Iron in the structure of Cytochrome C Nitrite Reductase From Wolinella Succinogenes (pdb 1fs7)

The binding sites of Iron atom in the structure of Cytochrome C Nitrite Reductase From Wolinella Succinogenes (pdb code 1fs7). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1fs7 structure was solved by O.EINSLE, P.STACH, A.MESSERSCHMIDT, J.SIMON, A.KROEGER, R.HUBER, P.M.H.KRONECK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.0-1.6 Space group I4122 a (A) 119.822 b (A) 119.822 c (A) 186.025 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18 Rfree (%) 20.7 Iron Binding Sites: Iron binding site 1 out of 5 in 1fs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1fs7. 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: Lys134, A: His277, A: Hem508, A: Hem510, A: Hoh658, A: Hoh660, A: Hoh712, A: Hoh724, conact list: Atom Atom Distance (A) Fe CE A:Lys134 3.05 Fe CD A:Lys134 4.43 Fe NZ A:Lys134 2.12 Fe NE2 A:His277 4.03 Fe CD2 A:His277 4.72 Fe CE1 A:His277 5.00 Fe C2D A:Hem508 4.28 Fe NC A:Hem508 1.98 Fe CHB A:Hem508 3.41 Fe CHC A:Hem508 3.40 Fe C3D A:Hem508 4.27 Fe NA A:Hem508 1.98 Fe CHA A:Hem508 3.40 Fe C2A A:Hem508 4.27 Fe C1D A:Hem508 3.03 Fe C4A A:Hem508 3.04 Fe C4B A:Hem508 3.04 Fe C3A A:Hem508 4.28 Fe C4C A:Hem508 3.02 Fe C2B A:Hem508 4.29 Fe C1C A:Hem508 3.04 Fe C2C A:Hem508 4.28 Fe ND A:Hem508 1.97 Fe CHD A:Hem508 3.38 Fe C1B A:Hem508 3.05 Fe NB A:Hem508 1.99 Fe FE A:Hem508 0.00 Fe C3C A:Hem508 4.28 Fe C3B A:Hem508 4.31 Fe C4D A:Hem508 3.03 Fe C1A A:Hem508 3.03 Fe CMD A:Hem510 4.95 Fe O A:Hoh658 2.03 Fe O A:Hoh660 4.25 Fe O A:Hoh712 4.51 Fe O A:Hoh724 4.25 interactive model: Iron binding site 2 out of 5 in 1fs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1fs7. 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: His172, A: Met300, A: His313, A: Hem509, conact list: Atom Atom Distance (A) Fe NE2 A:His172 1.96 Fe ND1 A:His172 4.06 Fe CD2 A:His172 3.03 Fe CE1 A:His172 2.90 Fe CG A:His172 4.14 Fe CE A:Met300 4.59 Fe NE2 A:His313 2.04 Fe ND1 A:His313 4.21 Fe CD2 A:His313 3.03 Fe CE1 A:His313 3.09 Fe CG A:His313 4.21 Fe C2D A:Hem509 4.26 Fe NC A:Hem509 1.97 Fe CHB A:Hem509 3.39 Fe CHC A:Hem509 3.40 Fe C3D A:Hem509 4.24 Fe NA A:Hem509 1.97 Fe CHA A:Hem509 3.39 Fe C2A A:Hem509 4.27 Fe C1D A:Hem509 3.01 Fe C4A A:Hem509 3.01 Fe C4B A:Hem509 3.05 Fe C3A A:Hem509 4.25 Fe C4C A:Hem509 3.01 Fe C2B A:Hem509 4.29 Fe C1C A:Hem509 3.03 Fe C2C A:Hem509 4.27 Fe ND A:Hem509 1.96 Fe CHD A:Hem509 3.38 Fe C1B A:Hem509 3.04 Fe NB A:Hem509 2.00 Fe FE A:Hem509 0.00 Fe C3C A:Hem509 4.26 Fe C3B A:Hem509 4.31 Fe C4D A:Hem509 3.01 Fe C1A A:Hem509 3.03 interactive model: Iron binding site 3 out of 5 in 1fs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1fs7. 