Chlorine in PDB 3sgw: Crystal Structure of Ribose-5-Phosphate Isomerase B Rpib From Coccidioides Immitis Semi-Covalently Bound to Malonic Acid

The structure of Crystal Structure of Ribose-5-Phosphate Isomerase B Rpib From Coccidioides Immitis Semi-Covalently Bound to Malonic Acid, PDB code: 3sgw was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.08 / 1.70
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.460, 84.420, 96.170, 90.00, 90.00, 90.00
R / Rfree (%)	14.2 / 17.5

The binding sites of Chlorine atom in the Crystal Structure of Ribose-5-Phosphate Isomerase B Rpib From Coccidioides Immitis Semi-Covalently Bound to Malonic Acid (pdb code 3sgw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Ribose-5-Phosphate Isomerase B Rpib From Coccidioides Immitis Semi-Covalently Bound to Malonic Acid, PDB code: 3sgw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Ribose-5-Phosphate Isomerase B Rpib From Coccidioides Immitis Semi-Covalently Bound to Malonic Acid


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 Ribose-5-Phosphate Isomerase B Rpib From Coccidioides Immitis Semi-Covalently Bound to Malonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl167 b:8.5 occ:0.50 N A:THR100 3.1 6.0 1.0 O A:HOH186 3.2 10.2 0.5 CA A:ASP99 3.4 6.3 1.0 CG2 A:THR100 3.7 7.6 1.0 CB A:ASP99 3.7 6.9 1.0 C A:ASP99 3.8 6.2 1.0 CB A:THR100 4.0 6.6 1.0 CA A:THR100 4.1 6.8 1.0 CD1 A:LEU126 4.2 9.2 1.0 O A:HIS98 4.3 7.7 1.0 CD2 A:LEU130 4.6 8.4 1.0 N A:ASP99 4.7 6.5 1.0 C A:HIS98 4.9 8.6 1.0 CG A:ASP99 5.0 8.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Ribose-5-Phosphate Isomerase B Rpib From Coccidioides Immitis Semi-Covalently Bound to Malonic Acid


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 Ribose-5-Phosphate Isomerase B Rpib From Coccidioides Immitis Semi-Covalently Bound to Malonic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl168 b:25.8 occ:1.00 O A:HOH311 2.9 17.9 1.0 NH1 A:ARG120 3.0 27.4 1.0 O A:HOH313 3.1 24.9 1.0 CD A:ARG120 3.6 14.6 1.0 O3A A:MLA164 3.7 14.5 1.0 CG2 A:THR78 3.9 7.9 1.0 CA A:GLY77 4.0 7.5 1.0 CZ A:ARG120 4.0 24.8 1.0 NE A:ARG120 4.3 20.0 1.0 C A:GLY77 4.3 6.9 1.0 N A:THR78 4.5 7.1 1.0 C3 A:MLA164 4.6 16.5 1.0 O3B A:MLA164 4.8 11.8 1.0 CG A:ARG120 4.8 9.9 1.0 O A:HOH312 4.9 11.5 1.0 O A:GLY77 4.9 6.9 1.0 N A:GLY77 5.0 7.4 1.0

T.E.Edwards, A.B.Abramov, E.R.Smith, R.O.Baydo, J.T.Leonard, D.J.Leibly, K.B.Thompkins, M.C.Clifton, A.S.Gardberg, B.L.Staker, W.C.Van Voorhis, P.J.Myler, L.J.Stewart. Structural Characterization of A Ribose-5-Phosphate Isomerase B From the Pathogenic Fungus Coccidioides Immitis. Bmc Struct.Biol. V. 11 39 2011.
ISSN: ESSN 1472-6807
PubMed: 21995815
DOI: 10.1186/1472-6807-11-39