Chlorine in PDB 1va0: Crystal Structure of the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus

All present enzymatic activity of Crystal Structure of the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus:
2.1.1.107;

The structure of Crystal Structure of the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus, PDB code: 1va0 was solved by P.H.Rehse, T.Kitao, T.H.Tahirov, Riken Structural Genomics/Proteomicsinitiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.78 / 1.97
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.500, 63.568, 131.902, 90.00, 90.00, 90.00
R / Rfree (%)	19.9 / 22.7

The binding sites of Chlorine atom in the Crystal Structure of the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus (pdb code 1va0). 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 the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus, PDB code: 1va0:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus


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 the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:32.1 occ:1.00 O A:HOH608 2.8 27.9 1.0 OG1 A:THR114 2.9 26.9 1.0 N A:ASP86 3.4 24.6 1.0 N A:SER115 3.5 24.7 1.0 CG2 A:VAL89 3.7 29.8 1.0 CB A:THR114 3.7 31.1 1.0 O A:HOH635 3.8 39.8 1.0 O A:ASP86 3.8 28.4 1.0 CA A:GLY85 3.8 25.4 1.0 CA A:THR114 3.8 28.0 1.0 O A:VAL89 3.9 25.3 1.0 C A:GLY85 4.1 28.1 1.0 O A:GLY84 4.1 25.7 1.0 OG A:SER115 4.2 37.7 1.0 C A:THR114 4.2 29.3 1.0 CB A:SER115 4.3 33.4 1.0 CA A:ASP86 4.3 23.4 1.0 CB A:ASP86 4.4 24.7 1.0 C A:ASP86 4.5 26.6 1.0 CA A:SER115 4.5 29.6 1.0 N A:GLY85 4.7 24.3 1.0 CD1 A:LEU159 4.7 34.0 1.0 C A:GLY84 4.7 27.2 1.0 C A:VAL89 4.8 25.4 1.0 CD2 A:PHE90 4.9 32.2 1.0 CB A:VAL89 4.9 33.4 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus


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 the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:45.0 occ:1.00 OG1 B:THR114 2.9 28.7 1.0 N B:ASP86 3.3 22.7 1.0 O B:ASP86 3.7 27.0 1.0 CA B:GLY85 3.7 25.7 1.0 CB B:THR114 3.7 30.7 1.0 N B:SER115 3.8 23.9 1.0 CG2 B:VAL89 3.8 28.3 1.0 CA B:THR114 3.8 26.3 1.0 O B:VAL89 3.9 27.8 1.0 C B:GLY85 4.0 27.6 1.0 O B:GLY84 4.0 25.8 1.0 OG B:SER115 4.3 39.5 1.0 CA B:ASP86 4.3 25.1 1.0 C B:THR114 4.4 27.4 1.0 C B:ASP86 4.4 27.0 1.0 CB B:ASP86 4.6 24.4 1.0 O B:HOH652 4.6 44.8 1.0 N B:GLY85 4.6 29.4 1.0 C B:GLY84 4.6 29.5 1.0 CB B:SER115 4.8 35.1 1.0 C B:VAL89 4.9 24.1 1.0 CA B:SER115 4.9 26.7 1.0 CD1 B:LEU159 5.0 29.3 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus


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 the Native Form of Uroporphyrin III C-Methyl Transferase From Thermus Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl503 b:81.7 occ:1.00 O B:GLY207 3.4 34.6 1.0 O B:HOH626 4.0 35.7 1.0 O B:VAL209 4.2 32.2 1.0 C B:VAL209 4.3 32.5 1.0 C B:LYS208 4.4 43.5 1.0 O B:HOH713 4.4 55.7 1.0 O B:LYS208 4.4 40.9 1.0 C B:GLY207 4.4 32.0 1.0 N B:GLU210 4.4 27.2 1.0 CA B:GLU210 4.5 26.9 1.0 N B:VAL209 4.6 35.0 1.0 NH2 B:ARG165 4.6 30.3 1.0 CB B:GLU210 4.7 29.9 1.0 CA B:LYS208 4.7 34.3 1.0 CA B:VAL209 4.9 32.1 1.0 N B:LYS208 5.0 32.3 1.0

P.H.Rehse, T.Kitao, T.H.Tahirov. Structure of A Closed-Form Uroporphyrinogen-III C-Methyltransferase From Thermus Thermophilus. Acta Crystallogr.,Sect.D V. 61 913 2005.
ISSN: ISSN 0907-4449
PubMed: 15983414
DOI: 10.1107/S0907444905008838