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: His102, A: His215, A: Hem510, conact list: Atom Atom Distance (A) Fe NE2 A:His102 2.04 Fe ND1 A:His102 4.14 Fe CD2 A:His102 3.16 Fe CE1 A:His102 2.95 Fe CG A:His102 4.26 Fe NE2 A:His215 2.04 Fe ND1 A:His215 4.16 Fe CD2 A:His215 3.12 Fe CE1 A:His215 2.99 Fe CG A:His215 4.24 Fe C2D A:Hem510 4.24 Fe NC A:Hem510 1.95 Fe CHB A:Hem510 3.33 Fe CHC A:Hem510 3.38 Fe C3D A:Hem510 4.26 Fe NA A:Hem510 1.96 Fe CHA A:Hem510 3.43 Fe C2A A:Hem510 4.26 Fe C1D A:Hem510 3.00 Fe C4A A:Hem510 2.99 Fe C4B A:Hem510 3.04 Fe C3A A:Hem510 4.24 Fe C4C A:Hem510 3.01 Fe C2B A:Hem510 4.25 Fe C1C A:Hem510 3.00 Fe C2C A:Hem510 4.23 Fe ND A:Hem510 1.97 Fe CHD A:Hem510 3.37 Fe C1B A:Hem510 3.00 Fe NB A:Hem510 1.98 Fe FE A:Hem510 0.00 Fe C3C A:Hem510 4.25 Fe C3B A:Hem510 4.29 Fe C4D A:Hem510 3.05 Fe C1A A:Hem510 3.03 interactive model: Iron binding site 4 out of 5 in 1fs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1fs7. 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: His299, A: His405, A: Hem511, conact list: Atom Atom Distance (A) Fe NE2 A:His299 2.04 Fe ND1 A:His299 4.19 Fe CD2 A:His299 3.07 Fe CE1 A:His299 3.04 Fe CG A:His299 4.22 Fe NE2 A:His405 2.13 Fe ND1 A:His405 4.14 Fe CD2 A:His405 3.30 Fe CE1 A:His405 2.92 Fe CG A:His405 4.33 Fe C2D A:Hem511 4.23 Fe NC A:Hem511 1.97 Fe CHB A:Hem511 3.36 Fe CHC A:Hem511 3.37 Fe C3D A:Hem511 4.22 Fe NA A:Hem511 1.97 Fe CHA A:Hem511 3.35 Fe C2A A:Hem511 4.25 Fe C1D A:Hem511 2.99 Fe C4A A:Hem511 3.01 Fe C4B A:Hem511 3.02 Fe C3A A:Hem511 4.25 Fe C4C A:Hem511 3.01 Fe C2B A:Hem511 4.25 Fe C1C A:Hem511 3.01 Fe C2C A:Hem511 4.26 Fe ND A:Hem511 1.94 Fe CHD A:Hem511 3.35 Fe C1B A:Hem511 3.00 Fe NB A:Hem511 1.95 Fe FE A:Hem511 0.00 Fe C3C A:Hem511 4.26 Fe C3B A:Hem511 4.26 Fe C4D A:Hem511 2.98 Fe C1A A:Hem511 3.01 interactive model: Iron binding site 5 out of 5 in 1fs7 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 1fs7. 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: His288, A: His330, A: Hem511, A: Hem512, conact list: Atom Atom Distance (A) Fe NE2 A:His288 2.04 Fe ND1 A:His288 4.13 Fe CD2 A:His288 3.13 Fe CE1 A:His288 2.96 Fe CG A:His288 4.24 Fe NE2 A:His330 2.02 Fe ND1 A:His330 4.07 Fe CD2 A:His330 3.20 Fe CE1 A:His330 2.84 Fe CG A:His330 4.26 Fe CBC A:Hem511 4.78 Fe C2D A:Hem512 4.27 Fe NC A:Hem512 1.96 Fe CHB A:Hem512 3.40 Fe CHC A:Hem512 3.34 Fe C3D A:Hem512 4.26 Fe NA A:Hem512 1.98 Fe CHA A:Hem512 3.36 Fe C2A A:Hem512 4.27 Fe C1D A:Hem512 3.03 Fe C4A A:Hem512 3.04 Fe C4B A:Hem512 3.00 Fe C3A A:Hem512 4.28 Fe C4C A:Hem512 3.03 Fe C2B A:Hem512 4.26 Fe C1C A:Hem512 2.99 Fe C2C A:Hem512 4.24 Fe ND A:Hem512 1.97 Fe CHD A:Hem512 3.40 Fe C1B A:Hem512 3.02 Fe NB A:Hem512 1.97 Fe FE A:Hem512 0.00 Fe C3C A:Hem512 4.27 Fe C3B A:Hem512 4.26 Fe C4D A:Hem512 3.01 Fe C1A A:Hem512 3.02 interactive model: