Chlorine in PDB 1jg3: Crystal Structure of L-Isoaspartyl (D-Aspartyl) O-Methyltransferase with Adenosine & Vyp(Isp)Ha Substrate

All present enzymatic activity of Crystal Structure of L-Isoaspartyl (D-Aspartyl) O-Methyltransferase with Adenosine & Vyp(Isp)Ha Substrate:
2.1.1.77;

The structure of Crystal Structure of L-Isoaspartyl (D-Aspartyl) O-Methyltransferase with Adenosine & Vyp(Isp)Ha Substrate, PDB code: 1jg3 was solved by S.C.Griffith, M.R.Sawaya, D.Boutz, N.Thapar, J.Katz, S.Clarke, T.O.Yeates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	500.00 / 2.10
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	91.573, 91.573, 124.547, 90.00, 90.00, 120.00
R / Rfree (%)	20.4 / 23.3

The structure of Crystal Structure of L-Isoaspartyl (D-Aspartyl) O-Methyltransferase with Adenosine & Vyp(Isp)Ha Substrate also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of L-Isoaspartyl (D-Aspartyl) O-Methyltransferase with Adenosine & Vyp(Isp)Ha Substrate (pdb code 1jg3). 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 L-Isoaspartyl (D-Aspartyl) O-Methyltransferase with Adenosine & Vyp(Isp)Ha Substrate, PDB code: 1jg3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of L-Isoaspartyl (D-Aspartyl) O-Methyltransferase with Adenosine & Vyp(Isp)Ha Substrate


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 L-Isoaspartyl (D-Aspartyl) O-Methyltransferase with Adenosine & Vyp(Isp)Ha Substrate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl300 b:27.4 occ:1.00 O A:HOH1058 3.0 29.8 1.0 N A:LEU146 3.5 24.6 1.0 CG2 A:ILE145 4.0 21.9 1.0 CA A:ILE145 4.1 23.8 1.0 C A:ILE145 4.3 25.5 1.0 CB A:LEU146 4.3 26.4 1.0 O A:LEU146 4.4 24.8 1.0 CA A:LEU146 4.5 24.7 1.0 CB A:ILE145 4.6 24.5 1.0 O A:VAL144 4.6 24.1 1.0 C A:LEU146 4.9 26.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of L-Isoaspartyl (D-Aspartyl) O-Methyltransferase with Adenosine & Vyp(Isp)Ha Substrate


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 L-Isoaspartyl (D-Aspartyl) O-Methyltransferase with Adenosine & Vyp(Isp)Ha Substrate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:24.8 occ:1.00 O B:HOH1077 3.2 42.2 1.0 N B:LEU146 3.6 22.9 1.0 CG2 B:ILE145 3.9 17.6 1.0 CA B:ILE145 4.1 20.8 1.0 C B:ILE145 4.4 22.8 1.0 O B:LEU146 4.5 20.9 1.0 CB B:ILE145 4.5 21.2 1.0 CB B:LEU146 4.6 22.4 1.0 CA B:LEU146 4.6 22.0 1.0 O B:VAL144 4.7 21.6 1.0 CG1 B:ILE145 4.9 19.9 1.0

S.C.Griffith, M.R.Sawaya, D.R.Boutz, N.Thapar, J.E.Katz, S.Clarke, T.O.Yeates. Crystal Structure of A Protein Repair Methyltransferase From Pyrococcus Furiosus with Its L-Isoaspartyl Peptide Substrate. J.Mol.Biol. V. 313 1103 2001.
ISSN: ISSN 0022-2836
PubMed: 11700066
DOI: 10.1006/JMBI.2001.5095