Chlorine in PDB 3fen: Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid-Binding Protein II at 1.56 Angstrom Resolution

The structure of Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid-Binding Protein II at 1.56 Angstrom Resolution, PDB code: 3fen was solved by X.Jia, J.H.Geiger, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.91 / 1.56
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	34.692, 37.071, 58.549, 102.55, 106.37, 92.87
R / Rfree (%)	15.4 / 19.8

The binding sites of Chlorine atom in the Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid-Binding Protein II at 1.56 Angstrom Resolution (pdb code 3fen). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid-Binding Protein II at 1.56 Angstrom Resolution, PDB code: 3fen:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid-Binding Protein II at 1.56 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid-Binding Protein II at 1.56 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl138 b:81.6 occ:1.00 O A:THR75 3.9 28.6 1.0 O A:VAL76 4.2 31.9 1.0 CD A:ARG59 4.3 28.4 1.0 NE A:ARG59 4.5 29.1 1.0 CG2 A:THR61 4.5 27.2 0.5 NH1 A:ARG59 4.6 30.6 1.0 O A:HOH295 4.6 65.3 1.0 OG1 A:THR61 4.6 25.0 0.5 CZ A:ARG59 4.6 28.8 1.0 OE1 A:GLN74 4.6 29.6 0.5 C A:VAL76 4.7 29.7 1.0 CA A:VAL76 4.7 28.5 1.0 C A:THR75 4.9 26.9 1.0 N A:GLY78 4.9 31.2 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid-Binding Protein II at 1.56 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid-Binding Protein II at 1.56 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl139 b:71.3 occ:1.00 O A:HOH280 3.9 52.7 1.0 CG2 A:ILE52 4.2 21.4 1.0 CD1 A:ILE52 4.4 21.2 1.0 O A:HOH207 4.4 60.3 1.0 CD1 A:LEU111 4.5 18.9 0.5 CD1 A:ILE63 4.5 25.6 1.0 CD1 A:LEU121 4.6 19.0 1.0 CH2 A:TRP109 4.7 20.6 1.0 O A:HOH293 4.7 33.4 1.0 CZ3 A:TRP109 4.7 21.2 1.0 CZ2 A:TRP109 4.8 21.7 1.0 CE3 A:TRP109 4.8 21.7 1.0 O A:HOH197 4.8 62.7 1.0 CE2 A:TRP109 4.8 20.7 1.0 OG1 A:THR54 4.9 29.0 1.0 CD2 A:TRP109 4.9 20.3 1.0 CB A:ILE52 4.9 19.8 1.0 CG A:LEU111 4.9 18.4 0.5

Chlorine binding site 3 out of 3 in the Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid-Binding Protein II at 1.56 Angstrom Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the R132K:R111L:A32E Mutant of Cellular Retinoic Acid-Binding Protein II at 1.56 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl138 b:70.9 occ:1.00 O B:HOH341 2.9 49.9 1.0 O B:HOH287 3.0 48.0 1.0 CD1 B:LEU121 4.2 18.5 1.0 CD2 B:TRP109 4.3 18.6 1.0 CE2 B:TRP109 4.3 19.8 1.0 CG B:TRP109 4.4 19.8 1.0 CD1 B:TRP109 4.5 19.8 1.0 NE1 B:TRP109 4.5 20.1 1.0 O B:HOH300 4.6 56.2 1.0 CD2 B:LEU121 4.7 19.6 1.0 CE3 B:TRP109 4.7 19.5 1.0 CZ2 B:TRP109 4.9 19.2 1.0 OG1 B:THR54 4.9 22.0 0.5 CB B:TRP109 4.9 18.5 1.0 CG2 B:THR54 5.0 25.5 0.5 O B:HOH191 5.0 38.4 1.0

X.Jia, K.S.Lee, C.Vasileiou, B.Borhan, J.H.Geiger. Crystal Structures of Apo Cellular Retinoic Acid-Binding Protein II Mutants: Structural Integrity Investigated Through Multiple Site Mutations To Be Published.