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Table 6 PfGST interactions against best compounds are displayed

From: WISDOM-II: Screening against multiple targets implicated in malaria using computational grid infrastructures

Ligand Name Ligand---Protein Protein Residue Type of interaction Distance Ǻ
GTX 1. N--O & O---N 1. Val59 1. H-don & H-acc 1: 2.85 & 2.81
  2. O---OG & O---N 2. SER72 2. H-acc & H-acc 2: 2.51 & 2.87
  3. N---O 3. LYS117 3. H-don 3: 2.81
ZINC012010752 1. N---OE & O---NE 1. GLN71 1. H-don & H-acc 1: 1.93 & 3.02
  2. O---OG 2. SER72 2. H-acc 2: 2.78
  3. O---NE 3. GLN56 3. H-acc 3: 3.02
ZINC01788367 1. O---N & O---OG 1. SER72 1. H-acc & H-acc 1: 3.02 & 2.89
ZINC02305869 1. O---NZ & O---NZ 1. LYS15 1. H-acc & H-acc 1. 2.97 & 2.93
  2. O--NE 2. GLN71 2. H-acc 2: 2.99
  3. O---N & O---OG 3. SER72 3. H-acc & H-acc 3: 2.89 & 2.83
ZINC02449312 1. O---OG 1. SER72 1. H-acc 1: 2.89
ZINC03533756 1. N--O & O---N 1. Val59 1. H-don & H-acc 1: 2.11 & 3.05
  2. O---OG & O---N 2. SER72 2. H-acc & H-acc 2: 3.04 & 2.92
ZINC03580546 1. N---OD 1. ASP105 (B) 1. H-don 1: 2.30
  2. O--NE 2. GLN58 2. H-acc 2: 3.11
  3. O---OG 3. SER72 3. H-acc 3: 2.99
ZINC03830430 1. O---N 1. Val59 1. H-acc 1: 2.91
  2. O---N 2. SER72 2. H-acc 2: 2.92
ZINC05225308 1. O---NZ & O---NZ 1. LYS15 1. H-acc & H-acc 1: 2.95 & 3.28
  2. O--NE 2. GLN71 2. H-acc 2: 2.92
  3. O---N & O---OG 3. SER72 3. H-acc & H-acc 3: 3.30 & 2.92
ZINC02453649 1. O---NE 1. GLN56 1. H-acc 1: 2.93
  2. O---N & O---OG 2. SER72 2. H-acc &. H-acc 2: 2.92 & 2.82
  1. Especially displays H-bond interactions. In the table, column 2 represents the ligand atom to protein atom interaction, column 3 represents the protein residue against which the compound made the interaction, column 4 represents the type of interaction, column 5 represents the distance at with the H-Bond is formed.