The binding sites of Iron atom in the structure of Catalytic Core (Subunits I and II) of Cytochrome C Oxidase From Rhodobacter Sphaeroides (pdb code 2gsm). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 2gsm structure was solved by L.QIN, C.HISER, A.MULICHAK, R.M.GARAVITO, S.FERGUSON-MILLER, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 20.0-2.0 | Space group | P212121 | a (A) | 125.020 | b (A) | 131.639 | c (A) | 176.802 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | 21.4 | Rfree (%) | 23.2 |
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Iron binding site 1 out of 4 in 2gsm
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 2gsm. 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: Thr48, A: His102, A: Phe420, A: His421, A: Hea2001, | conact list:
Atom | Atom | Distance (A) | Fe | CG2 A:Thr48 | 4.56 | Fe | NE2 A:His102 | 2.07 | Fe | ND1 A:His102 | 4.17 | Fe | CD2 A:His102 | 3.02 | Fe | CE1 A:His102 | 3.08 | Fe | CG A:His102 | 4.18 | Fe | CE1 A:Phe420 | 4.85 | Fe | NE2 A:His421 | 2.07 | Fe | ND1 A:His421 | 4.13 | Fe | CD2 A:His421 | 3.13 | Fe | CE1 A:His421 | 2.98 | Fe | CG A:His421 | 4.23 | Fe | C2D A:Hea2001 | 4.22 | Fe | NC A:Hea2001 | 1.97 | Fe | CHB A:Hea2001 | 3.39 | Fe | CHC A:Hea2001 | 3.43 | Fe | C3D A:Hea2001 | 4.24 | Fe | NA A:Hea2001 | 1.97 | Fe | CHA A:Hea2001 | 3.45 | Fe | C2A A:Hea2001 | 4.24 | Fe | C4B A:Hea2001 | 3.03 | Fe | C4A A:Hea2001 | 3.01 | Fe | C1D A:Hea2001 | 3.00 | Fe | C3A A:Hea2001 | 4.23 | Fe | C4C A:Hea2001 | 2.99 | Fe | C2B A:Hea2001 | 4.26 | Fe | C1C A:Hea2001 | 3.04 | Fe | C2C A:Hea2001 | 4.25 | Fe | ND A:Hea2001 | 1.97 | Fe | CHD A:Hea2001 | 3.36 | Fe | C1B A:Hea2001 | 3.02 | Fe | NB A:Hea2001 | 1.98 | Fe | FE A:Hea2001 | 0.00 | Fe | C3B A:Hea2001 | 4.25 | Fe | C3C A:Hea2001 | 4.23 | Fe | C4D A:Hea2001 | 3.04 | Fe | C1A A:Hea2001 | 3.03 |
| interactive model:
| Iron binding site 2 out of 4 in 2gsm
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 2gsm. 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: His419, A: Val423, A: Cu3005, A: Oh6501, A: Hea2002, A: Hoh6506, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 A:His419 | 2.11 | Fe | ND1 A:His419 | 4.24 | Fe | CD2 A:His419 | 3.00 | Fe | CE1 A:His419 | 3.17 | Fe | CG A:His419 | 4.20 | Fe | CG2 A:Val423 | 4.98 | Fe | CU A:Cu3005 | 4.89 | Fe | O A:Oh6501 | 3.98 | Fe | C2D A:Hea2002 | 4.31 | Fe | NC A:Hea2002 | 2.06 | Fe | CHB A:Hea2002 | 3.47 | Fe | CHC A:Hea2002 | 3.46 | Fe | C3D A:Hea2002 | 4.32 | Fe | NA A:Hea2002 | 2.10 | Fe | CHA A:Hea2002 | 3.46 | Fe | C2A A:Hea2002 | 4.31 | Fe | C4B A:Hea2002 | 3.13 | Fe | C4A A:Hea2002 | 3.11 | Fe | C1D A:Hea2002 | 3.09 | Fe | C3A A:Hea2002 | 4.32 | Fe | C4C A:Hea2002 | 3.09 | Fe | C2B A:Hea2002 | 4.35 | Fe | C1C A:Hea2002 | 3.09 | Fe | C2C A:Hea2002 | 4.31 | Fe | ND A:Hea2002 | 2.09 | Fe | CHD A:Hea2002 | 3.43 | Fe | C1B A:Hea2002 | 3.13 | Fe | NB A:Hea2002 | 2.13 | Fe | FE A:Hea2002 | 0.00 | Fe | C3B A:Hea2002 | 4.35 | Fe | C3C A:Hea2002 | 4.32 | Fe | C4D A:Hea2002 | 3.10 | Fe | C1A A:Hea2002 | 3.10 | Fe | O A:Hoh6506 | 2.13 |
| interactive model:
| Iron binding site 3 out of 4 in 2gsm
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 2gsm. 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: C: Thr48, C: His102, C: Phe420, C: His421, C: Hea3001, | conact list:
Atom | Atom | Distance (A) | Fe | CG2 C:Thr48 | 4.64 | Fe | NE2 C:His102 | 2.10 | Fe | ND1 C:His102 | 4.20 | Fe | CD2 C:His102 | 3.06 | Fe | CE1 C:His102 | 3.10 | Fe | CG C:His102 | 4.22 | Fe | CE1 C:Phe420 | 4.87 | Fe | NE2 C:His421 | 2.13 | Fe | ND1 C:His421 | 4.19 | Fe | CD2 C:His421 | 3.16 | Fe | CE1 C:His421 | 3.05 | Fe | CG C:His421 | 4.27 | Fe | C2D C:Hea3001 | 4.23 | Fe | NC C:Hea3001 | 1.97 | Fe | CHB C:Hea3001 | 3.43 | Fe | CHC C:Hea3001 | 3.39 | Fe | C3D C:Hea3001 | 4.23 | Fe | NA C:Hea3001 | 1.98 | Fe | CHA C:Hea3001 | 3.38 | Fe | C2A C:Hea3001 | 4.23 | Fe | C4B C:Hea3001 | 3.00 | Fe | C4A C:Hea3001 | 3.03 | Fe | C1D C:Hea3001 | 3.02 | Fe | C3A C:Hea3001 | 4.23 | Fe | C4C C:Hea3001 | 3.02 | Fe | C2B C:Hea3001 | 4.24 | Fe | C1C C:Hea3001 | 3.01 | Fe | C2C C:Hea3001 | 4.23 | Fe | ND C:Hea3001 | 1.95 | Fe | CHD C:Hea3001 | 3.42 | Fe | C1B C:Hea3001 | 3.02 | Fe | NB C:Hea3001 | 1.95 | Fe | FE C:Hea3001 | 0.00 | Fe | C3B C:Hea3001 | 4.23 | Fe | C3C C:Hea3001 | 4.24 | Fe | C4D C:Hea3001 | 3.00 | Fe | C1A C:Hea3001 | 3.00 |
| interactive model:
| Iron binding site 4 out of 4 in 2gsm
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 2gsm. 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: C: His419, C: Cu4005, C: Oh7501, C: Hea3002, C: Hoh1006, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 C:His419 | 2.12 | Fe | ND1 C:His419 | 4.22 | Fe | CD2 C:His419 | 3.12 | Fe | CE1 C:His419 | 3.10 | Fe | CG C:His419 | 4.26 | Fe | CU C:Cu4005 | 4.86 | Fe | O C:Oh7501 | 3.81 | Fe | C2D C:Hea3002 | 4.31 | Fe | NC C:Hea3002 | 2.09 | Fe | CHB C:Hea3002 | 3.50 | Fe | CHC C:Hea3002 | 3.42 | Fe | C3D C:Hea3002 | 4.30 | Fe | NA C:Hea3002 | 2.10 | Fe | CHA C:Hea3002 | 3.39 | Fe | C2A C:Hea3002 | 4.30 | Fe | C4B C:Hea3002 | 3.10 | Fe | C4A C:Hea3002 | 3.14 | Fe | C1D C:Hea3002 | 3.10 | Fe | C3A C:Hea3002 | 4.34 | Fe | C4C C:Hea3002 | 3.13 | Fe | C2B C:Hea3002 | 4.36 | Fe | C1C C:Hea3002 | 3.08 | Fe | C2C C:Hea3002 | 4.33 | Fe | ND C:Hea3002 | 2.07 | Fe | CHD C:Hea3002 | 3.48 | Fe | C1B C:Hea3002 | 3.14 | Fe | NB C:Hea3002 | 2.11 | Fe | FE C:Hea3002 | 0.00 | Fe | C3B C:Hea3002 | 4.35 | Fe | C3C C:Hea3002 | 4.35 | Fe | C4D C:Hea3002 | 3.06 | Fe | C1A C:Hea3002 | 3.07 | Fe | O C:Hoh1006 | 1.97 |
| interactive model:
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