Table S3.21. Fragment 21 interactions with Arg

Fragment 21
Listed below are the ligands in the PDB that contain the chemical fragment shown on the left and which interact via this fragment with the side chain of a Arg residue via hydrogen bonds.

The PDB codes are hyperlinked to a schematic LIGPLOT diagram in PDBsum.

Ligand Description


  1. Ligand: VDX
5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-4-methylene-
cyclohexane-1,3-diol
PDB codes: 2zbz, 3cv9.


  2. Ligand: C33
2alpha-propyl-1alpha,25-dihydroxyvitamin d3
PDB code: 2ham.


  3. Ligand: COV
(1s,3r,5z,7e,14beta,17alpha)-17-[(2s,4s)-4-(2-hydroxy-2-methylpropyl)-2-methyltetrahydrofuran-2-yl]-
9,10-secoandrosta-5,7,10-triene-1,3-diol
PDB code: 3cs4.


  4. Ligand: INS
1,2,3,4,5,6-hexahydroxy-cyclohexane
PDB code: 3bxd.


  5. Ligand: NYA
(1r,3r,7e,17beta)-17-{(1r,2e,4r)-4-hydroxy-1-methyl-4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-
yl]but-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
PDB code: 2zmh.


  6. Ligand: O1C
2alpha-(3-hydroxypropyl)-1alpha,25-dihydroxyvitamin d3
PDB code: 2hb7.


  7. Ligand: OCC
2alpha-(3-hydroxypropoxy)-1alpha,25-dihydroxyvitamin d3
PDB code: 2har.


  8. Ligand: TT2
(1r,3r,7e,17beta)-17-{(1s,2e,5r)-5-hydroxy-1-methyl-5-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-
yl]pent-2-en-1-yl}-2-methylidene-9,10-secoestra-5,7-diene-1,3-diol
PDB code: 2zmi.


  9. Ligand: VD4
(1r,3r,7e,17z)-17-(5-hydroxy-1,5-dimethylhexylidene)-2-methylene-9,10-secoestra-5,7-diene-1,3-diol
PDB code: 2o4j.


  10. Ligand: VDB
(1r,2s,3r,5z,7e)-17-{(1r)-1-[(2-ethyl-2-hydroxybutyl)sulfanyl]ethyl}-2-(2-hydroxyethoxy)-9,10-
secoestra-5,7,16-triene-1,3-diol
PDB code: 2zla.


  11. Ligand: VDZ
5-{2-[1-(5-hydroxy-1,5-dimethyl-hexyl)-7a-methyl-octahydro-inden-4-ylidene]-ethylidene}-2-methylene-
cyclohexane-1,3-diol
PDB code: 1rjk.