Iron in the structure of Archaeal Rnap-Dna Binary Complex At 4.32ANG (pdb 4b1p)

The binding sites of Iron atom in the structure of Archaeal Rnap-Dna Binary Complex At 4.32ANG (pdb code 4b1p). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 4b1p structure was solved by M.N.WOJTAS, M.MOGNI, O.MILLET, S.D.BELL, N.G.A.ABRESCIA, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 50.4-4.3 Space group P1211 a (A) 134.134 b (A) 199.416 c (A) 214.246 alpha (°) 90.00 beta (°) 103.54 gamma (°) 90.00 Rfactor (%) 29.17 Rfree (%) 31.05 Iron Binding Sites: Iron binding site 1 out of 3 in 4b1p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 4b1p. 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: S: Cys183, S: Pro184, S: Val187, S: Phe188, S: Cys203, S: Cys206, S: Glu207, S: Glu208, S: Cys209, S: Ile219, S: F3s1001, conact list: Atom Atom Distance (A) Fe HB2 S:Cys183 4.02 Fe HG S:Cys183 4.57 Fe CB S:Cys183 4.60 Fe HA S:Cys183 4.34 Fe SG S:Cys183 4.36 Fe HD2 S:Pro184 4.45 Fe HB S:Val187 4.99 Fe HG22 S:Val187 4.77 Fe HE1 S:Phe188 4.04 Fe CE2 S:Phe188 4.73 Fe SG S:Cys203 4.55 Fe HB2 S:Cys206 4.64 Fe CB S:Cys206 4.14 Fe HB3 S:Cys206 3.56 Fe SG S:Cys206 3.58 Fe N S:Glu207 4.32 Fe CA S:Glu207 4.81 Fe HA S:Glu207 4.37 Fe H S:Glu207 3.65 Fe HB2 S:Glu208 4.34 Fe N S:Glu208 4.49 Fe H S:Glu208 3.89 Fe HB2 S:Cys209 4.36 Fe N S:Cys209 4.12 Fe CB S:Cys209 3.69 Fe HB3 S:Cys209 3.64 Fe SG S:Cys209 2.30 Fe H S:Cys209 3.31 Fe CA S:Cys209 4.57 Fe HG13 S:Ile219 4.99 Fe HG12 S:Ile219 4.15 Fe CG1 S:Ile219 4.95 Fe HD12 S:Ile219 4.74 Fe S1 S:F3s1001 2.29 Fe FE1 S:F3s1001 0.00 Fe FE3 S:F3s1001 2.70 Fe S4 S:F3s1001 3.89 Fe S2 S:F3s1001 2.28 Fe FE4 S:F3s1001 2.71 Fe S3 S:F3s1001 2.28 interactive model: Iron binding site 2 out of 3 in 4b1p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 4b1p. 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: S: Cys183, S: Pro184, S: Glu185, S: Val187, S: Cys203, S: Thr204, S: Leu205, S: Cys206, S: Glu207, S: Glu208, S: Cys209, S: F3s1001, conact list: Atom Atom Distance (A) Fe HA S:Cys183 4.95 Fe SG S:Cys183 4.81 Fe CD S:Pro184 4.61 Fe HD2 S:Pro184 3.74 Fe HG2 S:Pro184 4.59 Fe HD3 S:Pro184 4.90 Fe HB2 S:Glu185 4.81 Fe HG3 S:Glu185 4.43 Fe CG S:Glu185 4.76 Fe HG2 S:Glu185 4.21 Fe HG22 S:Val187 4.81 Fe HA S:Cys203 4.06 Fe SG S:Cys203 4.18 Fe CA S:Cys203 4.85 Fe N S:Thr204 4.12 Fe C S:Thr204 4.61 Fe HG1 S:Thr204 4.55 Fe CA S:Thr204 4.84 Fe O S:Thr204 4.32 Fe H S:Thr204 3.26 Fe OG1 S:Thr204 4.10 Fe C S:Leu205 4.49 Fe O S:Leu205 4.20 Fe HB2 S:Cys206 2.26 Fe N S:Cys206 4.38 Fe CB S:Cys206 2.23 Fe HB3 S:Cys206 1.92 Fe HA S:Cys206 4.25 Fe SG S:Cys206 2.33 Fe H S:Cys206 4.96 Fe C S:Cys206 4.42 Fe CA S:Cys206 3.74 Fe N S:Glu207 4.10 Fe H S:Glu207 3.43 Fe H S:Glu208 4.41 Fe SG S:Cys209 4.81 Fe S1 S:F3s1001 2.28 Fe FE1 S:F3s1001 2.70 Fe FE3 S:F3s1001 0.00 Fe S4 S:F3s1001 2.28 Fe S2 S:F3s1001 3.86 Fe FE4 S:F3s1001 2.70 Fe S3 S:F3s1001 2.28 interactive model: Iron binding site 3 out of 3 in 4b1p Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 4b1p. 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: S: Val170, S: Cys183, S: Glu185, S: Val187, S: Cys203, S: Thr204, S: Cys206, S: Glu207, S: Cys209, S: Ile219, S: F3s1001, conact list: Atom Atom Distance (A) Fe HG22 S:Val170 4.47 Fe HG23 S:Val170 4.68 Fe HG S:Cys183 4.26 Fe SG S:Cys183 4.44 Fe HB2 S:Glu185 4.60 Fe HB S:Val187 3.95 Fe CB S:Val187 4.22 Fe HG12 S:Val187 4.05 Fe CG2 S:Val187 3.44 Fe CG1 S:Val187 4.66 Fe HG21 S:Val187 3.54 Fe HG22 S:Val187 2.58 Fe HG23 S:Val187 4.09 Fe HB2 S:Cys203 3.06 Fe N S:Cys203 4.61 Fe CB S:Cys203 3.10 Fe HB3 S:Cys203 4.00 Fe HA S:Cys203 2.88 Fe SG S:Cys203 2.29 Fe C S:Cys203 4.29 Fe CA S:Cys203 3.48 Fe N S:Thr204 4.01 Fe O S:Thr204 4.53 Fe H S:Thr204 3.34 Fe HB2 S:Cys206 4.74 Fe CB S:Cys206 4.72 Fe HB3 S:Cys206 4.03 Fe SG S:Cys206 4.86 Fe H S:Glu207 4.92 Fe SG S:Cys209 4.55 Fe HG13 S:Ile219 4.79 Fe HG12 S:Ile219 4.53 Fe S1 S:F3s1001 3.91 Fe FE1 S:F3s1001 2.71 Fe FE3 S:F3s1001 2.70 Fe S4 S:F3s1001 2.28 Fe S2 S:F3s1001 2.28 Fe FE4 S:F3s1001 0.00 Fe S3 S:F3s1001 2.28 interactive model: