G

G

L

L

G

G

E

E

R

R

C

A

G

G

N

N

A

T

N

N

L

L

V

Y

S

E

L

T

I

A

P

I

T

A

L

L

L

-

K

-

E

-

P

-

Y

H

A

Q

H

N

K

G

F

E

K

N

L

L

N

N

V

I

A

N

I

F

E

Q

T

R

L

I

-

Y

P

P

L

T

L

A

T

K

K

R

I

I

S

S

H

-

T

-

L

-

D

-

E

E

L

L

L

T

N

G

R

I

S

P

P

I

N

G

R

E

H

K

A

T

P

P

Y

I

V

I

G

G

A

E

S

D

A

I

F

F

A

S

T

H

K

R

A

S

G

G

I

I

H

H

A

Q

S

H

A

-

L

-

M

-

K

Q

E

S

P

K

K

G

T

A

Y

Y

E

R

H

T

V

F

P

S

P

P

E

E

S

F

V

V

G

G

-

R

-

M

N

D

K

K

R

E

R

T

L

I

L

S

V

F

S

T

D

N

Q

Q

A

S

G

G

K

H

S

K

N

A

I

I

L

E

A

F

E

L

L

L

Q

H

R

Q

I

R

G

G

V

I

S

Q

V

V

active site: Q16 (= Q23)
binding 3-methyl-2-oxobutanoic acid: R12 (= R19), P174 (≠ C181), T176 (= T183), H205 (= H211), H207 (= H213)
binding zinc ion: D13 (= D20), H205 (= H211), H207 (= H213)

O87198 Homocitrate synthase; HCS; EC 2.3.3.14 from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see paper)
29% identity, 65% coverage: 13:358/536 of query aligns to 6:338/376 of O87198

query
sites
O87198

L

I

F

I

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

A

E

Q

Q

T

F

M

E

G

K

V

A

D

N

F

F

S

S

L

T

A

Q

D

D

K

K

T

V

R

E

I

I

A

A

A

K

L

A

L

L

D

D

D

E

L

F

G

G

I

I

D

E

Y

Y

I

I

E

E

G

V

G

T

Y

T

P

P

G

V

A

A

N

S

P

P

L

-

D

-

T

-

D

-

F

-

A

-

K

-

R

-

P

-

L

-

R

-

Q

Q

A

S

R

R

F

-

T

-

A

-

F

-

G

-

M

-

T

-

K

-

R

-

A

-

G

-

R

-

S

-

A

-

E

-

N

K

D

D

P

A

G

E

I

V

A

L

G

A

L

S

L

L

S

G

A

L

D

K

A

A

Q

K

A

V

I

V

T

T

F
x
H

V

I

A

Q

K

C

S

R

W

L

D

D

Y

A

-

A

Q

K

V

V

H

A

V

V

A

E

L

T

G

G

C

V

T

Q

L

G

E

I

E
x
D

N

L

L

L

D

F

G

G

I

T

T

S

Q

K

S

Y

I

L

A

R

A

A

V

-

K

-

A

H

G

G

R

R

E

-

A

-

L

-

D

D

C

I

E

P

H

R

F

I

D

E

G

E

Y

A

K

K

A

E

N

V

P

I

A

A

Y

Y

A

I

L

R

E

E

C

A

A

A

K

P

-

H

-

V

-

E

-

V

-
x
R

-

F

-
x
S

-

A

-

E

-

D

-

T

-

F

-

R

-

S

-

E

-

Q

-

D

-

L

T

A

A

V

Y

Y

A

E

A

A

G

V

A

A

R

P

W

Y

V

V

V

D

-

R

-

V

-

G

L

L

C

A

D

D

T
|
T

N

V

G

G

G

V

T

A

L

T

P

P

H

R

E

Q

I

V

E

Y

E

A

I

L

V

V

R

R

A

E

V

V

S

R

E

R

H

V

V

V

-

G

P

P

G

R

S

V

A

D

L

I

G

E

I

F

H
|
H

A

G

H
|
H

N

N

D

D

T

T

E

G

M

C

A

A

V

I

A

A

N

N

S

A

L

Y

A

E

A

A

V

I

R

E

G

A

G

G

A

A

R

T

Q

H

I

V

Q

D

G

T

T

T

L

I

N

L

G

G

L

I

G

G

E

E

R

R

C

N

G

G

N

I

A

T

N

P

L

L

V

G

S

G

L

F

I

L

P

A

T

R

L

M

L

Y

L

T

K

L

E

Q

P

P

-

E

-

Y

Y

V

A

R

H

R

K

K

F

Y

K

K

L

L

N

-

V

-

A

-

I

-

E

E

T

M

L

L

P

P

L

-

T

-

K

-

I

-

S

-

H

-

T

E

L

L

D

D

E

R

L

M

L

V

N

A

R

R

S

M

P

V

N

G

R

V

H

E

A

I

P

P

Y

F

-

N

-

Y

-

I

V

T

G

G

A

E

S

T

A

A

F

F

A

S

T

H

K

K

A

A

G

G

I

M

H

H

A

L

S

K

A

A

L

I

M

Y

K

I

E

N

P

P

K

E

T

A

Y

Y

E

E

H

P

V

Y

P

P

E

E

S

V

V

F

G

G

N

V

K

K

R

R

R

K

L

L

L

I

V

I

S

A

D

S

Q

R

-

L

A

T

G

G

K

R

S

H

N

A

I

I

L

K

A

A

E

R

L

A

Q

E

R

E

I

L

G

G

V

L

R12 (= R19) binding 2-oxoglutarate
E13 (≠ D20) binding Mg(2+)
H72 (≠ F107) 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 (≠ E126) binding L-lysine
R133 (vs. gap) binding 2-oxoglutarate
S135 (vs. gap) binding L-lysine
T166 (= T183) binding 2-oxoglutarate; binding L-lysine
H195 (= H211) binding Mg(2+)
H197 (= H213) binding Mg(2+)

2zyfA Crystal structure of homocitrate synthase from thermus thermophilus complexed with magnesuim ion and alpha-ketoglutarate (see paper)
30% identity, 61% coverage: 13:341/536 of query aligns to 6:314/314 of 2zyfA

query
sites
2zyfA

L

I

F

I

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

A

E

Q
|
Q

T

F

M

E

G

K

V

A

D

N

F

F

S

S

L

T

A

Q

D

D

K

K

T

V

R

E

I

I

A

A

A

K

L

A

L

L

D

D

D

E

L

F

G

G

I

I

D

E

Y

Y

I

I

E

E

G

V

G

T

Y

T

P

P

G

V

A

A

N

S

P

P

L

-

D

-

T

-

D

-

F

-

A

-

K

-

R

-

P

-

L

-

R

-

Q

Q

A

S

R

R

F

K

T

D

A

A

F

-

G

E

M

V

T

L

K

A

R

S

A

L

G

G

R

L

S

K

A

A

E

K

N

V

D

V

P

T

G
x
H

I

I

A

Q

G

C

L

R

L

L

S

D

A

A

D

A

A

K

Q

V

A

A

I

V

T

E

F

T

V

G

A

V

K

Q

S

G

W

I

D

D

Y

-

Q

-

V

-

H

-

V

L

A
x
L

L

F

G

G

C

T

T

S

L

K

E

G

E

R

N

D

L

I

D

P

G

R

I

I

T

I

Q

E

S

E

I

A

A

K

A

E

A

V

V

I

K

A

A

Y

G

I

R

R

E

E

A

A

L

A

L

P

D

H

C

V

E

E

H

V

F
x
R

F

F

-

S

-

A

-

E

D

D

G

T

Y

F

K

R

A

S

N

E

P

E

A

Q

Y

D

A

L

L

L

E

A

C

V

A

Y

K

E

T

-

A

A

Y

V

A

A

A

P

G

Y

A

V

R

D

W

R

V

V

V

G

L

L

C

A

D

D

T
|
T

N

V

G

G

G

V

T

A

L

T

P

P

H

R

E

Q

I

V

E

Y

E

A

I

L

V

V

R

R

A

E

V

V

S

R

E

R

H

V

V

V

-

G

P

P

G

R

S

V

A

D

L

I

G

E

I

F

H
|
H

A

G

H
|
H

N

N

D

D

T

T

E

G

M

C

A

A

V

I

A

A

N

N

S

A

L

Y

A

E

A

A

V

I

R

E

G

A

G

G

A

A

R

T

Q

H

I

V

Q

D

G

T

T

T

L

I

N

L

G

G

L

I

G

G

E

E

R

R

C

N

G

G

N

I

A

T

N

P

L

L

V

G

S

G

L

F

I

L

P

A

T

R

L

M

L

Y

L

T

K

L

E

Q

P

P

-

E

-

Y

Y

V

A

R

H

R

K

K

F

Y

K

K

L

L

N

-

V

-

A

-

I

-

E

E

T

M

L

L

P

P

L

-

T

-

K

-

I

-

S

-

H

-

T

E

L

L

D

D

E

R

L

M

L

V

N

A

R

R

S

M

P

V

N

G

R

V

H

E

A

I

P

P

Y

F

-

N

-

Y

-

I

V

T

G

G

A

E

S

T

A

A

F

F

A

S

T

H

K

K

A

A

G

G

I

M

H

H

A

L

S

K

A

A

L

I

M

Y

K

I

E

N

P

P

K

E

T

A

Y

Y

E

E

H

P

V

Y

P

P

E

E

S

V

V

F

G

G

N

V

K

K

R

R

R

K

L

L

L

I

V

I

S

A

active site: Q16 (= Q23)
binding 2-oxoglutaric acid: R12 (= R19), H72 (≠ G93), L94 (≠ A119), R127 (≠ F152), T160 (= T183), H189 (= H211)
binding magnesium ion: E13 (≠ D20), H189 (= H211), H191 (= H213)

2ztjA Crystal structure of homocitrate synthase from thermus thermophilus complexed with alpha-ketoglutarate (see paper)
29% identity, 61% coverage: 13:341/536 of query aligns to 6:312/312 of 2ztjA

query
sites
2ztjA

L

I

F

I

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

A

E

Q
|
Q

T

F

M

E

G

K

V

A

D

N

F

F

S

S

L

T

A

Q

D

D

K

K

T

V

R

E

I

I

A

A

A

K

L

A

L

L

D

D

D

E

L

F

G

G

I

I

D

E

Y

Y

I

I

E

E

G

V

G

T

Y

T

P

P

G

V

A

A

N

S

P

P

L

-

D

-

T

-

D

-

F

-

A

-

K

-

R

-

P

-

L

-

R

-

Q

Q

A

S

R

R

F

-

T

-

A

-

F

-

G

-

M

-

T

-

K

-

R

-

A

-

G

-

R

-

S

-

A

-

E

-

N

K

D

D

P

A

G

E

I

V

A

L

G

A

L

S

L

L

S

G

A

L

D

K

A

A

Q

K

A

V

I

V

T

T

F
x
H

V

I

A

Q

K

C

S

R

W

L

D

D

Y

A

-

A

Q

K

V

V

H

A

V

V

A

E

L

T

G

G

C

V

T

Q

L

G

E

I

E

D

N

L

L
|
L

D

F

G

G

I

T

T

G

Q

R

S

D

I

I

A

P

A

R

A

I

V

I

K

E

A

E

G

A

R

K

E

E

A

V

L

I

L

A

D

Y

C

I

E

R

-

E

-

A

-

P

H

H

F

V

F

E

D

V

G
x
R

Y

F

K

S

A

A

N

E

P

D

A

T

Y

F

A

R

L

S

E

E

C

E

A

Q

K

D

-

L

T

A

A

V

Y

Y

A

E

A

A

G

V

A

A

R

P

W

Y

V

V

V

D

-

R

-

V

-

G

L

L

C
x
A

D

D

T
|
T

N

V

G

G

G

V

T

A

L

T

P

P

H

R

E

Q

I

V

E

Y

E

A

I

L

V

V

R

R

A

E

V

V

S

R

E

R

H

V

V

V

-

G

P

P

G

R

S

V

A

D

L

I

G

E

I

F

H
|
H

A

G

H
|
H

N

N

D

D

T

T

E

G

M

C

A

A

V

I

A

A

N

N

S

A

L

Y

A

E

A

A

V

I

R

E

G

A

G

G

A

A

R

T

Q

H

I

V

Q

D

G

T

T

T

L

I

N

L

G

G

L

I

G

G

E

E

R

R

C

N

G

G

N

I

A

T

N

P

L

L

V

G

S

G

L

F

I

L

P

A

T

R

L

M

L

Y

L

T

K

L

E

Q

P

P

-

E

-

Y

Y

V

A

R

H

R

K

K

F

Y

K

K

L

L

N

-

V

-

A

-

I

-

E

E

T

M

L

L

P

P

L

-

T

-

K

-

I

-

S

-

H

-

T

E

L

L

D

D

E

R

L

M

L

V

N

A

R

R

S

M

P

V

N

G

R

V

H

E

A

I

P

P

Y

F

-

N

-

Y

-

I

V

T

G

G