Arsenic in the structure of Escherichia Coli Glycerol Kinase Mutant With Bound Atp Analog Showing Substantial Domain Motion (pdb 1glj)

The binding sites of Arsenic atom in the structure of Escherichia Coli Glycerol Kinase Mutant With Bound Atp Analog Showing Substantial Domain Motion (pdb code 1glj). This binding sites where shown with 5.0 Angstroms radius around Arsenic atom. The 1glj structure was solved by C.E.BYSTROM, D.W.PETTIGREW, B.P.BRANCHAUD, S.J.REMINGTON, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 20.0-3.0 Space group C2221 a (A) 99.668 b (A) 200.699 c (A) 114.733 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) n/a Rfree (%) n/a Arsenic Binding Sites: Arsenic binding site 1 out of 2 in 1glj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Arsenic in the PDB 1glj. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: Y: Gly12, Y: Thr13, Y: Thr14, Y: Ser15, Y: Thr267, Y: Mg602, Y: Ats601, conact list: Atom Atom Distance (A) As C Y:Gly12 4.11 As CA Y:Gly12 4.06 As N Y:Thr13 3.57 As CB Y:Thr13 4.16 As OG1 Y:Thr13 4.04 As C Y:Thr13 4.48 As CA Y:Thr13 4.24 As N Y:Thr14 3.74 As CB Y:Thr14 4.68 As CG2 Y:Thr14 4.89 As OG1 Y:Thr14 3.85 As CA Y:Thr14 4.65 As N Y:Ser15 4.57 As OG Y:Ser15 4.66 As CB Y:Thr267 4.37 As OG1 Y:Thr267 3.85 As MG Y:Mg602 3.89 As OG3 Y:Ats601 1.74 As OB2 Y:Ats601 3.89 As O13 Y:Ats601 3.94 As OG1 Y:Ats601 1.65 As OG2 Y:Ats601 1.69 As OB1 Y:Ats601 2.75 As C3B Y:Ats601 1.91 As PB Y:Ats601 2.86 As O11 Y:Ats601 4.72 As AS1 Y:Ats601 0.00 interactive model: Arsenic binding site 2 out of 2 in 1glj Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Arsenic in the PDB 1glj. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Arsenic atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: O: Gly12, O: Thr13, O: Thr14, O: Thr267, O: Ats601, conact list: Atom Atom Distance (A) As C O:Gly12 4.44 As CA O:Gly12 4.47 As N O:Thr13 3.67 As CB O:Thr13 4.10 As OG1 O:Thr13 4.50 As C O:Thr13 4.59 As CA O:Thr13 4.27 As N O:Thr14 3.91 As CB O:Thr14 4.47 As CG2 O:Thr14 4.70 As OG1 O:Thr14 3.40 As CA O:Thr14 4.72 As OG1 O:Thr267 4.39 As OG3 O:Ats601 1.72 As PA O:Ats601 4.96 As OB2 O:Ats601 3.81 As O13 O:Ats601 4.30 As OG1 O:Ats601 1.65 As OG2 O:Ats601 1.75 As OB1 O:Ats601 3.05 As C3B O:Ats601 1.92 As PB O:Ats601 3.02 As O11 O:Ats601 4.25 As AS1 O:Ats601 0.00 interactive model: