Iron in the structure of Cytochrome C Nitrite Reductase From Wolinella Succinogenes With Bound Intermediate Hydroxylamine (pdb 2e81)

The binding sites of Iron atom in the structure of Cytochrome C Nitrite Reductase From Wolinella Succinogenes With Bound Intermediate Hydroxylamine (pdb code 2e81). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2e81 structure was solved by O.EINSLE, P.M.H.KRONECK, with X-Ray Crystallography technique, brief refinement statistics is given in the table below: Resolution (A) 25.0-2.0 Space group I4122 a (A) 119.891 b (A) 119.891 c (A) 186.224 alpha (°) 90.00 beta (°) 90.00 gamma (°) 90.00 Rfactor (%) 18.6 Rfree (%) 22.3 Iron Binding Sites: Iron binding site 1 out of 5 in 2e81 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2e81. 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: Hem1508, A: Hoa704, A: Hoh1514, A: Hoh1515, A: Hoh1589, conact list: Atom Atom Distance (A) Fe CE A:Lys134 3.16 Fe CD A:Lys134 4.53 Fe NZ A:Lys134 2.13 Fe NE2 A:His277 4.13 Fe CD2 A:His277 4.75 Fe C2D A:Hem1508 4.27 Fe NC A:Hem1508 1.99 Fe CHB A:Hem1508 3.36 Fe CHC A:Hem1508 3.40 Fe C3D A:Hem1508 4.28 Fe NA A:Hem1508 1.99 Fe CHA A:Hem1508 3.42 Fe C2A A:Hem1508 4.30 Fe C1D A:Hem1508 3.03 Fe C4A A:Hem1508 3.02 Fe C4B A:Hem1508 3.02 Fe C3A A:Hem1508 4.27 Fe C4C A:Hem1508 3.03 Fe C2B A:Hem1508 4.23 Fe C1C A:Hem1508 3.04 Fe C2C A:Hem1508 4.27 Fe ND A:Hem1508 1.98 Fe CHD A:Hem1508 3.39 Fe C1B A:Hem1508 3.00 Fe NB A:Hem1508 1.97 Fe FE A:Hem1508 0.00 Fe C3C A:Hem1508 4.28 Fe C3B A:Hem1508 4.26 Fe C4D A:Hem1508 3.03 Fe C1A A:Hem1508 3.05 Fe O A:Hoa704 2.76 Fe N A:Hoa704 1.71 Fe O A:Hoh1514 4.61 Fe O A:Hoh1515 4.83 Fe O A:Hoh1589 4.16 interactive model: Iron binding site 2 out of 5 in 2e81 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2e81. 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: Hem1509, 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 4.61 Fe NE2 A:His313 1.99 Fe ND1 A:His313 4.14 Fe CD2 A:His313 3.05 Fe CE1 A:His313 2.99 Fe CG A:His313 4.19 Fe C2D A:Hem1509 4.26 Fe NC A:Hem1509 1.99 Fe CHB A:Hem1509 3.39 Fe CHC A:Hem1509 3.40 Fe C3D A:Hem1509 4.25 Fe NA A:Hem1509 1.98 Fe CHA A:Hem1509 3.39 Fe C2A A:Hem1509 4.29 Fe C1D A:Hem1509 3.02 Fe C4A A:Hem1509 3.03 Fe C4B A:Hem1509 3.04 Fe C3A A:Hem1509 4.28 Fe C4C A:Hem1509 3.04 Fe C2B A:Hem1509 4.28 Fe C1C A:Hem1509 3.05 Fe C2C A:Hem1509 4.31 Fe ND A:Hem1509 1.97 Fe CHD A:Hem1509 3.39 Fe C1B A:Hem1509 3.03 Fe NB A:Hem1509 1.98 Fe FE A:Hem1509 0.00 Fe C3C A:Hem1509 4.30 Fe C3B A:Hem1509 4.30 Fe C4D A:Hem1509 3.01 Fe C1A A:Hem1509 3.04 interactive model: Iron binding site 3 out of 5 in 2e81 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2e81. 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: Hem1508, A: Hem1510, conact list: Atom Atom Distance (A) Fe NE2 A:His102 2.01 Fe ND1 A:His102 4.13 Fe CD2 A:His102 3.11 Fe CE1 A:His102 2.95 Fe CG A:His102 4.23 Fe NE2 A:His215 2.03 Fe ND1 A:His215 4.15 Fe CD2 A:His215 3.15 Fe CE1 A:His215 2.96 Fe CG A:His215 4.26 Fe CMD A:Hem1508 4.95 Fe C2D A:Hem1510 4.22 Fe NC A:Hem1510 1.96 Fe CHB A:Hem1510 3.33 Fe CHC A:Hem1510 3.41 Fe C3D A:Hem1510 4.25 Fe NA A:Hem1510 1.94 Fe CHA A:Hem1510 3.41 Fe C2A A:Hem1510 4.24 Fe C1D A:Hem1510 2.98 Fe C4A A:Hem1510 2.97 Fe C4B A:Hem1510 3.06 Fe C3A A:Hem1510 4.22 Fe C4C A:Hem1510 3.00 Fe C2B A:Hem1510 4.26 Fe C1C A:Hem1510 3.02 Fe C2C A:Hem1510 4.25 Fe ND A:Hem1510 1.95 Fe CHD A:Hem1510 3.34 Fe C1B A:Hem1510 3.00 Fe NB A:Hem1510 1.98 Fe FE A:Hem1510 0.00 Fe C3C A:Hem1510 4.24 Fe C3B A:Hem1510 4.30 Fe C4D A:Hem1510 3.03 Fe C1A A:Hem1510 3.02 interactive model: Iron binding site 4 out of 5 in 2e81 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2e81. 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: Hem1511, conact list: Atom Atom Distance (A) Fe NE2 A:His299 2.03 Fe ND1 A:His299 4.19 Fe CD2 A:His299 3.08 Fe CE1 A:His299 3.03 Fe CG A:His299 4.23 Fe NE2 A:His405 2.06 Fe ND1 A:His405 4.05 Fe CD2 A:His405 3.26 Fe CE1 A:His405 2.83 Fe CG A:His405 4.28 Fe C2D A:Hem1511 4.22 Fe NC A:Hem1511 1.97 Fe CHB A:Hem1511 3.36 Fe CHC A:Hem1511 3.37 Fe C3D A:Hem1511 4.22 Fe NA A:Hem1511 1.97 Fe CHA A:Hem1511 3.38 Fe C2A A:Hem1511 4.26 Fe C1D A:Hem1511 2.97 Fe C4A A:Hem1511 3.02 Fe C4B A:Hem1511 2.99 Fe C3A A:Hem1511 4.26 Fe C4C A:Hem1511 2.99 Fe C2B A:Hem1511 4.22 Fe C1C A:Hem1511 3.01 Fe C2C A:Hem1511 4.25 Fe ND A:Hem1511 1.94 Fe CHD A:Hem1511 3.32 Fe C1B A:Hem1511 2.98 Fe NB A:Hem1511 1.93 Fe FE A:Hem1511 0.00 Fe C3C A:Hem1511 4.25 Fe C3B A:Hem1511 4.24 Fe C4D A:Hem1511 3.00 Fe C1A A:Hem1511 3.02 interactive model: Iron binding site 5 out of 5 in 2e81 Click to enlarge Click to enlarge Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 5 of Iron in the PDB 2e81. 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: Hem1511, A: Hem1512, conact list: Atom Atom Distance (A) Fe NE2 A:His288 2.03 Fe ND1 A:His288 4.16 Fe CD2 A:His288 3.08 Fe CE1 A:His288 3.00 Fe CG A:His288 4.22 Fe NE2 A:His330 2.00 Fe ND1 A:His330 4.09 Fe CD2 A:His330 3.13 Fe CE1 A:His330 2.89 Fe CG A:His330 4.22 Fe CBC A:Hem1511 4.72 Fe C2D A:Hem1512 4.27 Fe NC A:Hem1512 1.96 Fe CHB A:Hem1512 3.43 Fe CHC A:Hem1512 3.34 Fe C3D A:Hem1512 4.26 Fe NA A:Hem1512 1.98 Fe CHA A:Hem1512 3.36 Fe C2A A:Hem1512 4.27 Fe C1D A:Hem1512 3.03 Fe C4A A:Hem1512 3.05 Fe C4B A:Hem1512 3.00 Fe C3A A:Hem1512 4.29 Fe C4C A:Hem1512 3.03 Fe C2B A:Hem1512 4.27 Fe C1C A:Hem1512 2.99 Fe C2C A:Hem1512 4.25 Fe ND A:Hem1512 1.97 Fe CHD A:Hem1512 3.41 Fe C1B A:Hem1512 3.03 Fe NB A:Hem1512 1.97 Fe FE A:Hem1512 0.00 Fe C3C A:Hem1512 4.28 Fe C3B A:Hem1512 4.25 Fe C4D A:Hem1512 3.01 Fe C1A A:Hem1512 3.02 interactive model: