SitesBLAST

SitesBLAST – Find functional sites

SitesBLAST

Comparing Echvi_2060 FitnessBrowser__Cola:Echvi_2060 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 19 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)
42% identity, 98% coverage: 5:197/197 of query aligns to 539:728/758 of O14289

query
sites
O14289

K

K

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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)
42% identity, 96% coverage: 4:193/197 of query aligns to 2:184/198 of P9WK95

query
sites
P9WK95

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K154 (≠ D163) 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)
33% identity, 69% coverage: 19:153/197 of query aligns to 12:127/170 of Q58667

query
sites
Q58667

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R26 (≠ K33) 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 (≠ A34) 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)
33% identity, 68% coverage: 19:152/197 of query aligns to 12:128/167 of 2pkpA

query
sites
2pkpA

E

D

N
x
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V

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binding zinc ion: D13 (≠ N20), C63 (≠ S80)

3snpA Crystal structure analysis of iron regulatory protein 1 in complex with ferritin h ire RNA (see paper)
30% identity, 39% coverage: 49:124/197 of query aligns to 719:781/850 of 3snpA

query
sites
3snpA

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active site: S739 (= S82), R741 (= R84)
binding : R741 (= R84)

Sites not aligning to the query:

active site: 124, 125, 186, 505
binding : 125, 126, 188, 243, 250, 279, 283, 352, 357, 360, 419, 420, 421, 504, 505, 520, 642, 643, 644, 645, 646, 649, 665, 669, 671, 674

P20004 Aconitate hydratase, mitochondrial; Aconitase; Citrate hydro-lyase; EC 4.2.1.3 from Bos taurus (Bovine) (see 2 papers)
41% identity, 26% coverage: 71:121/197 of query aligns to 658:708/780 of P20004

query
sites
P20004

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SR 670:671 (= SR 83:84) binding

Sites not aligning to the query:

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

P09339 Aconitate hydratase A; ACN; Aconitase; Aconitate/2-methylaconitate hydratase; Iron-responsive protein-like; IRP-like; RNA-binding protein; EC 4.2.1.3; EC 4.2.1.- from Bacillus subtilis (strain 168) (see 2 papers)
40% identity, 27% coverage: 68:120/197 of query aligns to 778:830/909 of P09339

query
sites
P09339

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Sites not aligning to the query:

1 modified: Initiator methionine, Removed
450 C→S: Loss of aconitase activity. It is glutamate auxotroph and accumulates citrate. Exhibits overexpression of the citB promoter and accumulates high levels of inactive aconitase.
741 R→E: Same aconitase activity compared to the wild-type. It is glutamate prototroph and accumulates citrate. Exhibits overexpression of the citB promoter and accumulates high levels of active aconitase.

5acnA Structure of activated aconitase. Formation of the (4fe-4s) cluster in the crystal (see paper)
39% identity, 26% coverage: 71:121/197 of query aligns to 631:681/754 of 5acnA

query
sites
5acnA

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active site: S642 (= S82), R644 (= R84)
binding tricarballylic acid: R666 (≠ D106)

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)
39% identity, 26% coverage: 71:121/197 of query aligns to 658:708/781 of P16276

query
sites
P16276

V

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SR 670:671 (= SR 83:84) 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)
37% identity, 26% coverage: 71:121/197 of query aligns to 630:680/753 of 1b0kA

query
sites
1b0kA

V

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active site: A641 (≠ S82), R643 (= R84)
binding citrate anion: A641 (≠ S82), S642 (= S83), R643 (= R84)

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)
39% identity, 26% coverage: 71:121/197 of query aligns to 630:680/753 of 8acnA

query
sites
8acnA

V

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active site: S641 (= S82), R643 (= R84)
binding nitroisocitric acid: S641 (= S82), S642 (= S83), R643 (= R84)

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)
39% identity, 26% coverage: 71:121/197 of query aligns to 630:680/753 of 1fghA

query
sites
1fghA

V

V

L

V

V

I

A

G

G

D

K

E

N

N

F

Y

G

G

S

E

G

G

S
|
S

R
|
R

E

E

H

H

A

S

A

A

W

L

A

E

I

P

Y

R

D

F

Y

L

G

G

F

G

R

R

C

A

V

I

S

T

S

K

F

S

F

F

A

A

D

R

I

I

F

H

K

E

N

T

N

N

A

L

L

K

N

K

I

Q

G

G

I

L

L

L

P

P

V

L

T

T

active site: S641 (= S82), R643 (= R84)
binding 4-hydroxy-aconitate ion: S641 (= S82), S642 (= S83), R643 (= R84)

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)
39% identity, 26% coverage: 71:121/197 of query aligns to 630:680/753 of 1amjA

query
sites
1amjA

V

V

L

V

V

I

A

G

G

D

K

E

N

N

F

Y

G

G

S

E

G

G

S
|
S

S

S

R
|
R

E

E

H

H

A

S

A

A

W

L

A

E

I

P

Y

R

D

F

Y

L

G

G

F

G

R

R

C

A

V

I

S

T

S

K

F

S

F

F

A

A

D

R

I

I

F

H

K

E

N

T

N

N

A

L

L

K

N

K

I

Q

G

G

I

L

L

L

P

P

V

L

T

T

active site: S641 (= S82), R643 (= R84)
binding sulfate ion: R643 (= R84)

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)
39% identity, 26% coverage: 71:121/197 of query aligns to 630:680/753 of 1amiA

query
sites
1amiA

V

V

L

V

V

I

A

G

G

D

K

E

N

N

F

Y

G

G

S

E

G

G

S
|
S

R
|
R

E

E

H

H

A

S

A

A

W

L

A

E

I

P

Y

R

D

F

Y

L

G

G

F

G

R

R

C

A

V

I

S

T

S

K

F

S

F

F

A

A

D

R

I

I

F

H

K

E

N

T

N

N

A

L

L

K

N

K

I

Q

G

G

I

L

L

L

P

P

V

L

T

T

active site: S641 (= S82), R643 (= R84)
binding alpha-methylisocitric acid: S641 (= S82), S642 (= S83), R643 (= R84)

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)
39% identity, 26% coverage: 71:121/197 of query aligns to 630:680/753 of 1acoA

query
sites
1acoA

V

V

L

V

V

I

A

G

G

D

K

E

N

N

F

Y

G

G

S

E

G

G

S
|
S

R
|
R

E

E

H

H

A

S

A

A

W

L

A

E

I

P

Y

R

D

F

Y

L

G

G

F

G

R

R

C

A

V

I

S

T

S

K

F

S

F

F

A

A

D

R

I

I

F

H

K

E

N

T

N

N

A

L

L

K

N

K

I

Q

G

G

I

L

L

L

P

P

V

L

T

T

active site: S641 (= S82), R643 (= R84)
binding aconitate ion: S641 (= S82), S642 (= S83), R643 (= R84)

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

A0QX20 Aconitate hydratase A; ACN; Aconitase; (2R,3S)-2-methylisocitrate dehydratase; (2S,3R)-3-hydroxybutane-1,2,3-tricarboxylate dehydratase; Iron-responsive protein-like; IRP-like; Probable 2-methyl-cis-aconitate hydratase; RNA-binding protein; EC 4.2.1.3; EC 4.2.1.99 from Mycolicibacterium smegmatis (strain ATCC 700084 / mc(2)155) (Mycobacterium smegmatis) (see paper)
36% identity, 25% coverage: 71:120/197 of query aligns to 811:860/943 of A0QX20

query
sites
A0QX20

V

V

L

V

V

L

A

G

G

G

K

K

N

E

F

Y

G

G

S

S

G

G

S

S

R

R

E

D

H

W

A

A

W

K

A

G

I

T

Y

V

D

L

Y

L

G

G

F

V

R

K

C

A

V

V

V

I

S

T

S

E

F

S

F

F

A

E

D

R

I

I

F

H

K

R

N

S

N

N

A

L

L

I

N

G

I

M

G

G

I

V

L

I

P

P

V

L

Sites not aligning to the query:

