SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing WP_012471355.1 NCBI__GCF_000020385.1:WP_012471355.1 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)

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)
54% identity, 96% coverage: 11:509/519 of query aligns to 3:503/517 of Q9JZG1

query
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D16 (= D24) binding Mn(2+)
H204 (= H213) binding Mn(2+)
H206 (= H215) binding Mn(2+)
N240 (= N249) 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)
48% identity, 75% coverage: 15:405/519 of query aligns to 85:485/506 of Q9FG67

query
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Q9FG67

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S102 (= S32) mutation to F: In gsm1-1; loss of conversion of C3 to C4 glucosinolates.
A290 (≠ S211) mutation to T: In gsm1-2; loss of conversion of C3 to C4 glucosinolates.

6e1jA Crystal structure of methylthioalkylmalate synthase (bjumam1.1) from brassica juncea (see paper)
47% identity, 73% coverage: 15:391/519 of query aligns to 18:408/409 of 6e1jA

query
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A

A

N

N

A

C

F

F

A

V

H

H

E

E

A
x
S

G
|
G

I
|
I

H

H

Q

Q

H
x
D

G

G

M

I

L

L

M
x
K

D

N

K

R

S

S

T

T

Y

Y

E

E

I

I

M

I

T

S

P

P

E

E

S

D

V

V

G

G

L

V

T

V

A

K

-

S

-

Q

-

N

S

S

A

G

L

I

V

V

L

L

G

G

K

K

H
x
L

S

S

G

G

R
|
R

H
|
H

A

A

F

V

K

K

K

G

R

R

L

L

E

K

E

E

L

L

G

G

H

Y

D

E

L

I

D

S

D

D

E

E

M

K

L

L

N

N

R

E

A

V

F

F

E

S

R

R

F

F

K

R

A

D

L

L

A

T

D

K

L

Q

K

K

E

R

V

V

F

T

D

D

E

D

D

D

L

L

D

K

A

A

I

L

V

V

T

T

binding coenzyme a: Q30 (= Q27), F60 (= F57), S63 (≠ A60), I95 (≠ L83), R97 (= R85), F121 (= F110), K132 (= K121), L133 (= L122), S322 (≠ A308), G323 (= G309), I324 (= I310), D327 (≠ H313), K331 (≠ M317), L359 (≠ H342), R362 (= R345), H363 (= H346)
binding 4-(methylsulfanyl)-2-oxobutanoic acid: P192 (= P180), T194 (= T182), H225 (= H213), H227 (= H215)
binding manganese (ii) ion: D27 (= D24), V82 (vs. gap), E84 (vs. gap), H225 (= H213), H227 (= H215)

3rmjB Crystal structure of truncated alpha-isopropylmalate synthase from neisseria meningitidis (see paper)
57% identity, 62% coverage: 12:332/519 of query aligns to 1:307/308 of 3rmjB

query
sites
3rmjB

T

T

R

N

T

R

I

V

K

I

I

I

F

F

D

D

T

T

L

L

R

R

D
|
D

G

G

E

E

Q
|
Q

A

S

P

P

G

G

N

A

S

A

M

M

N

T

I

K

E

E

K

K

L

I

R

R

F

V

A

A

K

R

Q

Q

L

L

Q

E

K

K

L

L

N

G

V

V

D

D

V

I

I

I

E

E

A

A

G

G

F

F

P

A

I

A

A

A

S

S

E

P

G

G

D

D

F

F

E

E

A

A

V

V

K

N

K

A

V

I

A

A

Q

K

S

T

I

I

K

T

G

K

P

S

E

T

I

V

A

C

G

S

L

L

C

S

R

R

S

A

N

I

L

E

K

R

D

D

I

I

D

R

R

Q

A

A

W

G

E

E

A

A

L

V

K

A

Y

P

A

A

G

P

E

K

K

K

G

-

R

R

I

I

H

H

T

T

F

F

I

I

A

A

T

T

S

S

D

P

I

I

H

H

M

M

K

E

Y

Y

K

K

L

L

Q

K

M

M

E

K

P

P

A

K

Q

Q

V

V

L

I

E

E

S

A

A

A

V

V

K

K

A

A

V

V

K

K

R

I

A

A

A

R

G

E

Y

Y

T

T

P

D

N

D

V

V

E

E

F

F

S

S

C

C

E

E

D

D

A

A

V

L

R

R

T

S

Q

E

L

I

P

D

F

F

L

L

A

A

Q

E

V

I

V

C

E

G

A

A

V

V

I

I

A

E

A

A

G

G

A

A

T

T

V

I

N

N

I

I

P

P

D

D

T

T

V

V

G

G

Y

Y

T

S

V

I

P

P

F

Y

E

K

Y

T

F

E

N

E

I

F

K

R

Y

E

L

L

K

I

D

A

N

K

V

T

P

P

N

N

I

G

E

G

K

K

A

V

V

V

I

W

S

S

V

A

H
|
H

C

C

H
|
H

N

N

D

D

L

L

G

G

L

L

S

A

V

V

A

A

N

N

S

S

I

L

A

A

I

L

Q

K

A

G

G

G

A

A

G

R

Q

Q

V

V

E

E

C

C

T

T

I

V

N

N

G

G

I

L

G

G

E

E

R

R

A

A

G

G

N
|
N

C

A

S

S

L

V

E

E

F

I

V

V

M

M

I

A

L

L

R

K

T

V

R

R

R

H

D

D

I

L

L

F

P

G

F

L

V

E

T

T

G

G

I

I

A

D

T

T

E

T

Q

Q

L

I

T

V

P

P

A

S

S

S

R

K

L

L

L

V

T

S

N

T

I

I

T

T

G

G

I

Y

A

P

V

V

Q

Q

P

P

N

N

K

K

S

A

V

I

V

V

G

G

A

A

N

N

A

A

F

F

A

S

H

H

E

E

A

-

G

-

I

-

H

-

Q

-

H

-

G

-

M

-

L

-

M

-

D

-

K

-

S

-

T

T

Y

Y

E

E

I

I

M

M

T

S

P

A

E

E

S

S

V

V

G

G

L

W

active site: Q16 (= Q27)
binding manganese (ii) ion: D13 (= D24), H201 (= H213), H203 (= H215), N237 (= N249)

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)
46% identity, 73% coverage: 15:392/519 of query aligns to 85:476/503 of Q9FN52

query
sites
Q9FN52

I

V

K

R

I

V

F

L

D

D

T

T

L

L

R

R

D

D

G

G

E

E

Q

Q

A

S

P

P

G

G

N

A

S

A

M

L

N

T

I

P

E

P

E

Q

K

K

L

L

R

E

F

I

A

A

K

R

Q

Q

L

L

Q

A

K

K

L

L

N

R

V

V

D

D

V

I

I

M

E

E

A

V

G

G

F

F

P

P

I

V

A

S

S

S

E

E

G

E

D

E

F

F

E

E

A

A

V

I

K

K

K

T

V

I

A

A

Q

K

S

T

I

V

K

G

G

N

-

E

-

V

-

D

-

E

-

T

-

G

-

Y

-

V

P

P

E

V

I

I

A

C

G

G

L

I

C

A

R

R

S

C

N

K

L

K

K

R

D

D

I

I

D

E

R

A

A

T

W

W

E

E

A

A

L

L

K

K

Y

Y

A

A

G

-

E

K

K

R

G

P

R

R

I

V

H

M

T

L

F

F

I

T

A

S

T

T

S

S

D

E

I

I

H

H

M

M

K

K

Y

Y

K

K

L

L

Q

K

M

K

E

T

P

K

A

E

Q

E

V

V

L

I

E

E

S

M

A

A

V

V

K

N

A

S

V

V

K

K

-

Y

-

A

R

K

A

S

A

L

G

G

Y

F

T

K

P

-

N

D

V

I

E

Q

F

F

S

G

C

C

E

E

D

D

A

G

V

G

R

R

T

T

Q

E

L

K

P

D

F

F

L

I

A

C

Q

K

V

I

V

L

E

G

A

E

V

S

I

I

A

K

A

A

G

G

A

A

T

T

V

V

N

G

I

F

P

A

D

D

T

T

V

V

G
|
G

Y

I

T

N

V

M

P

P

F

Q

E

E

Y

F

F

G

N

E

I

L

I

V

K

A

Y

Y

L

V

K

I

D

E

N

N

V

T

P

P

N

G

I

A

E

D

K

D

A

I

V

V

I

F

S

A

V

I

H

H

C

C

H

H

N

N

D

D

L

L

G

G

L

V

S

A

V

T

A

A

N

N

S

T

I

I

A

S

A

G

I

I

Q

C

A

A

G

G

A

A

G

R

Q

Q

V

V

E

E

C

V

T

T

I

I

N

N

G

G

I

I

G

G

E

E

R

R

A

S

G

G

N

N

C

A

S

P

L

L

E

E

F

V

V

V

M

M

I

A

L

L

R

K

T

C

R

R

R

G

D

E

I

S

L

L

-

M

-

D

P

G

F

V

V

Y

T

T

G

K

I

I

A

D

T

S

E

R

Q

Q

L

I

T

M

P

A

A

T

S

S

R

K

L

M

L

V

T

Q

N

E

I

H

T

T

G

G

I

M

A

Y

V

V

Q

Q

P

P

N

H

K

K

S

P

V

I

V

V

G

G

A

D

N

N

A

C

F

F

A

V

H

H

E

E

A

S

G

G

I

I

H

H

Q

Q

H

D

G

G

M

I

L

L

M

K

D

N

K

R

S

S

T

T

Y

Y

E

E

I

I

M

L

T

S

P

P

E

E

S

D

V

V

G

G

L

I

T

V

A

K

-

S

-

E

-

N

S

S

A

G

L

I

V

V

L

L

G

G

K

K

H

L

S

S

G

G

R

R

H

H

A

A

F

V

K

K

K

D

R

R

L

L

E

K

E

E

L

L

G

G

H

Y

D

E

L

I

D

S

D

D

E

E

M

K

L

F

N

N

R

D

A

I

F

F

E

S

R

R

F

Y

K

R

A

E

L

L

A

T

D

K

L

D

K

K

E

R

V

I

F

T

D

D

E

A

D

D

L

L

D

K

A

A

I

L

V

V

T

V

D

N

G263 (= G184) mutation to E: In gsm2-1; loss of activity and lack of C6, C7 and C8 aliphatic glucosinolates.

6ktqA Crystal structure of catalytic domain of homocitrate synthase from sulfolobus acidocaldarius (sahcs(dram)) in complex with alpha- ketoglutarate/zn2+/coa (see paper)
33% identity, 75% coverage: 15:404/519 of query aligns to 22:396/399 of 6ktqA

query
sites
6ktqA

I

V

K

G

I

I

F

L

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q

Q

A

T

P

P

G

G

N

V

S

V

M

F

N

T

I

T

E

D

E

Q

K

R

L

V

R

E

F

I

A

A

K

K

Q

A

L

L

Q

S

K

D

L

I

N

G

V

V

D

Q

V

M

I

I

E

E

A

A

G

G

F

H

P

P

I

A

A
x
V

S

S

E

P

G

D

D

I

F

Y

E

E

A

G

V

I

K

R

V

I

A

I

-

K

-

L

-

K

-

R

Q

E

S

G

I

V

K

I

G

K

P

S

E

E

I

I

A

V

G

A

L

H

C

S

R
|
R

S
x
A

N

V

L

K

K

R

D

D

I

I

D

E

R

V

A

G

W

A

E

E

A

I

L

-

K

-

Y

-

A

-

G

-

E

E

K

A

G

D

R

R

I

I

H

A

T

I

F
|
F

I

Y

A

G

T

I

S

S

D

D

I

T

H

H

M

L

K

K

Y

A

K

K

L
x
H

Q

H

M

T

E

T

P

R

A

D

Q

E

V

A

L

L

E

R

S

S

A

I

V

A

K

E

A

T

V

V

K

S

R

Y

A

A

A

K

G

S

Y

H

T

G

P

V

N

K

V

V

E
x
R

F

F

S
x
T

C

A

E
|
E

D

D

A

A

V

T

R

R

T

A

Q

D

L

Y

P

Q

F

Y

L

L

A

L

Q

E

V

V

V

I

E

K

A

T

V

V

I

R

A

D

A

A

G

G

A

A

T

D

T

R

V

V

N
x
S

I

I

P

A

D

D

T
|
T

V

V

G

G

Y

V

T

L

V

Y

P

P

F

S

E

R

Y

T

F

R

N

E

I

L

I

F

K

K

Y

D

L

L

K

T

D

S

N

R

V

F

P

P

N

D

I

I

E

E

K

-

A

-

V

-

I

F

S

D

V

I

H
|
H

C

A

H
|
H

N

N

D

D

L

L

G

G

L

M

S

A

V

V

A

A

N

N

S

V

I

L

A

A

I

A

Q

E

A

G

G

G

A

A

G

T

Q

I

V

I

E

H

C

T

T

T

I

L

N

N

G

G

I

L

G

G

E

E

R

R

A

V

G

G

N

I

C

A

S

P

L

L

E

Q

E

V

F

V

V

A

M

A

I

A

L

L

R

K

T

Y

R

H

R

F

D

G

I

I

L

-

P

-

F

-

V

-

T

E

G

V

I

V

A

D

T

L

E

K

Q

K

L

L

T

S

P

E

A

V

S

A

R

S

L

L

L

V

T

E

N

K

I

Y

T

S

G

G

I

I

A

A

V

L

Q

P

P

P

N

N

K

F

S

P

V

I

V

T

G

G

A

D

N

Y

A

A

F

F

A

V

H

H

E

K

A

A

G

G

I

V

H

H

Q

V

H

A

G

G

M

V

L

L

M

N

D

D

K

P

S

K

T

T

Y

Y

E

E

I

F

M

L

T

P

P

P

E

E

S

T

V

F

G

G

L

R

T

S

A

R

S

D

A

-

L

Y

V

V

L

I

G

D

K

K

H

Y

S

T

G

G

R

K

H

H

A

A

F

V

K

K

K

D

R

R

L

F

E

D

E

R

L

L

G

G

H

V

D

K

L

L

D

T

D

D

E

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M

E

L

I

N

D

R

Q

A

V

F

L

E

A

R

K

F

I

K

K

A

S

L

N

A

P

D

N

L

V

K

R

K

-

E

-

V

-

F

F

D

Y

E

R

D

D

L

V

D

D

A

L

I

L

V

-

T

-

D

-

E

E

S

L

R

A

E

E

E

S

D

V

Q

T

Y

G

K

R

L

L

E

E

H

H

binding 2-oxoglutaric acid: R30 (= R23), R154 (≠ E148), T156 (≠ S150), E158 (= E152), S184 (≠ N178), T188 (= T182), H216 (= H213), H218 (= H215)
binding coenzyme a: V67 (≠ A60), R96 (= R85), A97 (≠ S86), F116 (= F110), H128 (≠ L122), E158 (= E152)
binding zinc ion: E31 (≠ D24), H216 (= H213), H218 (= H215)

4ov4A Isopropylmalate synthase binding with ketoisovalerate (see paper)
32% identity, 73% coverage: 13:389/519 of query aligns to 2:377/379 of 4ov4A

query
sites
4ov4A

R

K

T

T

I

I

K

H

I

I

F

Q

D

D

T

V

T

T

L

L

R
|
R

D
|
D

G

G

E

N

Q
|
Q

A

A

P

L

G

K

N

R

S

P

M

W

N

T

I

I

E

D

E

E

K

K

L

I

R

E

F

V

A

F

K

D

Q

L

L

L

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-

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G

G

P

K

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A

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A

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E

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A

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-

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H

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-

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active site: Q16 (= Q27)
binding 3-methyl-2-oxobutanoic acid: R12 (= R23), P174 (= P180), T176 (= T182), H205 (= H213), H207 (= H215)
binding zinc ion: D13 (= D24), H205 (= H213), H207 (= H215)

4ov9A Structure of isopropylmalate synthase binding with alpha- isopropylmalate (see paper)
32% identity, 73% coverage: 13:389/519 of query aligns to 2:379/380 of 4ov9A

query
sites
4ov9A

R

K

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T

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active site: Q16 (= Q27)
binding (2S)-2-hydroxy-2-(propan-2-yl)butanedioic acid: R12 (= R23), L73 (= L83), T176 (= T182), H205 (= H213), H207 (= H215)
binding zinc ion: D13 (= D24), H205 (= H213), H207 (= H215)

Q8F3Q1 (R)-citramalate synthase CimA; LiCMS; EC 2.3.3.21 from Leptospira interrogans serogroup Icterohaemorrhagiae serovar Lai (strain 56601) (see 2 papers)
32% identity, 97% coverage: 8:508/519 of query aligns to 2:510/516 of Q8F3Q1

query
sites
Q8F3Q1

T

T

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E

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T

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x
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x
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x
L

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A

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x
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N

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x
Y

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|
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S

A

A

F

F

M

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A

A

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R

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K

K

L

I

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N

-

R

-

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-

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x
I

I

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T

P

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|
T

D

D

A

A

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L

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x
V

E

E

V

T

T

R

V

I

R

T

V

W

E

N

-

K

-

S

-

L

-

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-

L

E

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E

G

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G

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x
P

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x
Q

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A

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A

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H

A

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M

L

L

N

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Q

L

I

R16 (= R23) mutation R->K,Q: Loss of activity.
RD 16:17 (= RD 23:24) binding pyruvate
D17 (= D24) 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 (≠ A81) 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 (≠ L83) mutation to A: 5-fold increase in Km for acetyl-CoA and 120-fold decrease in kcat.
L104 (≠ F110) mutation to V: 1.8-fold increase in Km for pyruvate and 3.4-fold decrease in kcat.
Y144 (≠ E148) 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 (vs. gap) mutation E->D,Q: Minor effects on the binding of acetyl-CoA, but causes a strong decrease in kcat.
T179 (= T182) binding pyruvate; mutation to A: 16.4-fold increase in Km for pyruvate and 186-fold decrease in kcat.
H302 (= H311) mutation H->A,N: Loss of activity.
D304 (≠ H313) mutation to A: 5.2-fold increase in Km for acetyl-CoA and 16.6-fold decrease in kcat.
N310 (≠ K319) mutation to A: 2.2-fold increase in Km for acetyl-CoA and 1.7-fold decrease in kcat.
L311 (≠ S320) mutation to A: 8-fold increase in Km for acetyl-CoA and 6-fold decrease in kcat.
Y312 (≠ T321) mutation to A: Loss of activity.
Y430 (≠ V438) mutation to L: No change in Km for acetyl-CoA and 2.3-fold decrease in kcat. Severely impairs inhibition by isoleucine.
D431 (= D439) mutation to A: 1.8-fold decrease in Km for acetyl-CoA and 5-fold decrease in kcat.
L451 (= L455) mutation to V: 1.5-fold increase in Km for acetyl-CoA and 4.3 decrease in kcat.
Y454 (= Y458) 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 (≠ S462) mutation to A: 1.3-fold decrease in Km for acetyl-CoA and 14-fold decrease in kcat. Abolishes inhibition by isoleucine.
T464 (= T467) mutation to A: 1.8-fold decrease in Km for acetyl-CoA and 4.3-fold decrease in kcat.
V468 (≠ G471) 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 (≠ T491) mutation to A: 1.5-fold decrease in Km for acetyl-CoA and 2.6-fold decrease in kcat.
Q495 (≠ I493) mutation to A: 1.6-fold decrease in Km for acetyl-CoA and 2.8-fold decrease in kcat.

Q9Y823 Homocitrate synthase, mitochondrial; HCS; EC 2.3.3.14 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see 2 papers)
31% identity, 72% coverage: 17:390/519 of query aligns to 37:399/418 of Q9Y823

query
sites
Q9Y823

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R43 (= R23) binding 2-oxoglutarate; mutation R->A,K,Q: Abolishes the catalytic activity.
E44 (≠ D24) binding 2-oxoglutarate; binding L-lysine; binding Zn(2+)
Q47 (= Q27) mutation to A: Abolishes the catalytic activity.
E74 (= E54) 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 (≠ L83) binding 2-oxoglutarate; mutation to A: Substantially impairs catalytic efficiency.
D123 (≠ H108) binding L-lysine; mutation to N: Does not affect the catalytic activity but impairs L-lysine inhibition.
R163 (≠ E148) 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 (= S150) binding 2-oxoglutarate; mutation to A: Results in a moderate decrease in catalytic efficiency.
E167 (= E152) mutation E->A,Q: Abolishes the catalytic activity.
T197 (= T182) 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 (≠ S211) mutation to Q: Does not affect the catalytic activity but impairs L-lysine inhibition.
H224 (= H213) binding 2-oxoglutarate; binding Zn(2+)
H226 (= H215) binding 2-oxoglutarate; binding Zn(2+)
R288 (≠ T278) mutation to K: Does not affect the catalytic activity but impairs L-lysine inhibition.
Y332 (= Y322) mutation to A: Abolishes the catalytic activity.; mutation to F: Results in a decrease in catalytic efficiency.
Q364 (≠ E354) mutation to R: Does not affect the catalytic activity but impairs L-lysine inhibition.

3ivtB Homocitrate synthase lys4 bound to 2-og (see paper)
31% identity, 72% coverage: 17:390/519 of query aligns to 32:394/400 of 3ivtB

query
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3ivtB

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active site: Q42 (= Q27)
binding 2-oxoglutaric acid: R38 (= R23), H98 (≠ L83), R158 (≠ E148), S160 (= S150), T192 (= T182), H219 (= H213), H221 (= H215)
binding zinc ion: E39 (≠ D24), H219 (= H213), H221 (= H215)

O87198 Homocitrate synthase; HCS; EC 2.3.3.14 from Thermus thermophilus (strain ATCC BAA-163 / DSM 7039 / HB27) (see paper)
31% identity, 73% coverage: 13:392/519 of query aligns to 2:372/376 of O87198

query
sites
O87198

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I

M

H

H

Q

L

H

K

G

A

M

I

L

Y

M

I

D

N

K

P

S

E

T

A

Y

Y

E

E

I

P

M

Y

T

P

P

P

E

E

S

V

V

F

G

G

L

V

T

K

A

R

S

K

A

L

L

I

V

I

L

A

G

S

K

R

H

L

S

T

G

G

R

R

H

H

A

A

F

I

K

K

K

A

R

R

L

A

E

E

L

L

G

G

H

L

D

H

L

Y

D

G

D

E

E

E

M

E

L

L

N

H

R

R

A

V

F

T

E

Q

R

H

F

I

K

K

A

A

L

L

A

A

D

D

L

-

K

R

K

G

E

Q

V

L

F

T

D

L

E

E

D

E

L

L

D

D

A

R

I

I

V

L

T

R

D

E

R12 (= R23) binding 2-oxoglutarate
E13 (≠ D24) binding Mg(2+)
H72 (≠ D90) 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 (≠ H108) binding L-lysine
R133 (vs. gap) binding 2-oxoglutarate
S135 (= S150) binding L-lysine
T166 (= T182) binding 2-oxoglutarate; binding L-lysine
H195 (= H213) binding Mg(2+)
H197 (= H215) binding Mg(2+)

3mi3A Homocitrate synthase lys4 bound to lysine (see paper)
31% identity, 72% coverage: 17:390/519 of query aligns to 14:365/370 of 3mi3A

query
sites
3mi3A

I

I

F

I

D

E

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q
|
Q

A

F

P

A

G

N

N

A

S

F

M

F

N

D

I

T

E

E

E

K

K

K

L

I

R

Q

F

I

A

A

K

K

Q

A

L

L

Q

D

K

N

L

F

N

G

V

V

D

D

V

Y

I

I

E

E

A

L

G

T

F

S

P

P

I

V

A

A

S

S

E

E

G

Q

-

S

-

R

-

Q

D

D

F

C

E

E

A

A

V

I

K

C

K

K

V

L

A

G

Q

L

S

K

I

C

K

K

G

-

P

-

E

-

I

I

A

L

G

T

L

H

C

I

R

R

S

C

N

H

L

M

K

D

D

D

I

A

D

R

R

V

A

A

W

V

E

E

A

T

L

-

K

-

Y

-

A

-

G

G

E

V

K

D

G

G

R

-

I

V

H
x
D

T

V

F

V

I

I

A

G

T

T

S

S

D

-

I

-

H

-

M

M

K

T

Y

Y

K

-

L

-

Q

-

M

-

E

-

P

-

A

-

Q

-

V

I

L

I

E

D

S

S

A

A

V

T

K

E

A

V

V

I

K

N

R

F

A

V

A

K

G

S

Y

K

T

G

P

I

N

E

V

V

E

R

F

F

S

S

C

S

E

E

D

D

A

S

V

F

R

R

T

S

Q

D

L

L

P

V

F

D

L

L

A

L

Q

S

V

L

V

Y

E

K

A

A

V

V

I

D

A

K

A

I

G

G

A

V

T

N

T

R

V

V

N

G

I

I

P

A

D

D

T
|
T

V

V

G

G

Y

C

T

A

V

T

P

P

F

R

E

Q

Y

V

F

Y

N

D

I

L

I

I

K

R

Y

T

L

L

K

R

D

-

N

-

V

-

P

-

N

G

I

V

E

V

K

S

A

C

V

D

I

I

S

E

V

C

H
|
H

C

F

H
|
H

N

N

D

D

L

T

G

G

L

M

S

A

V

I

A

A

N

N

S

A

I

Y

A

C

A

A

I

L

Q

E

A

A

G

G

A

A

G

T

Q

H

V

I

E

D

C

T

T

S

I

I

N

L

G

G

I

I

G

G

E

E

R

R

A

N

G

G

N

I

C

T

S

P

L

L

E

G

E

A

F

L

V

L

M

A

-

R

I

M

L

Y

R

V

T

T

R

D

R

R

D

E

I

Y

L

I

P

T

F

H

V

K

T

Y

G

K

I

L

A

-

T

-

E

N

Q

Q

L

L

T

R

P

E

A

L

S

E

R

N

L

L

L

V

T

A

N

D

I

A

T

V

G

E

I

V

A

Q

V

I

Q

P

P

F

N

N

K

N

S

Y

V

I

V

T

G

G

A

M

N

C

A

A

F

F

A

T

H

H

E

K

A

A

G

G

I

I

H

H

Q

A

H

K

G

A

M

I

L

L

M

A

D

N

K

P

S

S

T

T

Y

Y

E

E

I

I

M

L

T

K

P

P

E

E

S

D

V

F

G

G

L

M

T

S

A

R

S

Y

A

V

L

H

V

V

L

G

G

S

K

R

H

L

S

T

G

G

R

W

H

N

A

A

F

I

K

K

K

S

R

R

L

A

E

E

E

Q

L

L

G

N

H

L

D

H

L

L

D

T

D

D

E

A

M

Q

L

A

N

K

R

E

A

L

F

T

E

V

R

R

F

I

K

K

A

K

L

L

A

A

D

D

L

V

K

R

K

T

E

L

V

A

F

M

D

D

E

-

D

D

L

V

D

D

A

R

I

V

V

L

active site: Q24 (= Q27)
binding lysine: R20 (= R23), D100 (≠ H108), T163 (= T182), H190 (= H213), H192 (= H215)
binding zinc ion: E21 (≠ D24), H190 (= H213), H192 (= H215)

3ivsA Homocitrate synthase lys4 (see paper)
31% identity, 66% coverage: 17:359/519 of query aligns to 14:333/364 of 3ivsA

