Chlorine in PDB 2ypq: 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with Tryptophan and Tyrosine Bound

All present enzymatic activity of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with Tryptophan and Tyrosine Bound:
2.5.1.54;

The structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with Tryptophan and Tyrosine Bound, PDB code: 2ypq was solved by N.J.Blackmore, S.Reichau, W.Jiao, R.D.Hutton, E.N.Baker, G.B.Jameson, E.J.Parker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	175.67 / 2.76
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	202.777, 202.777, 66.747, 90.00, 90.00, 120.00
R / Rfree (%)	17.73 / 24.888

The structure of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with Tryptophan and Tyrosine Bound also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with Tryptophan and Tyrosine Bound (pdb code 2ypq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with Tryptophan and Tyrosine Bound, PDB code: 2ypq:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with Tryptophan and Tyrosine Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with Tryptophan and Tyrosine Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1468 b:80.2 occ:1.00 NH2 A:ARG226 2.4 84.2 1.0 NH2 A:ARG223 3.2 38.7 1.0 NE A:ARG223 3.2 37.3 1.0 CZ A:ARG223 3.7 25.4 1.0 CZ A:ARG226 3.7 93.8 1.0 CG A:ARG223 4.3 29.4 1.0 CD A:ARG223 4.4 31.7 1.0 NE A:ARG226 4.5 59.2 1.0 NH1 A:ARG226 4.6 99.3 1.0 NH1 A:ARG223 5.0 31.7 1.0

Chlorine binding site 2 out of 2 in the 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with Tryptophan and Tyrosine Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 3-Deoxy-D-Arabino-Heptulosonate 7-Phosphate Synthase with Tryptophan and Tyrosine Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1500 b:73.0 occ:1.00 N A:GLN36 3.6 46.0 1.0 CA A:GLN36 4.3 34.0 1.0 CA A:ALA35 4.6 23.6 1.0 C A:ALA35 4.6 30.3 1.0 CG A:GLN36 4.8 44.1 1.0 CB A:ALA35 4.9 14.2 1.0 NE2 A:GLN36 4.9 31.5 1.0 CD A:GLN36 5.0 40.7 1.0

N.J.Blackmore, S.Reichau, W.Jiao, R.D.Hutton, E.N.Baker, G.B.Jameson, E.J.Parker. Three Sites and You Are Out: Ternary Synergistic Allostery Controls Aromatic Aminoacid Biosynthesis in Mycobacterium Tuberculosis. J.Mol.Biol. V. 425 1582 2013.
ISSN: ISSN 0022-2836
PubMed: 23274137
DOI: 10.1016/J.JMB.2012.12.019