Chlorine in PDB 1rtz: Crystal Structure of E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 Angstrom Resolution

All present enzymatic activity of Crystal Structure of E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 Angstrom Resolution:
2.7.6.3;

The structure of Crystal Structure of E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 Angstrom Resolution, PDB code: 1rtz was solved by J.Blaszczyk, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.60 / 1.33
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.266, 41.685, 77.896, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 16.7

The structure of Crystal Structure of E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 Angstrom Resolution also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 Angstrom Resolution (pdb code 1rtz). 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 E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 Angstrom Resolution, PDB code: 1rtz:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 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 E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl164 b:14.6 occ:1.00 O A:HOH240 3.0 22.9 1.0 O A:HOH236 3.1 17.3 1.0 NZ A:LYS119 3.3 21.3 1.0 N A:ASP139 3.4 11.0 1.0 CD A:PRO138 3.5 12.7 1.0 CG A:ASP139 3.5 11.8 1.0 O A:HOH359 3.6 45.5 1.0 CB A:ASP139 3.7 11.0 1.0 OD1 A:ASP139 3.7 13.0 1.0 OD2 A:ASP139 3.8 13.9 1.0 N A:PRO138 3.8 10.3 1.0 CB A:PHE137 3.8 11.8 1.0 CB A:PRO138 3.8 12.9 1.0 CE A:LYS119 3.9 20.9 1.0 CG A:PRO114 3.9 19.9 1.0 CG A:PRO138 4.0 13.4 1.0 O A:HOH241 4.2 20.2 1.0 CA A:ASP139 4.2 10.5 1.0 CA A:PRO138 4.2 9.5 1.0 C A:PRO138 4.3 10.7 1.0 CD2 A:PHE137 4.4 11.2 1.0 C A:PHE137 4.4 11.3 1.0 CG A:PHE137 4.5 10.0 1.0 CD A:PRO114 4.6 21.9 1.0 CA A:PHE137 4.7 10.9 1.0 O A:HOH233 4.7 28.2 1.0 CB A:PRO114 4.8 16.0 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 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 E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl165 b:18.1 occ:1.00 O A:HOH217 2.8 27.4 1.0 NE2 A:GLN79 3.1 8.1 1.0 NH1 A:ARG75 3.7 9.3 1.0 OE1 A:GLN79 3.8 8.2 1.0 CD A:GLN79 3.9 8.4 1.0 CD A:ARG75 4.2 6.6 1.0 CZ A:ARG75 4.5 7.4 1.0 NE A:ARG75 4.6 6.8 1.0 CL A:CL166 4.9 16.6 1.0 CG A:ARG75 5.0 6.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 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 E.Coli Apo-Hppk(V83G/DEL84-89) at 1.33 Angstrom Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl166 b:16.6 occ:1.00 O A:HOH250 2.8 24.8 1.0 O A:HOH210 2.9 11.8 1.0 O A:HOH211 3.1 10.0 1.0 NH1 A:ARG75 3.3 9.3 1.0 CB A:ALA24 3.6 6.5 1.0 CA A:ALA24 4.0 7.0 1.0 NH2 A:ARG75 4.2 10.9 1.0 CZ A:ARG75 4.3 7.4 1.0 OE1 A:GLN79 4.4 8.2 1.0 O A:HOH275 4.6 25.2 1.0 O A:ALA24 4.7 7.7 1.0 C A:ALA24 4.8 6.8 1.0 NE2 A:GLN80 4.9 12.6 1.0 O A:HOH221 4.9 13.9 1.0 CL A:CL165 4.9 18.1 1.0

J.Blaszczyk, Y.Li, Y.Wu, G.Shi, X.Ji, H.Yan. Essential Roles of A Dynamic Loop in the Catalysis of 6-Hydroxymethyl-7,8-Dihydropterin Pyrophosphokinase. Biochemistry V. 43 1469 2004.
ISSN: ISSN 0006-2960
PubMed: 14769023
DOI: 10.1021/BI036053L