Chlorine in PDB 1h3m: Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase

All present enzymatic activity of Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase:
2.7.7.60;

The structure of Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase, PDB code: 1h3m was solved by L.E.Kemp, C.S.Bond, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.4
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	73.604, 73.604, 175.562, 90.00, 90.00, 90.00
R / Rfree (%)	23.7 / 33.3

The binding sites of Chlorine atom in the Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase (pdb code 1h3m). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase, PDB code: 1h3m:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1230 b:55.9 occ:1.00 NE2 A:HIS162 3.3 41.8 1.0 N A:ARG138 3.5 44.6 1.0 CE1 B:HIS162 3.8 39.5 1.0 N A:ASP139 3.8 46.4 1.0 CB A:ARG138 3.9 46.7 1.0 ND1 B:HIS162 4.0 40.2 1.0 CA A:ARG138 4.2 45.8 1.0 CE1 A:HIS162 4.2 39.9 1.0 CD2 A:HIS162 4.3 39.9 1.0 O B:HOH2021 4.4 43.1 1.0 CB A:ASP139 4.4 47.3 1.0 CA A:VAL137 4.5 41.4 1.0 CG A:ARG138 4.5 49.4 1.0 C A:VAL137 4.5 43.0 1.0 CG A:ASP139 4.5 50.1 1.0 C A:ARG138 4.5 46.1 1.0 CG1 A:VAL137 4.5 39.8 1.0 OD1 A:ASP139 4.6 55.2 1.0 CA A:ASP139 4.7 46.6 1.0 O A:PRO136 4.9 40.4 1.0

Chlorine binding site 2 out of 5 in the Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1232 b:59.9 occ:1.00 N A:GLN114 4.0 44.4 1.0 ND1 A:HIS113 4.2 53.5 1.0 CA A:HIS113 4.2 43.6 1.0 CG A:GLN114 4.3 44.0 1.0 CB A:HIS113 4.4 43.8 1.0 CB A:GLN114 4.6 45.2 1.0 C A:HIS113 4.7 43.7 1.0 CG A:HIS113 4.7 49.7 1.0 O A:LEU112 4.9 40.2 1.0 CA A:GLN114 5.0 44.6 1.0

Chlorine binding site 3 out of 5 in the Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1230 b:59.5 occ:1.00 CB B:ASP139 3.4 48.0 1.0 CE1 A:HIS162 3.4 39.9 1.0 NE2 B:HIS162 3.5 39.7 1.0 ND1 A:HIS162 3.8 39.4 1.0 N B:ASP139 3.8 46.3 1.0 N B:ARG138 3.9 41.2 1.0 CE1 B:HIS162 4.2 39.5 1.0 OD2 B:ASP139 4.2 54.2 1.0 CG B:ASP139 4.3 51.6 1.0 CA B:ASP139 4.3 47.0 1.0 CG1 B:VAL137 4.4 37.3 1.0 O A:HOH2015 4.5 55.2 1.0 CA B:VAL137 4.6 37.1 1.0 C B:ARG138 4.6 45.2 1.0 CD2 B:HIS162 4.6 39.9 1.0 CA B:ARG138 4.7 44.1 1.0 NE2 A:HIS162 4.7 41.8 1.0 C B:VAL137 4.7 38.8 1.0 CB B:ARG138 4.8 44.8 1.0

Chlorine binding site 4 out of 5 in the Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1231 b:55.7 occ:0.50 O B:HOH2011 3.0 53.5 0.5 NE2 B:HIS48 3.1 52.2 1.0 O B:HOH2013 3.3 54.0 0.5 O B:HOH2012 3.4 51.5 0.5 CD B:ARG50 3.6 43.4 1.0 CG B:ARG50 3.7 44.7 1.0 CE1 B:HIS48 3.8 51.9 1.0 CD2 B:HIS48 4.2 51.2 1.0 CB B:ARG50 4.7 47.4 1.0 CB B:PRO49 4.9 47.6 1.0 ND1 B:HIS48 4.9 51.3 1.0 NE B:ARG50 5.0 44.9 1.0 N B:ARG50 5.0 48.0 1.0

Chlorine binding site 5 out of 5 in the Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structure of 4-Diphosphocytidyl-2C-Methyl-D-Erythritol Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1232 b:63.2 occ:1.00 O B:HOH2027 2.7 52.7 1.0 N B:GLN114 3.5 44.0 1.0 CA B:HIS113 3.9 45.1 1.0 CB B:HIS113 3.9 46.0 1.0 O B:HOH2014 4.0 58.6 1.0 CG B:GLN114 4.0 43.0 1.0 ND1 B:HIS113 4.0 56.6 1.0 C B:HIS113 4.2 44.0 1.0 CB B:GLN114 4.2 43.9 1.0 CG B:HIS113 4.4 52.2 1.0 CA B:GLN114 4.5 44.2 1.0

L.E.Kemp, C.S.Bond, W.N.Hunter. Structure of A Tetragonal Crystal Form of Escherichia Coli 2-C-Methyl-D-Erythritol 4- Phosphate Cytidylyltransferase Acta Crystallogr.,Sect.D V. 59 607 2003.
ISSN: ISSN 0907-4449
PubMed: 12595740
DOI: 10.1107/S090744490202365X