Chlorine in PDB 4hn0: Crystal Structure of Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis

The structure of Crystal Structure of Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis, PDB code: 4hn0 was solved by H.M.Holden, R.L.Kubiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.20
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	141.587, 141.587, 115.576, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 25.9

The binding sites of Chlorine atom in the Crystal Structure of Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis (pdb code 4hn0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis, PDB code: 4hn0:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis


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 Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:52.2 occ:1.00 NH1 A:ARG57 3.4 35.7 1.0 NH1 B:ARG21 3.6 34.4 1.0 CE1 A:HIS60 3.7 45.8 1.0 CD A:ARG57 3.9 35.9 1.0 CB A:ARG57 4.0 34.5 1.0 CG A:ARG57 4.1 34.0 1.0 NH2 B:ARG21 4.2 36.6 1.0 CZ B:ARG21 4.3 38.8 1.0 ND1 A:HIS60 4.4 41.1 1.0 CZ A:ARG57 4.5 35.6 1.0 O1 B:EDO201 4.5 50.9 1.0 NE A:ARG57 4.6 30.9 1.0 NE2 A:HIS60 4.8 37.2 1.0 O A:HOH330 4.8 59.8 1.0 CA A:ARG57 4.8 33.8 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis


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 Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl206 b:54.6 occ:1.00 NH1 B:ARG57 3.4 33.6 1.0 NH1 A:ARG21 3.6 35.9 1.0 CE1 B:HIS60 3.8 44.5 1.0 CD B:ARG57 3.8 38.1 1.0 CB B:ARG57 4.0 35.6 1.0 CG B:ARG57 4.1 35.0 1.0 NH2 A:ARG21 4.2 36.4 1.0 CZ A:ARG21 4.2 40.5 1.0 CZ B:ARG57 4.4 36.4 1.0 ND1 B:HIS60 4.4 41.1 1.0 O2 A:EDO201 4.5 52.5 1.0 NE B:ARG57 4.6 32.4 1.0 O B:HOH351 4.8 50.9 1.0 NE2 B:HIS60 4.8 38.3 1.0 CA B:ARG57 4.9 34.4 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis


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 Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl202 b:45.3 occ:1.00 NH1 D:ARG21 3.4 33.6 1.0 NH1 C:ARG57 3.4 33.2 1.0 CE1 C:HIS60 3.7 46.2 1.0 NH2 C:ARG166 3.8 78.8 1.0 CD C:ARG57 3.9 30.6 1.0 CB C:ARG57 3.9 37.0 1.0 NH2 D:ARG21 4.1 29.6 1.0 CG C:ARG57 4.2 30.9 1.0 CZ D:ARG21 4.2 28.5 1.0 CZ C:ARG57 4.4 34.5 1.0 NE2 C:HIS60 4.5 48.4 1.0 O2 D:EDO201 4.6 42.1 1.0 NE C:ARG57 4.6 32.0 1.0 ND1 C:HIS60 4.6 46.6 1.0 CZ C:ARG166 4.8 77.9 1.0 CA C:ARG57 4.8 36.5 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Chmj, A 3'-Monoepimerase Apoenzyme From Streptomyces Bikiniensis within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl203 b:47.0 occ:1.00 O D:HOH325 3.2 45.2 1.0 NH1 C:ARG21 3.4 32.6 1.0 NH1 D:ARG57 3.4 30.9 1.0 CE1 D:HIS60 3.7 46.4 1.0 CB D:ARG57 3.8 39.0 1.0 CD D:ARG57 3.9 29.8 1.0 CG D:ARG57 4.1 32.9 1.0 NH2 C:ARG21 4.1 27.7 1.0 CZ C:ARG21 4.2 30.4 1.0 CZ D:ARG57 4.4 33.5 1.0 NH2 D:ARG166 4.5 71.3 1.0 NE2 D:HIS60 4.5 47.5 1.0 NE D:ARG57 4.6 30.7 1.0 ND1 D:HIS60 4.6 45.1 1.0 O2 C:EDO201 4.7 42.0 1.0 CA D:ARG57 4.8 37.7 1.0

R.L.Kubiak, R.K.Phillips, M.W.Zmudka, M.R.Ahn, E.M.Maka, G.L.Pyeatt, S.J.Roggensack, H.M.Holden. Structural and Functional Studies on A 3'-Epimerase Involved in the Biosynthesis of Dtdp-6-Deoxy-D-Allose. Biochemistry V. 51 9375 2012.
ISSN: ISSN 0006-2960
PubMed: 23116432
DOI: 10.1021/BI3012737