Iron in the structure of Formation Of A Protein Intermediate and Its Trapping By The Simultaneous Crystallization Process: Crystal Structure Of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin At 2.7 Resolution (pdb 1i6q)

The binding sites of Iron atom in the structure of Formation Of A Protein Intermediate and Its Trapping By The Simultaneous Crystallization Process: Crystal Structure Of An Iron-Saturated Intermediate in the FE3+ Binding Pathway of Camel Lactoferrin At 2.7 Resolution (pdb code 1i6q). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1i6q structure was solved by J.A.KHAN, P.KUMAR, A.SRINIVASAN, T.P.SINGH, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.0-2.7 Space group C121 a (A) 175.910 b (A) 80.620 c (A) 56.290 alpha (°) 90.00 beta (°) 92.37 gamma (°) 90.00 Rfactor (%) 18.8 Rfree (%) 25.5 Iron Binding Sites: Iron binding site 1 out of 2 in 1i6q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1i6q. 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: Tyr92, A: Arg121, A: Ser122, A: Ala123, A: Tyr192, A: Co3692, conact list: Atom Atom Distance (A) Fe CE2 A:Tyr92 4.38 Fe CZ A:Tyr92 3.78 Fe CE1 A:Tyr92 4.75 Fe OH A:Tyr92 2.67 Fe CG A:Arg121 4.85 Fe NH1 A:Arg121 4.44 Fe N A:Ser122 4.80 Fe CB A:Ser122 3.69 Fe OG A:Ser122 4.54 Fe CA A:Ser122 4.82 Fe N A:Ala123 4.45 Fe CB A:Ala123 3.94 Fe CA A:Ala123 4.87 Fe CE2 A:Tyr192 4.03 Fe CZ A:Tyr192 3.71 Fe CE1 A:Tyr192 4.89 Fe OH A:Tyr192 2.66 Fe O1 A:Co3692 2.79 Fe O2 A:Co3692 2.80 Fe C A:Co3692 2.71 Fe O3 A:Co3692 3.95 interactive model: Iron binding site 2 out of 2 in 1i6q Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1i6q. 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: Tyr433, A: Arg463, A: Thr464, A: Ala465, A: Tyr526, A: Co3693, conact list: Atom Atom Distance (A) Fe OH A:Tyr433 3.90 Fe CB A:Arg463 3.28 Fe CD A:Arg463 4.22 Fe CZ A:Arg463 4.52 Fe C A:Arg463 4.37 Fe CG A:Arg463 4.27 Fe NE A:Arg463 4.10 Fe NH2 A:Arg463 4.98 Fe CA A:Arg463 4.19 Fe N A:Thr464 3.81 Fe CB A:Thr464 4.17 Fe OG1 A:Thr464 4.64 Fe CA A:Thr464 4.66 Fe N A:Ala465 4.75 Fe CE2 A:Tyr526 4.78 Fe CZ A:Tyr526 3.73 Fe CE1 A:Tyr526 4.31 Fe OH A:Tyr526 2.48 Fe O1 A:Co3693 2.56 Fe O2 A:Co3693 2.57 Fe C A:Co3693 2.88 Fe O3 A:Co3693 3.71 interactive model: