Table 2

Polypharmacological targets identified by using Isoleucyl-tRNA synthetase-Mupirocin complex as the query

PDB Code

UniProt AC

EC number

Ligand

SCOP

CATH

Species

Gene Name

Description

RMSD

AR

SI


1qu3A

P41972

6.1.1.5

MRC, ZN

a.27.1.1, b.51.1.1, c.26.1.1

1.10.730.10, 3.90.740.10

Staphylococcus aureus

ileS

Isoleucyl-tRNA synthetase

0

1

100

1ffyA

P41972

6.1.1.5

MRC, ZN

a.27.1.1, b.51.1.1, c.26.1.1

-

Staphylococcus aureus

ileS

Isoleucyl-tRNA synthetase

0.4

1

100

1qu2A

P41972

6.1.1.5

MRC, ZN

a.27.1.1, b.51.1.1, c.26.1.1

-

Staphylococcus aureus

ileS

Isoleucyl-tRNA synthetase

0.4

1

100

1ileA

P56690

6.1.1.5

ZN

a.27.1.1, b.51.1.1, c.26.1.1

1.10.730.10, 3.40.50.620, 3.90.740.10

Thermus thermophilus

ileS

Isoleucyl-tRNA synthetase

1.4

1

31.8

1jzqA

P56690

6.1.1.5

ILA, ZN

a.27.1.1, b.51.1.1, c.26.1.1

1.10.730.10, 3.40.50.620, 3.90.740.10

Thermus thermophilus

ileS

Isoleucyl-tRNA synthetase

1.4

1

31.8

1jzsA

P56690

6.1.1.5

MRC, ZN

a.27.1.1, b.51.1.1, c.26.1.1

1.10.730.10, 3.40.50.620, 3.90.740.10

Thermus thermophilus

ileS

Isoleucyl-tRNA synthetase

1.4

1

31.8

2d5bA

P23395

6.1.1.10

ZN

a.27.1.1, c.26.1.1

1.10.730.10, 3.40.50.620

Thermus thermophilus

metG

Methionyl-tRNA synthetase

1.7

1

26.8

2d54A

P23395

6.1.1.10

ZN

a.27.1.1, c.26.1.1

1.10.730.10, 3.40.50.620

Thermus thermophilus

metG

Methionyl-tRNA synthetase

1.7

1

26.8

1a8hA

P23395

6.1.1.10

ZN

a.27.1.1, c.26.1.1

1.10.730.10, 2.170.220.10, 3.40.50.620

Thermus thermophilus

metG

Methionyl-tRNA synthetase

1.7

1

26.8

1woyA

P23395

6.1.1.10

ZN

a.27.1.1, c.26.1.1

1.10.730.10, 2.170.220.10, 3.40.50.620

Thermus thermophilus

metG

Methionyl-tRNA synthetase

1.8

1

26.8

1li5A

P21888

6.1.1.16

ZN

a.27.1.1, c.26.1.1

3.40.50.620

Escherichia coli

cysS

Cysteinyl-tRNA synthetase

1.9

0.99

30.5

1li7A

P21888

6.1.1.16

CYS, ZN

a.27.1.1, c.26.1.1

3.40.50.620

Escherichia coli

cysS

Cysteinyl-tRNA synthetase

1.9

0.99

30.5

1li7B

P21888

6.1.1.16

CYS, ZN

a.27.1.1, c.26.1.1

3.40.50.620

Escherichia coli

cysS

Cysteinyl-tRNA synthetase

1.9

0.95

30.5

1li5B

P21888

6.1.1.16

ZN

a.27.1.1, c.26.1.1

3.40.50.620

Escherichia coli

cysS

Cysteinyl-tRNA synthetase

2

0.95

30.5

1wkbA

O58698

6.1.1.4

SO4

-

1.10.730.10, 3.40.50.620, 3.90.740.10

Pyrococcus horikoshii

leuS

Leucyl-tRNA synthetase

2

0.99

22.3

1wz2A

O58698

6.1.1.4

-

-

1.10.730.10, 3.40.50.620, 3.90.740.10

Pyrococcus horikoshii

leuS

Leucyl-tRNA synthetase

2

0.99

21.7

1wz2B

O58698

6.1.1.4

-

-

1.10.730.10, 3.40.50.620, 3.90.740.10

Pyrococcus horikoshii

leuS

Leucyl-tRNA synthetase

2

0.99

21.7

2ct8A

O67298

6.1.1.10

MSP

-

3.40.50.620

Aquifex aeolicus

metG

Methionyl-tRNA synthetase

2

0.99

25.2

2ct8B

O67298

6.1.1.10

MSP

-

3.40.50.620

Aquifex aeolicus

metG

Methionyl-tRNA synthetase

2

0.99

25.2

2csxA

O67298

6.1.1.10

-

-

3.40.50.620

Aquifex aeolicus

metG

Methionyl-tRNA synthetase

2

0.99

25.2


Chiu et al. BMC Genomics 2012 13(Suppl 7):S21   doi:10.1186/1471-2164-13-S7-S21

Open Data