SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Ac3H11_1527 FitnessBrowser__acidovorax_3H11:Ac3H11_1527 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 15 hits to proteins with known functional sites (download)

O14289 3-isopropylmalate dehydratase; Alpha-IPM isomerase; IPMI; Isopropylmalate isomerase; EC 4.2.1.33 from Schizosaccharomyces pombe (strain 972 / ATCC 24843) (Fission yeast) (see paper)
53% identity, 96% coverage: 3:215/221 of query aligns to 539:734/758 of O14289

query
sites
O14289

K

K

F

F

T

T

V

V

H

V

K

E

G

G

L

I

V

A

A

A

P

P

M

L

D

P

R

M

E

A

N

N

V

V

D

D

T

T

D

D

A

K

I

I

P

P

K

K

Q

Q

F

F

L

L

K

K

S

T

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I

K

K

K

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T

G

G

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G

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N

F

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A

F

F

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Y

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E

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I

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R

Y

Y

L

D

D

A

K

D

G

G

E

-

P

-

G

-

I

-

P

-

E

-

S

-

A

-

R

-

K

K

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E

N

I

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D

F

F

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V

L

L

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N

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Y

Y

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A

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A

A

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H

K

D

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N

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F

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C

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E

H

H

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A

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A

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S

F

F

A

A

D

D

I

I

F

F

N

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C

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F

K

K

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N

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G

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E

-

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A

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A

A

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L

E

A

E

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N

K

F

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P

W

W

L

M

Sites not aligning to the query:

486 modified: Phosphoserine
488 modified: Phosphoserine

P9WK95 3-isopropylmalate dehydratase small subunit; Alpha-IPM isomerase; IPMI; Isopropylmalate isomerase; EC 4.2.1.33 from Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv) (see paper)
41% identity, 96% coverage: 1:213/221 of query aligns to 1:192/198 of P9WK95

query
sites
P9WK95

M

M

Q

E

K

A

F

F

T

H

V

T

H

H

K

S

G

G

L

I

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A

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P

M

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N

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V

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D

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A

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F

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L

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K

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K

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K

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T

G

G

F

F

G

E

P

D

N

G

L

L

F

F

D

A

E

G

W

W

R

R

Y

-

L

-

D

-

K

-

G

-

E

-

P

-

G

-

I

-

P

-

E

-

S

-

A

-

R

-

K

-

P

S

N

D

P

P

D

A

F

F

V

V

L

L

N

N

L

L

P

S

R

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Y

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K

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G

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S

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A

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D

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E

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F

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x
K

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A

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K

P

P

K154 (≠ D175) modified: Isoglutamyl lysine isopeptide (Lys-Gln) (interchain with Q-Cter in protein Pup)

Q58667 Methanogen homoaconitase small subunit; HACN; Homoaconitate hydratase; EC 4.2.1.114 from Methanocaldococcus jannaschii (strain ATCC 43067 / DSM 2661 / JAL-1 / JCM 10045 / NBRC 100440) (Methanococcus jannaschii) (see paper)
34% identity, 71% coverage: 17:173/221 of query aligns to 12:139/170 of Q58667

query
sites
Q58667

E

D

N

D

V

V

D

D

T

T

D

D

A

A

I

I

P

P

K

G

Q

P

F

Y

L

L

K
x
R

S
x
T

I

T

K

-

T

-

G

-

F

-

G

-

P

-

N

-

L

-

F

-

D

D

E

P

W

Y

R

E

Y

L

L

A

D

S

K

H

G

C

E

M

P

A

G

G

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I

P

D

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E

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-

A

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-

K

-

P

-

N

-

P

-

D

-

F

-

V

-

L

-

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N

L

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P

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K

Y

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K

K

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E

A

G

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A

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K

E

N

N

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G

C

C

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G

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S

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E

H

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A

A

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Y

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C

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G

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K

S

S

F

F

A

A

D

R

I

I

F

F

F

Y

N

R

N

N

C

A

F

I

K

N

N

V

G

G

L

L

L

I

P

P

I

I

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I

L

-

P

-

E

-

A

A

T

N

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A

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E

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K

D

D

E

-

V

-

A

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F

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-

G

G

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E

I

I

D

D

L

L

E

D

R

K

Q

E

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E

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I

V

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R

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Q

T

N

N

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K

D

N

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E

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P

R26 (≠ K31) mutation R->K,V: Allows the recognition of substrates of IPMI enzymes since it becomes able to efficiently catalyze citraconate hydration and 3-isopropylmalate dehydration. Largely decreases substrate affinity for cis-homo(1-3)-aconitate.
T27 (≠ S32) mutation to A: Largely decreases substrate affinity for cis-homo(1-3)-aconitate while slightly increases activity on these substrates, and also decreases substrate affinity for maleate. Gains the ability to hydrate citraconate, an IPMI substrate.

2pkpA Crystal structure of 3-isopropylmalate dehydratase (leud)from methhanocaldococcus jannaschii dsm2661 (mj1271) (see paper)
34% identity, 71% coverage: 17:173/221 of query aligns to 12:139/167 of 2pkpA

query
sites
2pkpA

E

D

N
x
D

V

V

D

D

T

T

D

D

A

A

I

I

P

P

K

G

Q

P

F

Y

L

L

K

R

S

T

I

T

K

-

T

-

G

-

F

-

G

-

P

-

N

-

L

-

F

-

D

D

E

P

W

Y

R

E

Y

L

L

A

D

S

K

H

G

C

E

M

P

A

G

G

I

I

P

D

E

E

S

-

A

-

R

-

K

-

P

-

N

-

P

-

D

-

F

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V

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L

-

N

N

L

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K

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K

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E

A

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D

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A

A

R

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K

E

N

N

F

F

G

G

C
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C

G

G

S

S

R

R

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E

H

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A

A

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I

A

A

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Y

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C

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G

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A

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S

F

F

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F

F

Y

N

R

N

N

C

A

F

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K

N

N

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G

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L

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P

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P

binding zinc ion: D13 (≠ N18), C63 (= C88)

P20004 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Bos taurus (Bovine) (see 2 papers)
39% identity, 32% coverage: 63:132/221 of query aligns to 642:711/780 of P20004

query
sites
P20004

P

P

N

V

P

P

D

D

F

T

V

A

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R

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Y

L

Y

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L

V

I

I

A

G

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D

K

E

N

N

F

Y

G

G

C

E

G

G

S

S

S
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S

R
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R

E

E

H

H

A

A

P

A

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L

A

E

L

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D

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H

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S

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E

N

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G

G

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A

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D

SR 670:671 (= SR 91:92) binding

Sites not aligning to the query:

99 binding
192:194 binding
385 binding
448 binding
451 binding
474 binding
479 binding
607 binding

5acnA Structure of activated aconitase. Formation of the (4fe-4s) cluster in the crystal (see paper)
37% identity, 32% coverage: 63:132/221 of query aligns to 615:684/754 of 5acnA

query
sites
5acnA

P

P

N

V

P

P

D

D

F

T

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A

L

R

N

Y

L

Y

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Y

H

K

G

G

I

A

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I

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V

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I

A

G

R

D

K

E

N

N

F

Y

G

G

C

E

G

G

S
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S

S

S

R
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R

E

E

H

H

A

S

P

A

W

L

A

E

L

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Q

H

F

L

G

G

F

G

R

R

A

A

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I

I

I

A

T

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K

S

S

F

F

A

A

D
x
R

I

I

F

H

F

E

N

T

N

N

C

L

F

K

K

K

N

Q

G

G

L

L

P

P

I

L

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T

L

F

P

A

E

D

active site: S642 (= S90), R644 (= R92)
binding tricarballylic acid: R666 (≠ D114)

Sites not aligning to the query:

active site: 100, 101, 165, 447
binding fe3-s4 cluster: 145, 147, 167, 358, 421, 424, 446
binding tricarballylic acid: 198, 235

P16276 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Sus scrofa (Pig) (see 3 papers)
37% identity, 32% coverage: 63:132/221 of query aligns to 642:711/781 of P16276

query
sites
P16276

P

P

N

V

P

P

D

D

F

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V

A

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Y

L

Y

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K

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H

K

G

G

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I

A

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K

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N

N

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G

S

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S
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R

E

E

H

H

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A

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A

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H

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S

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A

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I

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G

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A

E

D

SR 670:671 (= SR 91:92) binding

Sites not aligning to the query:

28 modified: Pyrrolidone carboxylic acid
99 binding
192:194 binding
385 binding
448 binding
451 binding
474 binding
479 binding
607 binding

1b0kA S642a:fluorocitrate complex of aconitase (see paper)
36% identity, 32% coverage: 63:132/221 of query aligns to 614:683/753 of 1b0kA

query
sites
1b0kA

P

P

N

V

P

P

D

D

F

T

V

A

L

R

N

Y

L

Y

P

K

R

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Y

H

K

G

G

I

A

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W

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V

I

I

A

G

R

D

K

E

N

N

F

Y

G

G

C

E

G

G

S
x
A

S
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S

R
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R

E

E

H

H

A

S

P

A

W

L

A

E

L

P

D

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Q

H

F

L

G

G

F

G

R

R

A

A

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I

I

I

A

T

P

K

S

S

F

F

A

A

D

R

I

I

F

H

F

E

N

T

N

N

C

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F

K

K

K

N

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G

G

L

L

P

P

I

L

V

T

L

F

P

A

E

D

active site: A641 (≠ S90), R643 (= R92)
binding citrate anion: A641 (≠ S90), S642 (= S91), R643 (= R92)

Sites not aligning to the query:

active site: 99, 100, 164, 446
binding citrate anion: 71, 100, 164, 165, 446, 451, 579
binding oxygen atom: 164, 166
binding iron/sulfur cluster: 100, 164, 166, 356, 357, 420, 423

8acnA Crystal structures of aconitase with isocitrate and nitroisocitrate bound (see paper)
37% identity, 32% coverage: 63:132/221 of query aligns to 614:683/753 of 8acnA

query
sites
8acnA

P

P

N

V

P

P

D

D

F

T

V

A

L

R

N

Y

L

Y

P

K

R

Q

Y

H

K

G

G

I

A

R

S

W

I

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L

V

I

I

A

G

R

D

K

E

N

N

F

Y

G

G

C

E

G

G

S
|
S

R
|
R

E

E

H

H

A

S

P

A

W

L

A

E

L

P

D

R

Q

F

F

L

G

G

F

G

R

R

A

A

V

I

I

I

A

T

P

K

S

S

F

F

A

A

D

R

I

I

F

H

F

E

N

T

N

N

C

L

F

K

K

K

N

Q

G

G

L

L

P

P

I

L

V

T

L

F

P

A

E

D

active site: S641 (= S90), R643 (= R92)
binding nitroisocitric acid: S641 (= S90), S642 (= S91), R643 (= R92)

Sites not aligning to the query:

active site: 99, 100, 164, 446
binding nitroisocitric acid: 71, 74, 100, 164, 165, 446, 451, 579
binding iron/sulfur cluster: 100, 164, 166, 356, 357, 420, 423, 424

