Fluorine in PDB 2exg: Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands For the AF6 Pdz Domain

The binding sites of Fluorine atom in the Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands For the AF6 Pdz Domain (pdb code 2exg). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands For the AF6 Pdz Domain, PDB code: 2exg:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands For the AF6 Pdz Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands For the AF6 Pdz Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F102 b:0.0 occ:1.00 F16 A:STF102 0.0 0.0 1.0 C13 A:STF102 1.4 0.0 1.0 F15 A:STF102 2.2 0.0 1.0 F14 A:STF102 2.2 0.0 1.0 C4 A:STF102 2.4 0.0 1.0 HE1 A:MET23 2.6 0.0 1.0 H3 A:STF102 2.6 0.0 1.0 HD13 A:LEU25 2.8 0.0 1.0 C5 A:STF102 2.8 0.0 1.0 HG22 A:VAL90 2.9 0.0 1.0 HD12 A:LEU92 3.1 0.0 1.0 HG12 A:VAL90 3.1 0.0 1.0 HD22 A:LEU92 3.2 0.0 1.0 CE A:MET23 3.3 0.0 1.0 HE3 A:MET23 3.3 0.0 1.0 HD11 A:LEU25 3.4 0.0 1.0 HE2 A:MET23 3.5 0.0 1.0 CD1 A:LEU25 3.6 0.0 1.0 C3 A:STF102 3.6 0.0 1.0 SD A:MET83 3.9 0.0 1.0 CG2 A:VAL90 4.0 0.0 1.0 H2 A:STF102 4.0 0.0 1.0 HB3 A:MET83 4.0 0.0 1.0 CD1 A:LEU92 4.0 0.0 1.0 CG1 A:VAL90 4.1 0.0 1.0 CD2 A:LEU92 4.1 0.0 1.0 HD11 A:LEU92 4.2 0.0 1.0 C6 A:STF102 4.2 0.0 1.0 HB3 A:LEU25 4.2 0.0 1.0 HB A:VAL90 4.3 0.0 1.0 HD12 A:LEU25 4.3 0.0 1.0 CB A:LEU25 4.3 0.0 1.0 HD23 A:LEU92 4.3 0.0 1.0 HG23 A:VAL90 4.4 0.0 1.0 HE1 A:MET83 4.4 0.0 1.0 CB A:VAL90 4.4 0.0 1.0 HG11 A:VAL90 4.4 0.0 1.0 HB3 A:MET23 4.5 0.0 1.0 HE2 A:MET83 4.5 0.0 1.0 CE A:MET83 4.5 0.0 1.0 CG A:LEU25 4.5 0.0 1.0 HG22 A:ILE27 4.6 0.0 1.0 CG A:LEU92 4.7 0.0 1.0 HG21 A:VAL90 4.7 0.0 1.0 C2 A:STF102 4.8 0.0 1.0 HD13 A:LEU92 4.8 0.0 1.0 HG13 A:VAL90 4.8 0.0 1.0 HG21 A:ILE27 4.8 0.0 1.0 HG A:LEU92 4.8 0.0 1.0 H4 A:STF102 4.9 0.0 1.0 HD12 A:LEU63 4.9 0.0 1.0 CB A:MET83 4.9 0.0 1.0 SD A:MET23 4.9 0.0 1.0 HD21 A:LEU92 4.9 0.0 1.0 CG A:MET83 4.9 0.0 1.0 HG A:LEU25 5.0 0.0 1.0 C1 A:STF102 5.0 0.0 1.0

Fluorine binding site 2 out of 3 in the Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands For the AF6 Pdz Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands For the AF6 Pdz Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F102 b:0.0 occ:1.00 F15 A:STF102 0.0 0.0 1.0 C13 A:STF102 1.4 0.0 1.0 F14 A:STF102 2.2 0.0 1.0 F16 A:STF102 2.2 0.0 1.0 C4 A:STF102 2.4 0.0 1.0 H2 A:STF102 2.5 0.0 1.0 HB3 A:LEU25 2.6 0.0 1.0 HD11 A:LEU25 2.8 0.0 1.0 C3 A:STF102 2.8 0.0 1.0 HG21 A:ILE27 2.9 0.0 1.0 HD13 A:LEU25 3.1 0.0 1.0 CB A:LEU25 3.2 0.0 1.0 HG22 A:ILE27 3.3 0.0 1.0 CD1 A:LEU25 3.3 0.0 1.0 CG2 A:ILE27 3.6 0.0 1.0 C5 A:STF102 3.7 0.0 1.0 HD12 A:LEU92 3.8 0.0 1.0 CG A:LEU25 3.9 0.0 1.0 HG23 A:VAL42 4.0 0.0 1.0 H3 A:STF102 4.0 0.0 1.0 HD13 A:LEU57 4.2 0.0 1.0 HD11 A:LEU92 4.2 0.0 1.0 C2 A:STF102 4.2 0.0 1.0 HG23 A:ILE27 4.2 0.0 1.0 H A:SER26 4.3 0.0 1.0 HD12 A:LEU25 4.3 0.0 1.0 HG11 A:VAL42 4.4 0.0 1.0 N A:SER26 4.4 0.0 1.0 CA A:LEU25 4.5 0.0 1.0 HD23 A:LEU25 4.5 0.0 1.0 CD1 A:LEU92 4.5 0.0 1.0 HE1 A:MET23 4.5 0.0 1.0 HD22 A:LEU92 4.6 0.0 1.0 C A:LEU25 4.6 0.0 1.0 HD13 A:LEU63 4.6 0.0 1.0 HE2 A:MET83 4.6 0.0 1.0 CG1 A:ILE27 4.6 0.0 1.0 HD12 A:LEU63 4.6 0.0 1.0 HD12 A:LEU57 4.6 0.0 1.0 CB A:ILE27 4.7 0.0 1.0 HG A:LEU25 4.7 0.0 1.0 HG22 A:VAL90 4.7 0.0 1.0 HE3 A:MET23 4.7 0.0 1.0 HG13 A:ILE27 4.7 0.0 1.0 CD1 A:LEU57 4.8 0.0 1.0 C6 A:STF102 4.8 0.0 1.0 CD2 A:LEU25 4.8 0.0 1.0 H1 A:STF102 4.8 0.0 1.0 O A:SER26 4.9 0.0 1.0 C A:SER26 4.9 0.0 1.0 HD11 A:LEU57 4.9 0.0 1.0 HD23 A:LEU92 5.0 0.0 1.0

Fluorine binding site 3 out of 3 in the Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands For the AF6 Pdz Domain


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Making Protein-Protein Interactions Drugable: Discovery of Low-Molecular-Weight Ligands For the AF6 Pdz Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:F102 b:0.0 occ:1.00 F14 A:STF102 0.0 0.0 1.0 C13 A:STF102 1.4 0.0 1.0 F15 A:STF102 2.2 0.0 1.0 F16 A:STF102 2.2 0.0 1.0 C4 A:STF102 2.4 0.0 1.0 HE2 A:MET83 2.6 0.0 1.0 HG22 A:ILE27 2.6 0.0 1.0 SD A:MET83 2.9 0.0 1.0 CE A:MET83 3.0 0.0 1.0 C5 A:STF102 3.1 0.0 1.0 H3 A:STF102 3.1 0.0 1.0 HE1 A:MET83 3.2 0.0 1.0 C3 A:STF102 3.3 0.0 1.0 HD12 A:LEU63 3.3 0.0 1.0 HG21 A:ILE27 3.4 0.0 1.0 CG2 A:ILE27 3.4 0.0 1.0 H2 A:STF102 3.4 0.0 1.0 HD22 A:LEU92 3.4 0.0 1.0 HD23 A:LEU92 3.7 0.0 1.0 CG1 A:ILE27 3.8 0.0 1.0 HD11 A:LEU63 3.9 0.0 1.0 HD12 A:LEU92 4.0 0.0 1.0 CD1 A:LEU63 4.0 0.0 1.0 HE3 A:MET83 4.1 0.0 1.0 HD13 A:LEU63 4.1 0.0 1.0 CD2 A:LEU92 4.1 0.0 1.0 HD11 A:LEU92 4.1 0.0 1.0 CB A:ILE27 4.2 0.0 1.0 HG23 A:ILE27 4.2 0.0 1.0 HB3 A:MET83 4.3 0.0 1.0 HG13 A:ILE27 4.3 0.0 1.0 C6 A:STF102 4.4 0.0 1.0 HG12 A:VAL90 4.4 0.0 1.0 CD1 A:LEU92 4.5 0.0 1.0 CG A:MET83 4.5 0.0 1.0 C2 A:STF102 4.5 0.0 1.0 HE1 A:MET23 4.6 0.0 1.0 HD13 A:LEU25 4.6 0.0 1.0 HD11 A:LEU25 4.7 0.0 1.0 HD11 A:ILE27 4.7 0.0 1.0 HB A:ILE27 4.7 0.0 1.0 HB3 A:LEU25 4.8 0.0 1.0 HG23 A:VAL42 4.8 0.0 1.0 CD1 A:ILE27 4.8 0.0 1.0 CB A:MET83 4.8 0.0 1.0 HD21 A:LEU92 4.9 0.0 1.0 HD12 A:ILE27 4.9 0.0 1.0 HE3 A:MET23 4.9 0.0 1.0 HG23 A:VAL66 4.9 0.0 1.0 HE2 A:MET23 4.9 0.0 1.0 HG22 A:VAL90 4.9 0.0 1.0

M.Joshi, C.Vargas, P.Boisguerin, A.Diehl, G.Krause, P.Schmieder, K.Moelling, V.Hagen, M.Schade, H.Oschkinat. Discovery of Low-Molecular-Weight Ligands For the AF6 Pdz Domain. Angew.Chem.Int.Ed.Engl. V. 45 3790 2006.
ISSN: ISSN 1433-7851
PubMed: 16671149
DOI: 10.1002/ANIE.200503965