query
sites
3ivsA

I

I

F

I

D

E

T

S

T

T

L

L

R

R

D
x
E

G

G

E

E

Q
|
Q

A

F

P

A

G

N

N

A

S

F

M

F

N

D

I

T

E

E

E

K

K

K

L

I

R

Q

F

I

A

A

K

K

Q

A

L

L

Q

D

K

N

L

F

N

G

V

V

D

D

V

Y

I

I

E

E

A

L

G

T

F

S

P

P

I

V

A

A

S

S

E

E

G

Q

-

S

-

R

-

Q

D

D

F

C

E

E

A

A

V

I

K

C

K

K

V

L

A

G

Q

L

S

K

I

C

K

K

G

-

P

-

E

-

I

I

A

L

G

T

L

H

C

I

R

R

S

C

N

H

L

M

K

D

D

D

I

A

D

R

R

V

A

A

W

V

E

E

A

T

L

-

K

-

Y

-

A

-

G

G

E

V

K

D

G

G

R

-

I

V

H

D

T

V

F

V

I

I

A

G

T

T

S

T

D

-

I

-

H

-

M

-

K

-

Y

-

K

-

L

-

Q

-

M

-

E

-

P

-

A

-

Q

Y

V

I

L

I

E

D

S

S

A

A

V

T

K

E

A

V

V

I

K

N

R

F

A

V

A

K

G

S

Y

K

T

G

P

I

N

E

V

V

E

R

F

F

S

S

C

S

E

E

D

D

A

S

V

F

R

R

T

S

Q

D

L

L

P

V

F

D

L

L

A

L

Q

S

V

L

V

Y

E

K

A

A

V

V

I

D

A

K

A

I

G

G

A

V

T

N

T

R

V

V

N

G

I

I

P

A

D

D

T

T

V

V

G

G

Y

C

T

A

V

T

P

P

F

R

E

Q

Y

V

F

Y

N

D

I

L

I

I

K

R

Y

T

L

L

K

R

D

-

N

-

V

-

P

-

N

G

I

V

E

V

K

S

A

C

V

D

I

I

S

E

V

C

H
|
H

C

F

H
|
H

N

N

D

D

L

T

G

G

L

M

S

A

V

I

A

A

N

N

S

A

I

Y

A

C

A

A

I

L

Q

E

A

A

G

G

A

A

G

T

Q

H

V

I

E

D

C

T

T

S

I

I

N

L

G

G

I

I

G

G

E

E

R

R

A

N

G

G

N

I

C

T

S

P

L

L

E

G

E

A

F

L

V

L

M

A

-

R

I

M

L

Y

R

V

T

T

R

D

R

R

D

E

I

Y

L

I

P

T

F

H

V

K

T

Y

G

K

I

L

A

-

T

-

E

N

Q

Q

L

L

T

R

P

E

A

L

S

E

R

N

L

L

L

V

T

A

N

D

I

A

T

V

G

E

I

V

A

Q

V

I

Q

P

P

F

N

N

K

N

S

Y

V

I

V

T

G

G

A

M

N

C

A

A

F

F

A

T

H

H

E

K

A

A

G

G

I

I

H

H

Q

A

H

K

G

A

M

I

L

L

M

A

D

N

K

P

S

S

T

T

Y

Y

E

E

I

I

M

L

T

K

P

P

E

E

S

D

V

F

G

G

L

M

T

S

A

R

S

Y

A

V

L

H

V

V

L

G

G

S

K

R

H

L

S

T

G

G

R

W

H

N

A

A

F

I

K

K

K

S

R

R

L

A

E

E

E

Q

L

L

G

N

H

L

D

H

L

L

active site: Q24 (= Q27)
binding cobalt (ii) ion: E21 (≠ D24), H188 (= H213), H190 (= H215)

3bliA Crystal structure of the catalytic domain of licms in complexed with pyruvate and acetyl-coa (see paper)
33% identity, 58% coverage: 15:313/519 of query aligns to 2:298/311 of 3bliA

query
sites
3bliA

I

L

K

E

I

I

F

L

D

D

T

V

T

T

L

L

R
|
R

D
|
D

G

G

E

E

Q
|
Q

A

T

P

R

G

G

N

V

S

S

M

F

N

S

I

T

E

S

E

E

K

K

L

L

R

N

F

I

A

A

K

K

-

F

Q

L

L

L

Q

Q

K

K

L

L

N

N

V

V

D

D

V

R

I

V

E

E

A

I

G

A

F

S

P

A

I
x
R

A
x
V

S

S

E

K

G

G

D

E

F

L

E

E

A

T

V

V

K

Q

K

K

V

I

A

M

-

E

-

W

-

A

-

T

-

E

Q

Q

S

L

I

T

K

E

G

R

P

I

E

E

I

I

A

L

G

G

L

F

C

V

R

D

S

G

N

N

L

-

K

K

D

T

I

V

D

D

R

-

A

-

W

W

E

-

A

-

L

I

K

K

Y

D

A

S

G

G

E

A

K

K

G

-

R

V

I

L

H

N

T

L

F

L

I

T

A

K

T

G

S

S

D

L

I

H

H

H

M

L

K

E

Y

K

K

Q

L

L

Q

G

M

K

E

T

P

P

A

K

Q

E

-

F

-

T

-

D

-

V

-

S

-

F

V

V

L

I

E

E

S

Y

A

A

V

I

K

K

A

S

V

-

K

-

R

-

A

-

G

G

Y

L

T

K

P

I

N

N

V

V

E
x
Y

F

L

-
x
E

S

D

C

W

E

S

D

N

A

G

V

F

R

R

T

N

Q

S

L

P

P

D

F

Y

L

V

A

K

Q

S

V

L

V

V

E

E

A

H

V

L

I

S

A

K

A

E

G

H

A

I

T

E

T

R

V

I

N

F

I

L

P
|
P

D

D

T
|
T

V

L

G

G

Y

V

T

L

V

S

P

P

F

E

E

E

Y

T

F

F

N

Q

I

G

I

V

K

D

Y

S

L

L

K

I

D

Q

N

K

V

Y

P

P

N

D

I

I

E

H

K

-

A

-

V

-

I

F

S

E

V

F

H
|
H

C

G

H
|
H

N

N

D

D

L

Y

G

D

L

L

S

S

V

V

A

A

N

N

S

S

I

L

A

Q

A

A

I

I

Q

R

A

A

G

G

A

V

G

K

Q

G

V

L

E

H

C

A

T

S

I

I

N

N

G

G

I

L

G

G

E

E

R

R

A

A

G

G

N

N

C

T

S

P

L

L

E

E

E

A

F

L

V

V

M

T

I

T

L

I

R

H

T

D

R

K

R

S

D

N

I

S

L

K

P

T

F

N

V

I

T

N

G

E

I

I

A

A

T

-

E

-

Q

-

L

I

T

T

P

E

A

A

S

S

R

R

L

L

L

V

T

E

N

V

I

F

T

S

G

G

I

K

A

R

V

I

Q

S

P

A

N

N

K

R

S

P

V

I

V

V

G

G

A

E

N

D

A

V

F

F

A

T

H

Q

E

T

A

A

G

G

I

V

H

N

Q

L

H

Y

active site: Q14 (= Q27)
binding acetyl coenzyme *a: Q14 (= Q27), R47 (≠ I59), V48 (≠ A60), E140 (vs. gap)
binding pyruvic acid: R10 (= R23), Y138 (≠ E148), P171 (= P180), T173 (= T182)
binding zinc ion: D11 (= D24), H201 (= H213), H203 (= H215)

3a9iA Crystal structure of homocitrate synthase from thermus thermophilus complexed with lys (see paper)
30% identity, 73% coverage: 13:392/519 of query aligns to 1:343/347 of 3a9iA

query
sites
3a9iA

R

R

T

E

I

W

K

K

I

I

F

I

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q

Q

A

F

P

E

G

K

N

A

S

N

M

F

N

S

I

T

E

Q

E

D

K

K

L

V

R

E

F

I

A

A

K

K

Q

A

L

L

Q

D

K

E

L

F

N

G

V

I

D

E

V

Y

I

I

E

E

A

V

G

T

F

T

P

P

I

V

A

A

S

S

E

-

G

-

D

-

F

-

E

-

A

-

V

-

K

-

V

-

A

P

Q

Q

S

S

I

R

K

K

G

D

P

A

E

E

I

V

A

L

-

A

-

S

-

L

G

G

L

L

C

K

R

A

S

K

N

V

L

V

K

T

D

H

I

I

D

Q

R

C

A

R

W

L

E

D

A

A

L

A

K

K

Y

V

A

A

G

V

E

E

K

T

G

G

-

V

-

Q

R

G

I

I

H
x
D

T

L

F

L

I

F

A

G

T

T

S

S

D

-

I

-

H

-

M

-

K

K

Y

Y

K

-

L

-

Q

-

M

L

E

D

P

I

A

P

Q

R

V

I

L

I

E

E

S

E

A

A

V

K

K

E

A

V

V

I

K

A

R

Y

A

I

A

R

G

E

Y

A

T

A

P

P

N

H

V

V

E

E

-

V

-

R

F

F

S
|
S

C

A

E

E

D

D

A

T

V

F

R

R

T

S

Q

E

L

E

P

Q

F

D

L

L

A

L

Q

A

V

V

V

Y

E

E

A

A

V

V

I

-

A

A

A

P

G

Y

A

V

T

D

T

R

V

V

N

G

I

L

P

A

D

D

T
|
T

V

V

G

G

Y

V

T

A

V

T

P

P

F

R

E

Q

Y

V

F

Y

N

A

I

L

I

V

K

R

Y

E

L

V

K

R

D

R

N

V

V

V

-

G

P

P

N

R

I

V

E

D

K

-

A

-

V

-

I

I

S

E

V

F

H
|
H

C

G

H
|
H

N

N

D

D

L

T

G

G

L

C

S

A

V

I

A

A

N

N

S

A

I

Y

A

E

A

A

I

I

Q

E

A

A

G

G

A

A

G

T

Q

H

V

V

E

D

C

T

T

T

I

I

N

L

G

G

I

I

G

G

E

E

R

R

A

N

G

G

N

I

C

T

S

P

L

L

E

G

F

F

V

L

M

A

I

R

L

M

R

Y

T

T

-

L

-

Q

-

P

-

E

-

Y

-

V

R

R

D

K

I

-

L

-

P

-

F

-

V

-

T

-

G

-

I

Y

A

K

T

L

E

E

Q

M

L

L

T

P

P

E

A

L

S

D

R

R

L

M

L

V

T

A

N

R

I

M

T

V

G

G

I

V

A

E

V

I

Q

P

P

F

N

N

K

N

S

Y

V

I

V

T

G

G

A

E

N

T

A

A

F

F

A

S

H

H

E

K

A

A

G

G

I

M

H

H

Q

L

H

K

G

A

M

I

L

Y

M

I

D

N

K

P

S

E

T

A

Y

Y

E

E

I

P

M

Y

T

P

P

P

E

E

S

V

V

F

G

G

L

-

T

-

A

-

S

-

A

-

L

-

V

V

L

K

G

G

K

L

H

H

S

Y

G

G

R

-

H

-

A

-

F

-

K

-

R

-

L

-

E

-

L

-

G

-

H

-

D

-

L

-

D

-

D

E

E

E

M

E

L

L

N

H

R

R

A

V

F

T

E

Q

R

H

F

I

K

K

A

A

L

L

A

A

D

D

L

-

K

R

K

G

E

Q

V

L

F

T

D

L

E

E

D

E

L

L

D

D

A

R

I

I

V

L

T

R

D

E

binding cobalt (ii) ion: E12 (≠ D24), H188 (= H213), H190 (= H215)
binding lysine: R11 (= R23), D91 (≠ H108), S128 (= S150), T159 (= T182), H188 (= H213), H190 (= H215)

2ztjA Crystal structure of homocitrate synthase from thermus thermophilus complexed with alpha-ketoglutarate (see paper)
30% identity, 63% coverage: 13:338/519 of query aligns to 2:311/312 of 2ztjA

query
sites
2ztjA

R

R

T

E

I

W

K

K

I

I

F

I

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q
|
Q

A

F

P

E

G

K

N

A

S

N

M

F

N

S

I

T

E

Q

E

D

K

K

L

V

R

E

F

I

A

A

K

K

Q

A

L

L

Q

D

K

E

L

F

N

G

V

I

D

E

V

Y

I

I

E

E

A

V

G

T

F

T

P

P

I

V

A

A

S

S

E

-

G

-

D

-

F

-

E

-

A

-

V

-

K

-

V

-

A

P

Q

Q

S

S

I

R

K

K

G

D

P

A

E

E

I

V

A

L

-

A

-

S

-

L

G

G

L

L

C

K

R

A

S

K

N

V

L

V

K

T

D
x
H

I

I

D

Q

R

C

A

R

W

L

E

D

A

A

L

A

K

K

Y

V

A

A

G

V

E

E

K

T

G

G

R

-

I

-

H

-

T

-

F

-

I

-

A

-

T

V

S

Q

D

G

I

I

H

D

M

L

K
x
L

Y

F

K

G

L

T

Q

G

M

R

E

D

P

I

A

P

Q

R

V

I

L

I

E

E

S

E

A

A

V

K

K

E

A

V

V

I

K

A

R

Y

A

I

A

R

G

E

Y

A

T

A

P

P

N

H

V

V

E

E

-

V

-
x
R

F

F

S

S

C

A

E

E

D

D

A

T

V

F

R

R

T

S

Q

E

L

E

P

Q

F

D

L

L

A

L

Q

A

V

V

V

Y

E

E

A

A

V

V

I

-

A

A

A

P

G

Y

A

V

T

D

T

R

V

V

N

G

I

L

P
x
A

D

D

T
|
T

V

V

G

G

Y

V

T

A

V

T

P

P

F

R

E

Q

Y

V

F

Y

N

A

I

L

I

V

K

R

Y

E

L

V

K

R

D

R

N

V

V

V

-

G

P

P

N

R

I

V

E

D

K

-

A

-

V

-

I

I

S

E

V

F

H
|
H

C

G

H
|
H

N

N

D

D

L

T

G

G

L

C

S

A

V

I

A

A

N

N

S

A

I

Y

A

E

A

A

I

I

Q

E

A

A

G

G

A

A

G

T

Q

H

V

V

E

D

C

T

T

T

I

I

N

L

G

G

I

I

G

G

E

E

R

R

A

N

G

G

N

I

C

T

S

P

L

L

E

G

F

F

V

L

M

A

I

R

L

M

R

Y

T

T

-

L

-

Q

-

P

-

E

-

Y

-

V

R

R

D

K

I

-

L

-

P

-

F

-

V

-

T

-

G

-

I

Y

A

K

T

L

E

E

Q

M

L

L

T

P

P

E

A

L

S

D

R

R

L

M

L

V

T

A

N

R

I

M

T

V

G

G

I

V

A

E

V

I

Q

P

P

F

N

N

K

N

S

Y

V

I

V

T

G

G

A

E

N

T

A

A

F

F

A

S

H

H

E

K

A

A

G

G

I

M

H

H

Q

L

H

K

G

A

M

I

L

Y

M

I

D

N

K

P

S

E

T

A

Y

Y

E

E

I

P

M

Y

T

P

P

P

E

E

S

V

V

F

G

G

L

V

T

K

A

R

S

K

A

L

L

I

V

I

active site: Q16 (= Q27)
binding 2-oxoglutaric acid: R12 (= R23), H72 (≠ D90), L94 (≠ K119), R125 (vs. gap), A156 (≠ P180), T158 (= T182), H187 (= H213), H189 (= H215)
binding copper (ii) ion: E13 (≠ D24), H187 (= H213), H189 (= H215)

2zyfA Crystal structure of homocitrate synthase from thermus thermophilus complexed with magnesuim ion and alpha-ketoglutarate (see paper)
30% identity, 63% coverage: 13:338/519 of query aligns to 2:313/314 of 2zyfA

query
sites
2zyfA

R

R

T

E

I

W

K

K

I

I

F

I

D

D

T

S

T

T

L

L

R
|
R

D
x
E

G

G

E

E

Q
|
Q

A

F

P

E

G

K

N

A

S

N

M

F

N

S

I

T

E

Q

E

D

K

K

L

V

R

E

F

I

A

A

K

K

Q

A

L

L

Q

D

K

E

L

F

N

G

V

I

D

E

V

Y

I

I

E

E

A

V

G

T

F

T

P

P

I

V

A

A

S

S

E

-

G

-

D

-

F

-

E

-

A

-

V

-

K

-

V

-

A

P

Q

Q

S

S

I

R

K

K

G

D

P

A

E

E

I

V

A

L

-

A

-

S

-

L

G

G

L

L

C

K

R

A

S

K

N

V

L

V

K

T

D
x
H

I

I

D

Q

R

C

A

R

W

L

E

D

A

A

L

A

K

K

Y

V

A

A

G

V

E

E

K

T

G

G

R

-

I

-

H

-

T

-

F

-

I

V

A

Q

T

G

S

I

D

D

I

L

H
x
L

M

F

K

G

Y

T

K

S

L

K

Q

G

M

R

E

D

P

I

A

P

Q

R

V

I

L

I

E

E

S

E

A

A

V

K

K

E

A

V

V

I

K

A

R

Y

A

I

A

R

G

E

Y

A

T

A

P

P

N

H

V

V

E

E

-

V

-
x
R

F

F

S

S

C

A

E

E

D

D

A

T

V

F

R

R

T

S

Q

E

L

E

P

Q

F

D

L

L

A

L

Q

A

V

V

V

Y

E

E

A

A

V

V

I

-

A

A

A

P

G

Y

A

V

T

D

T

R

V

V

N

G

I

L

P

A

D

D

T
|
T

V

V

G

G

Y

V

T

A

V

T

P

P

F

R

E

Q

Y

V

F

Y

N

A

I

L

I

V

K

R

Y

E

L

V

K

R

D

R

N

V

V

V

-

G

P

P

N

R

I

V

E

D

K

-

A

-

V

-

I

I

S

E

V

F

H
|
H

C

G

H
|
H

N

N

D

D

L

T

G

G

L

C

S

A

V

I

A

A

N

N

S

A

I

Y

A

E

A

A

I

I

Q

E

A

A

G

G

A

A

G

T

Q

H

V

V

E

D

C

T

T

T

I

I

N

L

G

G

I

I

G

G

E

E

R

R

A

N

G

G

N

I

C

T

S

P

L

L

E

G

F

F

V

L

M

A

I

R

L

M

R

Y

T

T

-

L

-

Q

-

P

-

E

-

Y

-

V

R

R

D

K

I

-

L

-

P

-

F

-

V

-

T

-

G

-

I

Y

A

K

T

L

E

E

Q

M

L

L

T

P

P

E

A

L

S

D

R

R

L

M

L

V

T

A

N

R

I

M

T

V

G

G

I

V

A

E

V

I

Q

P

P

F

N

N

K

N

S

Y

V

I

V

T

G

G

A

E

N

T

A

A

F

F

A

S

H

H

E

K

A

A

G

G

I

M

H

H

Q

L

H

K

G

A

M

I

L

Y

M

I

D

N

K

P

S

E

T

A

Y

Y

E

E

I

P

M

Y

T

P

P

P

E

E

S

V

V

F

G

G

L

V

T

K

A

R

S

K

A

L

L

I

V

I

active site: Q16 (= Q27)
binding 2-oxoglutaric acid: R12 (= R23), H72 (≠ D90), L94 (≠ H117), R127 (vs. gap), T160 (= T182), H189 (= H213)
binding magnesium ion: E13 (≠ D24), H189 (= H213), H191 (= H215)

3hq1A Crystal structure of mycobacterium tuberculosis leua complexed with citrate and mn2+
25% identity, 94% coverage: 22:507/519 of query aligns to 62:571/573 of 3hq1A

query
sites
3hq1A

L

L

R

R

D
|
D

G

G

E

N

Q

Q

A

A

P

L

G

I

N

D

S

P

M

M

N

S

I

P

E

A

E

R

K

K

L

R

R

R

F

M

A

F

K

D

Q

L

L

L

Q

V

K

R

L

M

N

G

V

Y

D

K

V

E

I

I

E

E

A

V

G

G

F

F

P

P

I

S

A

A

S

S

E

Q

G

T

D

D

F

F

E

D

A

F

V

V

K

R

K

E

V

I

A

I

Q

E

S

Q

I

G

K

A

G

I

P

P

-

D

-

V

-

T

-

I

E

Q

I

V

A

L

G

T

L

Q

C

C

R

R

S

P

N

E

L

L

K

-

D

-

I

I

D

E

R

R

A

T

W

F

E

Q

A

A

L

C

K

S

Y

G

A

A

G

-

E

P

K

R

G

A

R

I

I

V

H

H

T

F

F

Y

I

N

A

S

T

T

S

S

D

I

I

L

H

Q

M

R

K

R

Y

V

K

V

L

F

Q

R

M

A

E

N

P

R

A

A

Q

E

V

V

-

Q

-

A

-

I

-

A

L

T

E

D

S

G

A

A

V

R

K

K

A

C

V

V

K

E

R

Q

A

A

G

K

Y

Y

T

P

-

G

-

T

-

Q

P

W

N

R

V

F

E

E

F

Y

S

S

C

P

E

E

D

S

A

Y

V

T

R

G

T

T

Q

E

L

L

P

E

F

Y

L

A

A

K

Q

Q

V

V

V

C

E

D

A

A

V

V

I

G

A

E

A

V

G

I

A

A

T

P

T

T

-

P

-

E

-

R

-

P

-

I

V

F

N

N

I

L

P

P

D

A

T

T

V

V

G

E

Y

M

T

T

V

T

P

P

F

N

E

V

Y

Y

F

A

N

D

I

S

I

I

K

E

Y

W

L

M

K

S

D

R

N

N

V

L

P

A

N

N

I

R

E

E

K

S

A

V

V

I

I

L

S

S

V

L

H
|
H

C

P

H
|
H

N

N

D

D

L

R

G

G

L

T

S

A

V

V

A

A

N

A

S

A

I

E

A

L

A

G

I

F

Q

A

A

A

G

G

A

A

G

D

Q

R

V

I

E

E

C

G

T

C

I

L

N

F

G

G

I

N

G

G

E

E

R

R

A

T

G

G

N
|
N

C

V

S

C

L

L

E

V

E

T

F

L

V

G

M

L

I

N

L

L

R

F

T

S

R

-

R

R

D

G

I

V

L

D

P

P

F

Q

V

I

T

D

G

F

I

S

A

N

T

I

E

D

Q

E

L

I

T

-

P

-

A

-

S

R

R

R

L

T

L

V

T

E

N

Y

I

C

T

N

G

Q

I

L

A

P

V

V

Q

H

P

E

N

R

K

H

S

P

V

Y

V

G

G

G

A

D

N

L

A

V

F

Y

A

T

H

A

E

F

A

S

G

G

I

S

H

H

Q

Q

H

D

G

A

M

I

-

N

-

K

-

G

-

L

-

D

-

A

-

M

-

K

-

L

-

D

-

A

-

D

-

A

-

D

-

C

-

D

-

V

-

D

L

M

M

L

D

W

K

Q

S

V

T

P

Y

Y

E

L

I

P

M

I

T

D

P

P

E

R

S

D

V

V

G

G

L

R

T

T

A

Y

S

E

A

A

L

V

V

I

L

K

G

G

-

G

-

V

-

A

-

Y

-

I

-

M

K

K

H

T

S

D

G

H

R

G

H

L

A

S

F

L

K

P

K

R

R

R

L

L

E

Q

E

-

L

-

G

-

H

-

D

-

L

-

D

-

E

I

M

E

L

F

N

S

R

Q

A

V

F

I

E

Q

R

K

F

I

K

E

A

V

L

S

A

P

D

K

L

E

K

M

K

W

E

D

V

A

F

F

D

A

E

E

D

E

L

Y

D

L

A

A

I

P

V

V

T

R

D

P

E

L

S

E

R

R

E

I

E

R

D

-

Q

-

Y

-

K

-

L

-

E

Q

H

H

I

V

T

D

V

A

T

A

C

D

G

D

S

D

F

G

A

G

V

T

A

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A

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M

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K

I

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N

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I

A

S

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G

L

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G

G

D

N

G

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P

P

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L

D

A

S

A

A

F

F

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K

H

A

A

I

L

R

A

K

D

L

V

T

G

K

F

T

D

K

V

A

A

K

V

L

L

T

D

Q

Y

Y

Y

N

E

V

-

G

H

S

A

I

M

T

S

G

A

G

G

T

D

D

D

A

A

Q

Q

G

A

-

A

-

Y

-

V

E

E

V

A

T

S

V

V

R

T

V

I

E

S

E

K

G

-

H

-

T

T

V

V

V

W

G

G

K

V

G

G

A

I

S

A

T

P

D

S

I

I

I

T

V

T

A

A

S

S

A

L

K

R

A

A

Y

V

I

V

H

S

A

A

L

V

N

N

R

R

binding manganese (ii) ion: D64 (= D24), H268 (= H213), H270 (= H215), N304 (= N249)

1sr9A Crystal structure of leua from mycobacterium tuberculosis (see paper)
25% identity, 94% coverage: 22:507/519 of query aligns to 62:571/573 of 1sr9A

query
sites
1sr9A

L

L

R
|
R

D
|
D

G

G

E

N

Q

Q

A

A

P

L

G

I

N

D

S

P

M

M

N

S

I

P

E

A

E

R

K

K

L

R

R

R

F

M

A

F

K

D

Q

L

L

L

Q

V

K

R

L

M

N

G

V

Y

D

K

V

E

I

I

E

E

A

V

G

G

F

F

P

P

I

S

A

A

S

S

E

Q

G

T

D

D

F

F

E

D

A

F

V

V

K

R

K

E

V

I

A

I

Q

E

S

Q

I

G

K

A

G

I

P

P

-

D

-

V

-

T

-

I

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Q

I

V

A

L

G

T

L

Q

C

C

R

R

S

P

N

E

L

L

K

-

D

-

I

I

D

E

R

R

A

T

W

F

E

Q

A

A

L

C

K

S

Y

G

A

A

G

-

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P

K

R

G

A

R

I

I

V

H

H

T

F

F

Y

I

N

A

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T

T

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S

D

I

I

L

H

Q

M

R

K

R

Y

V

K

V

L

F

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R

M

A

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N

P

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A

A

Q

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V

V

-

Q

-

A

-

I

-

A

L

T

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D

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G

A

A

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R

K

K

A

C

V

V

K

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Q

A

A

G

K

Y

Y

T

P

-

G

-

T

-

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P

W

N

R

V

F

E

E

F

Y

S

S

C

P

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E

D

S

A

Y

V

T

R

G

T

T

Q

E

L

L

P

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F

Y

L

A

A

K

Q

Q

V

V

V

C

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D

A

A

V

V

I

G

A

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A

V

G

I

A

A

T

P

T

T

-

P

-

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-

R

-

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-

I

V

F

N

N

I

L

P
|
P

D

A

T
|
T

V

V

G

E

Y

M

T

T

V

T

P

P

F

N

E

V

Y

Y

F

A

N

D

I

S

I

I

K

E

Y

W

L

M

K

S

D

R

N

N

V

L

P

A

N

N

I

R

E

E

K

S

A

V

V

I

I

L

S

S

V

L

H
|
H

C

P

H
|
H

N

N

D

D

L

R

G

G

L

T

S

A

V

V

A

A

N

A

S

A

I

E

A

L

A

G

I

F

Q

A

A

A

G

G

A

A

G

D

Q

R

V

I

E

E

C

G

T

C

I

L

N

F

G

G

I

N

G

G

E

E

R

R

A

T

G

G

N

N

C

V

S

C

L

L

E

V

E

T

F

L

V

G

M

L

I

N

L

L

R

F

T

S

R

-

R

R

D

G

I

V

L

D

P

P

F

Q

V

I

T

D

G

F

I

S

A

N

T

I

E

D

Q

E

L

I

T

-

P

-

A

-

S

R

R

R

L

T

L

V

T

E

N

Y

I

C

T

N

G

Q

I

L

A

P

V

V

Q

H

P

E

N

R

K

H

S

P

V

Y

V

G

G

G

A

D

N

L

A

V

F

Y

A

T

H

A

E

F

A

S

G

G

I

S

H

H

Q

Q

H

D

G

A

M

I

-

N

-

K

-

G

-

L

-

D

-

A

-

M

-

K

-

L

-

D

-

A

-

D

-

A

-

D

-

C

-

D

-

V

-

D

L

M

M

L

D

W

K

Q

S

V

T

P

Y

Y

E

L

I

P

M

I

T

D

P

P

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R

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D

V

V

G

G

L

R

T

T

A

Y

S

E

A

A

L

V

V

I

L

K

G

G

-

G

-

V

-

A

-

Y

-

I

-

M

K

K

H

T

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D

G

H

R

G

H

L

A

S

F

L

K

P

K

R

R

R

L

L

E

Q

E

-

L

-

G

-

H

-

D

-

L

-

D

-

E

I

M

E

L

F

N

S

R

Q

A

V

F

I

E

Q

R

K

F

I

K

E

A

V

L

S

A

P

D

K

L

E

K

M

K

W

E

D

V

A

F

F

D

A

E

E

D

E

L

Y

D

L

A

A

I

P

V

V

T

R

D

P

E

L

S

E

R

R

E

I

E

R

D

-

Q

-

Y

-

K

-

L

-

E

Q

H

H

I

V

T

D

V

A

T

A

C

D

G

D

S

D

F

G

A

G

V

T

A

T

T

S

A

I

T

T

V

A

Q

T

M

V

E

K

I

I

N

N

G

G

K

V

P

E

V

T

R

E

T

I

A

S

E

G

L

S

G

G

D

N

G

G

P

P

V

L

D

A

S

A

A

F

F

V

K

H

A

A

I

L

R

A

K

D

L

V

T

G

K

F

T

D

K

V

A

A

K

V

L

L

T

D

Q

Y

Y

Y

N

E

V

-

G

H

S

A

I

M

T

S

G

A

G

G

T

D

D

D

A

A

Q

Q

G

A

-

A

-

Y

-

V

E

E

V

A

T

S

V

V

R

T

V

I

E

S

E

K

G

-

H

-

T

T

V

V

V

W

G

G

K

V

G

G

A

I

S

A

T

P

D

S

I

I

I

T

V

T

A

A

S

S

A

L

K

R

A

A

Y

V

I

V

H

S

A

A

L

V

N

N

R

R

binding 3-methyl-2-oxobutanoic acid: R63 (= R23), P235 (= P180), T237 (= T182), H268 (= H213), H270 (= H215)
binding zinc ion: D64 (= D24), H268 (= H213), H270 (= H215)

Query Sequence

>WP_012471355.1 NCBI__GCF_000020385.1:WP_012471355.1
MAKAKQSTKDETRTIKIFDTTLRDGEQAPGNSMNIEEKLRFAKQLQKLNVDVIEAGFPIA
SEGDFEAVKKVAQSIKGPEIAGLCRSNLKDIDRAWEALKYAGEKGRIHTFIATSDIHMKY
KLQMEPAQVLESAVKAVKRAAGYTPNVEFSCEDAVRTQLPFLAQVVEAVIAAGATTVNIP
DTVGYTVPFEYFNIIKYLKDNVPNIEKAVISVHCHNDLGLSVANSIAAIQAGAGQVECTI
NGIGERAGNCSLEEFVMILRTRRDILPFVTGIATEQLTPASRLLTNITGIAVQPNKSVVG
ANAFAHEAGIHQHGMLMDKSTYEIMTPESVGLTASALVLGKHSGRHAFKKRLEELGHDLD
DEMLNRAFERFKALADLKKEVFDEDLDAIVTDESREEDQYKLEHITVTCGSFAVATATVQ
MEINGKPVRTAELGDGPVDSAFKAIRKLTKTKAKLTQYNVGSITGGTDAQGEVTVRVEEG
GHTVVGKGASTDIIVASAKAYIHALNRLHCKQKRLTDAV

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