Iron in the structure of Crystal Structure of Tryptophanyl-Trna Synthetase (Ec 6.1.1.2) (Tryptophan-Trna Ligase)(Trprs) (TM0492) From Thermotoga Maritima At 2.50 A Resolution (pdb 2g36)

The binding sites of Iron atom in the structure of Crystal Structure of Tryptophanyl-Trna Synthetase (Ec 6.1.1.2) (Tryptophan-Trna Ligase)(Trprs) (TM0492) From Thermotoga Maritima At 2.50 A Resolution (pdb code 2g36). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2g36 structure was solved by JOINT CENTER FOR STRUCTURAL GENOMICS (JCSG), with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 29.6-2.5 Space group C2221 a (A) 122.890 b (A) 152.730 c (A) 53.070 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 19.4 Rfree (%) 25.6 Iron Binding Sites: Iron binding site 1 out of 4 in 2g36 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2g36. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Arg224, A: Pro233, A: Cys236, A: Cys259, A: Cys266, A: Cys269, A: Sf4400, conact list: Atom Atom Distance (A) Fe CD A:Arg224 4.34 Fe NH1 A:Arg224 4.33 Fe N A:Pro233 4.95 Fe CB A:Pro233 4.98 Fe CG A:Pro233 4.59 Fe CA A:Pro233 4.88 Fe SG A:Cys236 4.70 Fe CB A:Cys259 3.17 Fe SG A:Cys259 2.34 Fe CA A:Cys259 4.28 Fe SG A:Cys266 4.73 Fe SG A:Cys269 4.85 Fe S1 A:Sf4400 3.92 Fe FE1 A:Sf4400 0.00 Fe FE3 A:Sf4400 2.72 Fe S4 A:Sf4400 2.30 Fe FE2 A:Sf4400 2.71 Fe S2 A:Sf4400 2.31 Fe FE4 A:Sf4400 2.63 Fe S3 A:Sf4400 2.34 interactive model: Iron binding site 2 out of 4 in 2g36 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2g36. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Thr220, A: Asp221, A: Cys236, A: Val238, A: Trp239, A: Cys259, A: Cys266, A: Cys269, A: Sf4400, conact list: Atom Atom Distance (A) Fe CB A:Thr220 4.14 Fe CG2 A:Thr220 4.26 Fe C A:Thr220 4.98 Fe CA A:Thr220 4.45 Fe N A:Asp221 4.36 Fe CB A:Cys236 3.35 Fe SG A:Cys236 2.28 Fe CA A:Cys236 4.75 Fe CB A:Val238 4.08 Fe CG2 A:Val238 4.52 Fe CG1 A:Val238 4.78 Fe N A:Trp239 4.78 Fe SG A:Cys259 4.88 Fe SG A:Cys266 4.66 Fe SG A:Cys269 4.78 Fe S1 A:Sf4400 2.29 Fe FE1 A:Sf4400 2.71 Fe FE3 A:Sf4400 2.68 Fe S4 A:Sf4400 2.31 Fe FE2 A:Sf4400 0.00 Fe S2 A:Sf4400 3.90 Fe FE4 A:Sf4400 2.62 Fe S3 A:Sf4400 2.30 interactive model: Iron binding site 3 out of 4 in 2g36 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2g36. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Cys236, A: Val238, A: Val255, A: Cys259, A: Cys266, A: Cys269, A: Sf4400, conact list: Atom Atom Distance (A) Fe SG A:Cys236 4.76 Fe CB A:Val238 4.71 Fe CG1 A:Val238 4.52 Fe CG1 A:Val255 4.40 Fe CB A:Cys259 4.88 Fe SG A:Cys259 4.83 Fe SG A:Cys266 4.73 Fe CA A:Cys266 4.74 Fe CB A:Cys269 3.21 Fe SG A:Cys269 2.30 Fe CA A:Cys269 4.65 Fe S1 A:Sf4400 2.32 Fe FE1 A:Sf4400 2.72 Fe FE3 A:Sf4400 0.00 Fe S4 A:Sf4400 2.32 Fe FE2 A:Sf4400 2.68 Fe S2 A:Sf4400 2.31 Fe FE4 A:Sf4400 2.72 Fe S3 A:Sf4400 3.96 interactive model: Iron binding site 4 out of 4 in 2g36 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2g36. Coordination sphere was calculated for all residues within 5.0 Angstroms distance from the central Iron atom, shown by VdW sphere Residues shown as a stick model or VDW spheres: A: Thr220, A: Arg224, A: Cys236, A: Cys259, A: Cys266, A: Cys269, A: Sf4400, conact list: Atom Atom Distance (A) Fe CB A:Thr220 4.20 Fe CG2 A:Thr220 4.16 Fe OG1 A:Thr220 4.99 Fe CD A:Arg224 4.06 Fe CZ A:Arg224 4.90 Fe NE A:Arg224 4.94 Fe NH1 A:Arg224 3.98 Fe SG A:Cys236 4.69 Fe SG A:Cys259 4.66 Fe N A:Cys266 4.35 Fe CB A:Cys266 3.34 Fe SG A:Cys266 2.30 Fe C A:Cys266 4.98 Fe CA A:Cys266 3.71 Fe CB A:Cys269 4.72 Fe SG A:Cys269 4.68 Fe S1 A:Sf4400 2.33 Fe FE1 A:Sf4400 2.63 Fe FE3 A:Sf4400 2.72 Fe S4 A:Sf4400 3.85 Fe FE2 A:Sf4400 2.62 Fe S2 A:Sf4400 2.35 Fe FE4 A:Sf4400 0.00 Fe S3 A:Sf4400 2.30 interactive model: