The binding sites of Iron atom in the structure of Cross-Linked, Carbonmonoxy Hemoglobin A (pdb code 1sdl). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1sdl structure was solved by M.A.SCHUMACHER, M.M.DIXON, R.KLUGER, R.T.JONES, R.G.BRENNAN, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 1.8 | Space group | C121 | a (A) | 104.430 | b (A) | 72.160 | c (A) | 88.030 | alpha (°) | 90.00 | beta (°) | 108.25 | gamma (°) | 90.00 | Rfactor (%) | n/a | Rfree (%) | n/a |
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Iron binding site 1 out of 4 in 1sdl
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1sdl. 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: His58, A: Val62, A: His87, A: Hem200, A: Cmo201, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 A:His58 | 4.44 | Fe | CG2 A:Val62 | 4.86 | Fe | NE2 A:His87 | 1.98 | Fe | ND1 A:His87 | 4.09 | Fe | CD2 A:His87 | 3.08 | Fe | CE1 A:His87 | 2.90 | Fe | CG A:His87 | 4.17 | Fe | C2D A:Hem200 | 4.30 | Fe | NC A:Hem200 | 2.06 | Fe | CHB A:Hem200 | 3.47 | Fe | CHC A:Hem200 | 3.42 | Fe | C3D A:Hem200 | 4.28 | Fe | NA A:Hem200 | 2.02 | Fe | CHA A:Hem200 | 3.41 | Fe | C2A A:Hem200 | 4.28 | Fe | C1D A:Hem200 | 3.06 | Fe | C4A A:Hem200 | 3.09 | Fe | C4B A:Hem200 | 3.04 | Fe | C3A A:Hem200 | 4.30 | Fe | C4C A:Hem200 | 3.09 | Fe | C2B A:Hem200 | 4.27 | Fe | C1C A:Hem200 | 3.09 | Fe | C2C A:Hem200 | 4.34 | Fe | ND A:Hem200 | 2.01 | Fe | CHD A:Hem200 | 3.44 | Fe | C1B A:Hem200 | 3.05 | Fe | NB A:Hem200 | 2.00 | Fe | FE A:Hem200 | 0.00 | Fe | C3C A:Hem200 | 4.35 | Fe | C3B A:Hem200 | 4.27 | Fe | C4D A:Hem200 | 3.05 | Fe | C1A A:Hem200 | 3.05 | Fe | O A:Cmo201 | 2.88 | Fe | C A:Cmo201 | 1.66 |
| interactive model:
| Iron binding site 2 out of 4 in 1sdl
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1sdl. 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: B: His63, B: Val67, B: His92, B: Hem200, B: Cmo201, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 B:His63 | 4.43 | Fe | CG2 B:Val67 | 4.77 | Fe | NE2 B:His92 | 2.13 | Fe | ND1 B:His92 | 4.17 | Fe | CD2 B:His92 | 3.25 | Fe | CE1 B:His92 | 2.97 | Fe | CG B:His92 | 4.31 | