Chlorine in PDB 1kj8: Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar

The structure of Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar, PDB code: 1kj8 was solved by J.B.Thoden, S.M.Firestine, S.J.Benkovic, H.M.Holden, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.60
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	62.100, 179.300, 75.800, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The structure of Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar (pdb code 1kj8). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar, PDB code: 1kj8:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar


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 Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl396 b:21.8 occ:1.00 O A:HOH441 3.2 16.9 1.0 O A:HOH425 3.2 16.5 1.0 O A:HOH448 3.2 20.9 1.0 N A:GLU84 3.3 24.8 1.0 O A:HOH527 3.5 20.5 1.0 OG A:SER160 3.8 66.1 1.0 CA A:ILE83 3.8 19.6 1.0 CB A:SER160 3.8 39.8 1.0 CD A:GLU84 3.9 43.4 1.0 OE1 A:GLU84 3.9 25.6 1.0 CB A:ILE83 4.0 20.4 1.0 C A:ILE83 4.0 26.2 1.0 CB A:GLU84 4.1 23.9 1.0 O A:HOH548 4.1 20.6 1.0 CG A:GLU84 4.1 33.1 1.0 CA A:GLU84 4.3 22.8 1.0 C23 A:GAR399 4.3 16.8 1.0 CG2 A:ILE83 4.3 15.9 1.0 OE2 A:GLU84 4.4 19.8 1.0 O A:HOH817 4.5 48.3 1.0 NH1 A:ARG283 4.8 19.2 1.0 N19 A:GAR399 4.9 12.3 1.0 O A:GLU82 5.0 17.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar


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 Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl397 b:25.6 occ:1.00 O A:HOH732 2.6 50.2 1.0 NE2 A:GLN341 3.1 16.5 1.0 O A:HOH557 3.3 23.1 1.0 CD A:GLN341 4.0 22.2 1.0 CG A:GLN341 4.0 16.8 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar


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 Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl398 b:34.6 occ:1.00 O A:HOH509 3.0 35.7 1.0 NH1 A:ARG33 3.0 14.4 1.0 NH1 B:ARG33 3.2 17.8 1.0 O B:HOH614 3.4 41.6 1.0 NH2 B:ARG33 3.4 13.8 1.0 NH2 A:ARG33 3.4 13.6 1.0 O B:HOH440 3.5 24.8 1.0 O2 B:EDO399 3.5 45.1 1.0 O A:HOH466 3.6 26.6 1.0 O A:HOH848 3.6 82.0 1.0 O B:HOH612 3.6 38.7 1.0 CZ A:ARG33 3.6 16.9 1.0 CZ B:ARG33 3.7 15.9 1.0 O A:HOH838 4.4 37.8 1.0 O A:HOH792 4.5 21.2 1.0 OE1 A:GLU30 4.6 18.5 1.0 C2 B:EDO399 4.8 64.6 1.0 O A:HOH804 4.9 30.0 1.0 O A:HOH850 5.0 64.9 1.0 NE A:ARG33 5.0 13.1 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase in Complex with Mg-Atp and Gar within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl396 b:35.8 occ:1.00 O B:HOH500 2.7 31.4 1.0 N B:PHE217 3.3 13.1 1.0 CD2 B:HIS216 3.5 17.9 1.0 CA B:HIS216 3.7 11.5 1.0 CD1 B:PHE217 3.7 16.2 1.0 CB B:HIS216 3.8 11.8 1.0 CG B:HIS216 4.0 17.1 1.0 C B:HIS216 4.0 12.7 1.0 O B:PHE217 4.1 13.0 1.0 CA B:PHE217 4.3 12.3 1.0 CB B:PHE217 4.3 13.2 1.0 CG B:PHE217 4.4 12.5 1.0 CE1 B:PHE217 4.5 14.7 1.0 O B:HOH444 4.6 19.2 1.0 C B:PHE217 4.6 13.9 1.0 NE2 B:HIS216 4.7 15.1 1.0 O B:VAL215 4.7 15.3 1.0 O B:HOH669 4.8 34.0 1.0 N B:HIS216 4.9 12.4 1.0

J.B.Thoden, S.M.Firestine, S.J.Benkovic, H.M.Holden. Purt-Encoded Glycinamide Ribonucleotide Transformylase. Accommodation of Adenosine Nucleotide Analogs Within the Active Site. J.Biol.Chem. V. 277 23898 2002.
ISSN: ISSN 0021-9258
PubMed: 11953435
DOI: 10.1074/JBC.M202251200