Chlorine in PDB 3ixq: Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii

All present enzymatic activity of Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii:
5.3.1.6;

The structure of Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii, PDB code: 3ixq was solved by S.V.Antonyuk, M.J.Ellis, R.W.Strange, S.S.Hasnain, Y.Bessho, S.Kuramitsu, S.Yokoyama, Riken Structural Genomics/Proteomics Initiative (Rsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.78
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.856, 100.273, 80.465, 90.00, 92.54, 90.00
R / Rfree (%)	14.8 / 18.8

The binding sites of Chlorine atom in the Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii (pdb code 3ixq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii, PDB code: 3ixq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl231 b:17.0 occ:1.00 OE2 A:GLU106 2.9 13.4 1.0 O1 A:PGO233 3.2 24.4 1.0 N A:CYS102 3.2 8.4 1.0 N A:GLY100 3.4 10.7 1.0 C A:GLY100 3.5 9.6 1.0 CA A:GLY100 3.5 10.7 1.0 N A:GLY101 3.5 9.4 1.0 CA A:GLY98 3.5 10.1 1.0 OE1 A:GLU106 3.6 8.7 1.0 CD A:GLU106 3.6 9.1 1.0 CB A:CYS102 3.8 9.9 1.0 N A:GLY98 3.8 10.3 1.0 CA A:CYS102 3.9 8.7 1.0 C A:GLY98 3.9 10.4 1.0 C1 A:PGO233 4.0 27.6 1.0 O A:GLY100 4.0 9.6 1.0 C A:CYS102 4.1 8.2 1.0 O A:HOH371 4.1 31.5 1.0 N A:HIS103 4.2 7.3 1.0 C2 A:PGO233 4.2 28.8 1.0 N A:GLY99 4.2 10.4 1.0 C A:GLY101 4.3 10.0 1.0 CG2 A:THR28 4.4 9.9 1.0 O A:GLY98 4.4 9.5 1.0 CA A:GLY101 4.4 9.4 1.0 C A:GLY99 4.5 10.9 1.0 O A:HOH290 4.6 21.6 1.0 SG A:CYS102 4.6 10.5 1.0 CB A:THR28 4.8 9.3 1.0 C3 A:PGO233 4.8 27.9 1.0 O A:CYS102 4.8 7.2 1.0 CA A:GLY99 5.0 11.1 1.0 CA A:HIS103 5.0 7.8 1.0

Chlorine binding site 2 out of 4 in the Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl231 b:22.1 occ:1.00 OE2 B:GLU106 3.0 16.6 1.0 O1 B:PGO233 3.2 29.8 1.0 N B:CYS102 3.2 10.5 1.0 N B:GLY100 3.2 12.7 1.0 CA B:GLY100 3.4 12.9 1.0 C B:GLY100 3.4 12.6 1.0 N B:GLY101 3.4 11.6 1.0 OE1 B:GLU106 3.5 12.2 1.0 CA B:GLY98 3.5 11.6 1.0 CD B:GLU106 3.6 9.4 1.0 CB B:CYS102 3.7 11.0 1.0 CA B:CYS102 3.8 10.0 1.0 N B:GLY98 3.8 11.9 1.0 C B:GLY98 3.8 11.9 1.0 O2 B:PGO233 3.9 38.0 1.0 C B:CYS102 4.0 9.7 1.0 N B:HIS103 4.1 9.2 1.0 C2 B:PGO233 4.1 35.9 1.0 O B:GLY100 4.1 13.7 1.0 C1 B:PGO233 4.2 34.0 1.0 N B:GLY99 4.2 11.5 1.0 C B:GLY101 4.2 11.0 1.0 O B:GLY98 4.3 11.1 1.0 CA B:GLY101 4.4 11.8 1.0 C B:GLY99 4.4 12.3 1.0 CG2 B:THR28 4.7 12.8 1.0 SG B:CYS102 4.7 12.3 1.0 O B:HOH577 4.7 33.4 1.0 O B:CYS102 4.7 9.3 1.0 CA B:HIS103 4.8 9.4 1.0 CB B:THR28 4.9 13.0 1.0 CA B:GLY99 4.9 12.1 1.0

Chlorine binding site 3 out of 4 in the Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl231 b:17.0 occ:1.00 OE2 C:GLU106 2.9 12.9 1.0 N C:CYS102 3.1 9.0 1.0 O1 C:PGO233 3.2 25.9 0.5 O2 C:PGO233 3.2 20.1 1.0 N C:GLY100 3.3 10.4 1.0 C C:GLY100 3.4 9.8 1.0 CA C:GLY100 3.4 10.5 1.0 N C:GLY101 3.4 9.6 1.0 CA C:GLY98 3.5 9.7 1.0 CD C:GLU106 3.7 9.4 1.0 OE1 C:GLU106 3.7 10.4 1.0 CB C:CYS102 3.7 9.8 1.0 N C:GLY98 3.8 10.0 1.0 CA C:CYS102 3.8 9.1 1.0 C C:GLY98 3.9 10.1 1.0 O C:GLY100 4.0 9.7 1.0 C C:CYS102 4.1 9.6 1.0 N C:HIS103 4.1 8.4 1.0 C2 C:PGO233 4.1 24.8 1.0 C1 C:PGO233 4.2 26.2 1.0 C C:GLY101 4.2 9.9 1.0 N C:GLY99 4.2 11.2 1.0 CA C:GLY101 4.4 10.0 1.0 O C:GLY98 4.4 10.6 1.0 C C:GLY99 4.5 11.2 1.0 CG2 C:THR28 4.5 10.4 1.0 SG C:CYS102 4.6 9.5 1.0 O C:HOH282 4.7 19.5 1.0 CB C:THR28 4.7 10.0 1.0 C3 C:PGO233 4.8 24.0 1.0 O C:CYS102 4.8 8.9 1.0 CA C:HIS103 4.9 8.1 1.0 CA C:GLY99 4.9 10.7 1.0

Chlorine binding site 4 out of 4 in the Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Ribose 5-Phosphate Isomerase A From Methanocaldococcus Jannaschii within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl231 b:23.1 occ:1.00 OE2 D:GLU106 2.9 19.3 1.0 N D:CYS102 3.2 11.7 1.0 O1 D:PGO233 3.2 28.8 1.0 N D:GLY100 3.3 13.2 1.0 CA D:GLY100 3.4 13.7 1.0 C1 D:PGO233 3.4 34.5 1.0 C D:GLY100 3.4 12.4 1.0 N D:GLY101 3.4 12.6 1.0 CA D:GLY98 3.5 12.6 1.0 OE1 D:GLU106 3.6 13.9 1.0 CD D:GLU106 3.6 12.0 1.0 CB D:CYS102 3.7 12.2 1.0 CA D:CYS102 3.8 11.6 1.0 C D:GLY98 3.8 13.0 1.0 N D:GLY98 3.8 11.7 1.0 C D:CYS102 4.0 11.0 1.0 N D:HIS103 4.0 10.3 1.0 O D:GLY100 4.1 14.5 1.0 N D:GLY99 4.2 12.8 1.0 C D:GLY101 4.2 12.5 1.0 O D:GLY98 4.3 12.6 1.0 CA D:GLY101 4.4 12.6 1.0 CG2 D:THR28 4.4 14.4 1.0 C D:GLY99 4.5 13.6 1.0 O D:HOH302 4.5 25.7 1.0 C2 D:PGO233 4.6 35.5 1.0 SG D:CYS102 4.7 11.8 1.0 O D:CYS102 4.7 10.5 1.0 O2 D:PGO233 4.8 35.7 1.0 CB D:THR28 4.8 14.6 1.0 CA D:HIS103 4.8 10.5 1.0 CA D:GLY99 4.9 13.3 1.0

R.W.Strange, S.V.Antonyuk, M.J.Ellis, Y.Bessho, S.Kuramitsu, S.Yokoyama, S.S.Hasnain. The Structure of An Archaeal Ribose-5-Phosphate Isomerase From Methanocaldococcus Jannaschii (MJ1603). Acta Crystallogr.,Sect.F V. 65 1214 2009.
ISSN: ESSN 1744-3091
PubMed: 20054114
DOI: 10.1107/S1744309109044923