1fghA Complex with 4-hydroxy-trans-aconitate (see paper)
37% identity, 32% coverage: 63:132/221 of query aligns to 614:683/753 of 1fghA

query
sites
1fghA

P

P

N

V

P

P

D

D

F

T

V

A

L

R

N

Y

L

Y

P

K

R

Q

Y

H

K

G

G

I

A

R

S

W

I

V

L

V

I

I

A

G

R

D

K

E

N

N

F

Y

G

G

C

E

G

G

S
|
S

R
|
R

E

E

H

H

A

S

P

A

W

L

A

E

L

P

D

R

Q

F

F

L

G

G

F

G

R

R

A

A

V

I

I

I

A

T

P

K

S

S

F

F

A

A

D

R

I

I

F

H

F

E

N

T

N

N

C

L

F

K

K

K

N

Q

G

G

L

L

P

P

I

L

V

T

L

F

P

A

E

D

active site: S641 (= S90), R643 (= R92)
binding 4-hydroxy-aconitate ion: S641 (= S90), S642 (= S91), R643 (= R92)

Sites not aligning to the query:

active site: 99, 100, 164, 446
binding 4-hydroxy-aconitate ion: 71, 74, 100, 164, 165, 446, 451, 579
binding iron/sulfur cluster: 100, 164, 166, 356, 357, 420, 423, 424, 451

1amjA Steric and conformational features of the aconitase mechanism (see paper)
37% identity, 32% coverage: 63:132/221 of query aligns to 614:683/753 of 1amjA

query
sites
1amjA

P

P

N

V

P

P

D

D

F

T

V

A

L

R

N

Y

L

Y

P

K

R

Q

Y

H

K

G

G

I

A

R

S

W

I

V

L

V

I

I

A

G

R

D

K

E

N

N

F

Y

G

G

C

E

G

G

S
|
S

S

S

R
|
R

E

E

H

H

A

S

P

A

W

L

A

E

L

P

D

R

Q

F

F

L

G

G

F

G

R

R

A

A

V

I

I

I

A

T

P

K

S

S

F

F

A

A

D

R

I

I

F

H

F

E

N

T

N

N

C

L

F

K

K

K

N

Q

G

G

L

L

P

P

I

L

V

T

L

F

P

A

E

D

active site: S641 (= S90), R643 (= R92)
binding sulfate ion: R643 (= R92)

Sites not aligning to the query:

active site: 99, 100, 164, 446
binding iron/sulfur cluster: 144, 166, 357, 420, 423
binding sulfate ion: 71, 579

1amiA Steric and conformational features of the aconitase mechanism (see paper)
37% identity, 32% coverage: 63:132/221 of query aligns to 614:683/753 of 1amiA

query
sites
1amiA

P

P

N

V

P

P

D

D

F

T

V

A

L

R

N

Y

L

Y

P

K

R

Q

Y

H

K

G

G

I

A

R

S

W

I

V

L

V

I

I

A

G

R

D

K

E

N

N

F

Y

G

G

C

E

G

G

S
|
S

R
|
R

E

E

H

H

A

S

P

A

W

L

A

E

L

P

D

R

Q

F

F

L

G

G

F

G

R

R

A

A

V

I

I

I

A

T

P

K

S

S

F

F

A

A

D

R

I

I

F

H

F

E

N

T

N

N

C

L

F

K

K

K

N

Q

G

G

L

L

P

P

I

L

V

T

L

F

P

A

E

D

active site: S641 (= S90), R643 (= R92)
binding alpha-methylisocitric acid: S641 (= S90), S642 (= S91), R643 (= R92)

Sites not aligning to the query:

active site: 99, 100, 164, 446
binding alpha-methylisocitric acid: 71, 74, 100, 164, 165, 446, 451, 579
binding iron/sulfur cluster: 100, 144, 164, 166, 356, 357, 420, 423, 445

1acoA Crystal structure of aconitase with transaconitate bound (see paper)
37% identity, 32% coverage: 63:132/221 of query aligns to 614:683/753 of 1acoA

query
sites
1acoA

P

P

N

V

P

P

D

D

F

T

V

A

L

R

N

Y

L

Y

P

K

R

Q

Y

H

K

G

G

I

A

R

S

W

I

V

L

V

I

I

A

G

R

D

K

E

N

N

F

Y

G

G

C

E

G

G

S
|
S

R
|
R

E

E

H

H

A

S

P

A

W

L

A

E

L

P

D

R

Q

F

F

L

G

G

F

G

R

R

A

A

V

I

I

I

A

T

P

K

S

S

F

F

A

A

D

R

I

I

F

H

F

E

N

T

N

N

C

L

F

K

K

K

N

Q

G

G

L

L

P

P

I

L

V

T

L

F

P

A

E

D

active site: S641 (= S90), R643 (= R92)
binding aconitate ion: S641 (= S90), S642 (= S91), R643 (= R92)

Sites not aligning to the query:

active site: 99, 100, 164, 446
binding iron/sulfur cluster: 100, 144, 164, 166, 356, 357, 420, 423, 445
binding aconitate ion: 71, 164, 165, 446, 451, 579

1nisA Crystal structure of aconitase with trans-aconitate and nitrocitrate bound (see paper)
37% identity, 32% coverage: 63:132/221 of query aligns to 614:683/753 of 1nisA

query
sites
1nisA

P

P

N

V

P

P

D

D

F

T

V

A

L

R

N

Y

L

Y

P

K

R

Q

Y

H

K

G

G

I

A

R

S

W

I

V

L

V

I

I

A

G

R

D

K

E

N

N

F

Y

G

G

C

E

G

G

S
|
S

R
|
R

E

E

H

H

A

R

P

A

W

L

A

E

L

P

D

R

Q

F

F

L

G

G

F

G

R

R

A

A

V

I

I

I

A

T

P

K

S

S

F

F

A

A

D

R

I

I

F

H

F

E

N

T

N

N

C

L

F

K

K

K

N

Q

G

G

L

L

P

P

I

L

V

T

L

F

P

A

E

D

active site: S641 (= S90), R643 (= R92)
binding 2-hydroxy-2-nitromethyl succinic acid: S641 (= S90), S642 (= S91)

Sites not aligning to the query:

active site: 99, 100, 164, 446
binding 2-hydroxy-2-nitromethyl succinic acid: 71, 100, 164, 165, 446, 451, 579
binding iron/sulfur cluster: 100, 144, 166, 356, 357, 420, 423

P19414 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast) (see 2 papers)
41% identity, 33% coverage: 55:128/221 of query aligns to 639:704/778 of P19414

query
sites
P19414

G

G

I

V

P

P

E

D

S

T

A

A

R

R

K

-

P

-

N

-

P

-

D

D

F

Y

V

-

L

-

N

-

L

-

P

-

R

R

Y

D

K

Q

G

G

A

I

S

K

-

W

I

V

L

V

I

I

A

G

R

D

K

E

N

N

F

F

G

G

C

E

G

G

S

S

R

R

E

E

H

H

A

A

P

A

W

L

A

E

L

P

D

R

Q

F

F

L

G

G

F

G

R

F

A

A

V

I

I

I

A

T

P

K

S

S

F

F

A

A

D

R

I

I

F

H

F

E

N

T

N

N

C

L

F

K

K

K

N

Q

G

G

L

L

P

P

I

L

Sites not aligning to the query:

1:16 modified: transit peptide, Mitochondrion
604 R→K: Strongly diminishes the catalytic activity towards both known substrates, aconitate and homoaconitate.

Query Sequence

>Ac3H11_1527 FitnessBrowser__acidovorax_3H11:Ac3H11_1527
MQKFTVHKGLVAPMDRENVDTDAIIPKQFLKSIKKTGFGPNLFDEWRYLDKGEPGIPESA
RKPNPDFVLNLPRYKGASILIARKNFGCGSSREHAPWALDQFGFRAVIAPSFADIFFNNC
FKNGLLPIVLPEATVAQLFDEVAAFPGYQLTIDLERQVVVRQNRDEVVGEEIPFDVIAFR
KYCLLNGFDDIGLTLRKSDKIRAFEAERLATKPWLAHTMVS

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