Table 3

Small molecule binding at the interface of two or more Pfam-A domains

Domain combination

PDBe

ratio

# ChEMBL targets


ADH_N, ADH_zinc_N

1u3u [...]

0.58, 0.33

21

DNA_topoisoIV, Toprim

3qx3

0.32, 0.68

8

GST_C, GST_N

3ee2 [...]

0.62, 0.31

23

Hexokinase_1, Hexokinase_2

3goi [...]

0.56, 0.39

14

Mur_ligase_C, Mur_ligase

2am1 [...]

0.36, 0.36

6

NMT, NMT_C

1iyk [...]

0.46, 0.41

6

OTCace, OTCace_N

1oth

0.50, 0.50

3

Peptidase_M4, Peptidase_M4_C

1zdp [...]

0.50, 0.50

2

Peptidase_S9, DPPIV_N

3d4l [...]

0.51, 0.43

10

Topoisom_I, Topo_C_assoc, Topoisom_I_N

1k4t [...]

0.35, 0.31, 0.35

5

S-AdoMet_synt_N, S-AdoMet_synt_C

1o93

0.41, 0.43

2

Tubulin, Tubulin_C

1ia0

0.30, 0.48

20


Summary of small molecule binding mediated through more than one domain. Combinations of Pfam-A domains are specified in the left-most column. The column PDBe provides one exemplary structure accession ([...] indicates that more entries exist) and 'ratios' specifies the ratio of binding site residues within the corresponding domain over all binding site residues. # ChEMBL targets indicates the number of targets in ChEMBL containing a given domain combination.

Kruger et al. BMC Bioinformatics 2012 13(Suppl 17):S11   doi:10.1186/1471-2105-13-S17-S11

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