Chlorine in PDB 3ill: Crystal Structure of E. Coli Hppk(D97A)

All present enzymatic activity of Crystal Structure of E. Coli Hppk(D97A):
2.7.6.3;

The structure of Crystal Structure of E. Coli Hppk(D97A), PDB code: 3ill was solved by J.Blaszczyk, Y.Li, H.Yan, X.Ji, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.79 / 1.73
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	33.480, 64.330, 74.730, 90.00, 100.62, 90.00
R / Rfree (%)	16.2 / 21.3

The binding sites of Chlorine atom in the Crystal Structure of E. Coli Hppk(D97A) (pdb code 3ill). 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 Hppk(D97A), PDB code: 3ill:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of E. Coli Hppk(D97A)


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 Hppk(D97A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl191 b:21.8 occ:1.00 O A:HOH372 3.1 32.0 1.0 O A:HOH306 3.1 27.2 1.0 CG A:ASP139 3.4 25.2 1.0 N A:ASP139 3.5 15.1 1.0 OD1 A:ASP139 3.6 18.5 1.0 NZ A:LYS119 3.6 22.0 1.0 CG A:PRO114 3.7 17.6 1.0 CD A:PRO138 3.7 13.1 1.0 CB A:ASP139 3.7 20.5 1.0 OD2 A:ASP139 3.7 23.4 1.0 CB A:PHE137 3.8 12.8 1.0 N A:PRO138 4.0 13.4 1.0 CE A:LYS119 4.0 23.2 1.0 CD A:PRO114 4.2 15.3 1.0 CA A:ASP139 4.2 20.2 1.0 CB A:PRO138 4.2 18.6 1.0 CD2 A:PHE137 4.3 16.2 1.0 CG A:PRO138 4.3 20.3 1.0 C A:PRO138 4.4 22.7 1.0 CA A:PRO138 4.5 20.8 1.0 CG A:PHE137 4.5 13.3 1.0 O A:HOH263 4.5 40.3 1.0 C A:PHE137 4.5 16.1 1.0 CB A:PRO114 4.6 16.4 1.0 CA A:PHE137 4.7 12.4 1.0 O A:HOH297 4.8 36.5 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of E. Coli Hppk(D97A)


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 Hppk(D97A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl192 b:22.2 occ:1.00 O A:HOH231 3.1 17.6 1.0 O A:HOH373 3.3 38.3 1.0 NH1 A:ARG82 3.5 40.6 1.0 CB A:ARG82 3.6 11.6 1.0 N A:VAL83 3.7 13.5 0.6 N A:VAL83 3.7 13.6 0.4 CG A:ARG82 3.8 16.1 1.0 CG1 A:VAL83 3.8 16.9 0.4 CA A:ARG82 4.0 10.3 1.0 CB A:VAL83 4.2 17.5 0.6 CD A:ARG82 4.3 21.7 1.0 C A:ARG82 4.4 15.8 1.0 NZ A:LYS85 4.5 50.2 1.0 CB A:VAL83 4.5 18.1 0.4 CA A:VAL83 4.5 16.4 0.6 CZ A:ARG82 4.6 47.7 1.0 O A:VAL83 4.6 17.6 0.4 CG2 A:VAL83 4.6 13.5 0.6 CA A:VAL83 4.6 16.2 0.4 O A:VAL83 4.7 17.6 0.6 NE A:ARG82 4.9 31.6 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of E. Coli Hppk(D97A)


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 Hppk(D97A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl193 b:11.4 occ:0.50 O A:HOH211 3.0 14.0 1.0 O A:HOH258 3.1 23.7 1.0 NH2 A:ARG41 3.3 17.9 1.0 CZ2 A:TRP158 3.5 15.0 1.0 CE2 A:TRP158 3.8 19.9 1.0 NE1 A:TRP158 3.9 16.2 1.0 NH1 A:ARG41 4.1 15.9 1.0 CZ A:ARG41 4.1 17.6 1.0 CH2 A:TRP158 4.4 18.9 1.0 O A:ALA12 4.7 18.5 1.0 O A:HOH255 4.9 19.9 1.0 CD1 A:TRP158 4.9 18.3 1.0 CD2 A:TRP158 4.9 15.2 1.0

Y.Li, J.Blaszczyk, X.Ji, H.Yan. Structural and Functional Roles of Residues D95 and D97 in E. Coli Hppk To Be Published.