Table S3. Fragments interacting with Arg

The table shows a list of the chemical fragments of ligands bound to proteins in the PDB that interact via hydrogen bonds to Arg side chains. The counts show the number of unique ligand molecules containing the fragment and number of PDB files in which the interaction is observed. Further information can be found by following the links.

1. Interacting via N

1.  Unique ligands: 9    PDB entries: 26		2.  Unique ligands: 4    PDB entries: 4		3.  Unique ligands: 3    PDB entries: 9		4.  Unique ligands: 2    PDB entries: 2
5.  Unique ligands: 1    PDB entries: 1		6.  Unique ligands: 1    PDB entries: 1		7.  Unique ligands: 1    PDB entries: 2		8.  Unique ligands: 1    PDB entries: 1
9.  Unique ligands: 1    PDB entries: 1		10.  Unique ligands: 1    PDB entries: 1		11.  Unique ligands: 1    PDB entries: 1		12.  Unique ligands: 1    PDB entries: 1

2. Interacting via O

1.  Unique ligands: 22    PDB entries: 86		2.  Unique ligands: 20    PDB entries: 30		3.  Unique ligands: 11    PDB entries: 12		4.  Unique ligands: 11    PDB entries: 38
5.  Unique ligands: 9    PDB entries: 14		6.  Unique ligands: 8    PDB entries: 21		7.  Unique ligands: 7    PDB entries: 18		8.  Unique ligands: 7    PDB entries: 31
9.  Unique ligands: 7    PDB entries: 13		10.  Unique ligands: 5    PDB entries: 15		11.  Unique ligands: 5    PDB entries: 10		12.  Unique ligands: 5    PDB entries: 5
13.  Unique ligands: 4    PDB entries: 5		14.  Unique ligands: 3    PDB entries: 4		15.  Unique ligands: 3    PDB entries: 3		16.  Unique ligands: 3    PDB entries: 14
17.  Unique ligands: 3    PDB entries: 3		18.  Unique ligands: 3    PDB entries: 3		19.  Unique ligands: 3    PDB entries: 3		20.  Unique ligands: 3    PDB entries: 4
21.  Unique ligands: 3    PDB entries: 4		22.  Unique ligands: 3    PDB entries: 3		23.  Unique ligands: 3    PDB entries: 4		24.  Unique ligands: 2    PDB entries: 4
25.  Unique ligands: 2    PDB entries: 3		26.  Unique ligands: 2    PDB entries: 4		27.  Unique ligands: 2    PDB entries: 15		28.  Unique ligands: 2    PDB entries: 2
29.  Unique ligands: 2    PDB entries: 2		30.  Unique ligands: 2    PDB entries: 3		31.  Unique ligands: 2    PDB entries: 3		32.  Unique ligands: 2    PDB entries: 5
33.  Unique ligands: 2    PDB entries: 2		34.  Unique ligands: 2    PDB entries: 2		35.  Unique ligands: 2    PDB entries: 3		36.  Unique ligands: 2    PDB entries: 3
37.  Unique ligands: 2    PDB entries: 2		38.  Unique ligands: 2    PDB entries: 2		39.  Unique ligands: 2    PDB entries: 18		40.  Unique ligands: 2    PDB entries: 3
41.  Unique ligands: 1    PDB entries: 3		42.  Unique ligands: 1    PDB entries: 1		43.  Unique ligands: 1    PDB entries: 3		44.  Unique ligands: 1    PDB entries: 2
45.  Unique ligands: 1    PDB entries: 1		46.  Unique ligands: 1    PDB entries: 1		47.  Unique ligands: 1    PDB entries: 1		48.  Unique ligands: 1    PDB entries: 2
49.  Unique ligands: 1    PDB entries: 1		50.  Unique ligands: 1    PDB entries: 4		51.  Unique ligands: 1    PDB entries: 1		52.  Unique ligands: 1    PDB entries: 3
53.  Unique ligands: 1    PDB entries: 1		54.  Unique ligands: 1    PDB entries: 1		55.  Unique ligands: 1    PDB entries: 1		56.  Unique ligands: 1    PDB entries: 3
57.  Unique ligands: 1    PDB entries: 1		58.  Unique ligands: 1    PDB entries: 1		59.  Unique ligands: 1    PDB entries: 1		60.  Unique ligands: 1    PDB entries: 4
61.  Unique ligands: 1    PDB entries: 1		62.  Unique ligands: 1    PDB entries: 1		63.  Unique ligands: 1    PDB entries: 1		64.  Unique ligands: 1    PDB entries: 1
65.  Unique ligands: 1    PDB entries: 1		66.  Unique ligands: 1    PDB entries: 2		67.  Unique ligands: 1    PDB entries: 1		68.  Unique ligands: 1    PDB entries: 1
69.  Unique ligands: 1    PDB entries: 1		70.  Unique ligands: 1    PDB entries: 1		71.  Unique ligands: 1    PDB entries: 1		72.  Unique ligands: 1    PDB entries: 1
73.  Unique ligands: 1    PDB entries: 1		74.  Unique ligands: 1    PDB entries: 1		75.  Unique ligands: 1    PDB entries: 9		76.  Unique ligands: 1    PDB entries: 1
77.  Unique ligands: 1    PDB entries: 3		78.  Unique ligands: 1    PDB entries: 10		79.  Unique ligands: 1    PDB entries: 1		80.  Unique ligands: 1    PDB entries: 1
81.  Unique ligands: 1    PDB entries: 1		82.  Unique ligands: 1    PDB entries: 1		83.  Unique ligands: 1    PDB entries: 1		84.  Unique ligands: 1    PDB entries: 1
85.  Unique ligands: 1    PDB entries: 1		86.  Unique ligands: 1    PDB entries: 2		87.  Unique ligands: 1    PDB entries: 1		88.  Unique ligands: 1    PDB entries: 1
89.  Unique ligands: 1    PDB entries: 1		90.  Unique ligands: 1    PDB entries: 1		91.  Unique ligands: 1    PDB entries: 3		92.  Unique ligands: 1    PDB entries: 1
93.  Unique ligands: 1    PDB entries: 2		94.  Unique ligands: 1    PDB entries: 1		95.  Unique ligands: 1    PDB entries: 1		96.  Unique ligands: 1    PDB entries: 1
97.  Unique ligands: 1    PDB entries: 1		98.  Unique ligands: 1    PDB entries: 2		99.  Unique ligands: 1    PDB entries: 1		100.  Unique ligands: 1    PDB entries: 1
101.  Unique ligands: 1    PDB entries: 1		102.  Unique ligands: 1    PDB entries: 1		103.  Unique ligands: 1    PDB entries: 1		104.  Unique ligands: 1    PDB entries: 1
105.  Unique ligands: 1    PDB entries: 1		106.  Unique ligands: 1    PDB entries: 1

3. Interacting via S or halogen

1.  Unique ligands: 4    PDB entries: 5		2.  Unique ligands: 1    PDB entries: 1		3.  Unique ligands: 1    PDB entries: 2		4.  Unique ligands: 1    PDB entries: 1
5.  Unique ligands: 1    PDB entries: 1		6.  Unique ligands: 1    PDB entries: 2		7.  Unique ligands: 1    PDB entries: 1

4. Mixed interactions

1.  Unique ligands: 6    PDB entries: 8		2.  Unique ligands: 3    PDB entries: 7		3.  Unique ligands: 2    PDB entries: 4		4.  Unique ligands: 1    PDB entries: 10
5.  Unique ligands: 1    PDB entries: 11