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

P21399 Cytoplasmic aconitate hydratase; Aconitase; Citrate hydro-lyase; Ferritin repressor protein; Iron regulatory protein 1; IRP1; Iron-responsive element-binding protein 1; IRE-BP 1; EC 4.2.1.3 from Homo sapiens (Human) (see 2 papers)
31% identity, 27% coverage: 71:124/197 of query aligns to 767:820/889 of P21399

query
sites
P21399

V

I

L

V

V

L

A

A

G

G

K

K

N

E

F

Y

G

G

S

A

G

G

S
|
S

S

S

R
|
R

E

D

H

W

A

A

W

K

A

G

I

P

Y

F

D

L

Y

L

G

G

F

I

R

K

C

A

V

V

V

L

S

A

S

E

F

S

F

Y

A

E

D

R

I

I

F

H

K

R

N

S

N

N

A

L

L

V

N

G

I

M

G

G

I

V

L

I

P

P

V

L

T

E

V

Y

T

L

P

P

S778 (= S82) mutation to A: No effect on iron-regulated RNA binding. Loss of aconitase activity.
R780 (= R84) mutation to Q: Nearly abolishes RNA binding.

Sites not aligning to the query:

300 C→S: No effect on aconitase activity or on RNA binding.
318 T → M: in dbSNP:rs150373174
437 C→S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
503 C→S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
506 C→S: Loss of aconitase activity. Leads to constitutive RNA binding, irrespective of iron levels.
536 R→Q: Strongly reduced RNA binding.
541 R→Q: Strongly reduced RNA binding.
699 R→K: No effect on RNA binding.

2b3xA Structure of an orthorhombic crystal form of human cytosolic aconitase (irp1) (see paper)
31% identity, 27% coverage: 71:124/197 of query aligns to 766:819/888 of 2b3xA

query
sites
2b3xA

V

I

L

V

V

L

A

A

G

G

K

K

N

E

F

Y

G

G

S

A

G

G

S
|
S

S

S

R
|
R

E

D

H

W

A

A

W

K

A

G

I

P

Y

F

D

L

Y

L

G

G

F

I

R

K

C

A

V

V

V

L

S

A

S

E

F

S

F

Y

A

E

D

R

I

I

F

H

K

R

N

S

N

N

A

L

L

V

N

G

I

M

G

G

I

V

L

I

P

P

V

L

T

E

V

Y

T

L

P

P

active site: S777 (= S82), R779 (= R84)

Sites not aligning to the query:

active site: 124, 125, 204, 535
binding iron/sulfur cluster: 175, 206, 436, 502, 505, 506, 534

1nisA Crystal structure of aconitase with trans-aconitate and nitrocitrate bound (see paper)
39% identity, 26% coverage: 71:121/197 of query aligns to 630:680/753 of 1nisA

query
sites
1nisA

V

V

L

V

V

I

A

G

G

D

K

E

N

N

F

Y

G

G

S

E

G

G

S
|
S

R
|
R

E

E

H

H

A

R

A

A

W

L

A

E

I

P

Y

R

D

F

Y

L

G

G

F

G

R

R

C

A

V

I

S

T

S

K

F

S

F

F

A

A

D

R

I

I

F

H

K

E

N

T

N

N

A

L

L

K

N

K

I

Q

G

G

I

L

L

L

P

P

V

L

T

T

active site: S641 (= S82), R643 (= R84)
binding 2-hydroxy-2-nitromethyl succinic acid: S641 (= S82), S642 (= S83)

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

Query Sequence

>Echvi_2060 FitnessBrowser__Cola:Echvi_2060
MAYDKFNILKSTVVPLPTENVDTDQIIPARFLKATERKGFGDNLFRDWRYDSEGNPKADF
VLNDATYSGKVLVAGKNFGSGSSREHAAWAIYDYGFRCVVSSFFADIFKNNALNIGILPV
TVTPEFLEEIFAEVEKDPATEVEVDIEKQTITLLSTGNSESFDINSYKKQNMQNGFDDID
YLLNMKDQIVEFEKTRK

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