Chlorine in PDB 1kj9: Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase Complexed with Mg-Atp

The structure of Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase Complexed with Mg-Atp, PDB code: 1kj9 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 (°)	62.300, 179.500, 75.700, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

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

Magnesium	(Mg)	5 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase Complexed with Mg-Atp (pdb code 1kj9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase Complexed with Mg-Atp, PDB code: 1kj9:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase Complexed with Mg-Atp


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 Complexed with Mg-Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl398 b:22.8 occ:1.00 NH2 A:ARG119 3.2 18.9 1.0 N A:PHE134 3.3 15.3 1.0 O A:HOH463 3.3 20.6 1.0 CD2 A:PHE134 3.7 14.7 1.0 CA A:ARG133 3.7 11.3 1.0 NH1 A:ARG119 3.9 14.1 1.0 CZ A:ARG119 3.9 18.9 1.0 C A:ARG133 4.0 13.8 1.0 CB A:PHE134 4.2 8.2 1.0 CA A:PHE134 4.3 9.8 1.0 CG A:PHE134 4.4 14.3 1.0 CB A:ARG133 4.4 10.3 1.0 CG A:ARG133 4.5 10.9 1.0 O A:PHE134 4.5 18.9 1.0 O A:TYR132 4.6 14.6 1.0 CE2 A:PHE134 4.7 12.9 1.0 O A:HOH603 4.7 30.5 1.0 CD1 A:TYR132 4.8 11.8 1.0 N A:ARG133 4.8 12.3 1.0 CE1 A:TYR132 4.8 9.2 1.0 C A:PHE134 4.9 23.4 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Purt-Encoded Glycinamide Ribonucleotide Transformylase Complexed with Mg-Atp


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 Complexed with Mg-Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl399 b:18.8 occ:1.00 O A:HOH469 3.3 21.8 1.0 N A:GLU84 3.3 19.2 1.0 O A:HOH470 3.4 16.7 1.0 O A:HOH434 3.4 13.2 1.0 CA A:ILE83 3.7 16.0 1.0 CD A:GLU84 3.8 30.1 1.0 CB A:ILE83 3.9 19.8 1.0 OE1 A:GLU84 3.9 18.8 1.0 CB A:GLU84 4.0 17.4 1.0 O A:HOH475 4.0 13.5 1.0 CG A:GLU84 4.0 16.4 1.0 C A:ILE83 4.0 21.7 1.0 CB A:SER160 4.1 23.5 1.0 OE2 A:GLU84 4.1 17.1 1.0 OG A:SER160 4.3 37.2 1.0 CA A:GLU84 4.3 18.1 1.0 CG2 A:ILE83 4.3 15.8 1.0 O A:GLU82 4.7 12.7 1.0 O A:HOH621 4.8 26.3 1.0 NH1 A:ARG283 5.0 12.2 1.0 N A:ILE83 5.0 15.0 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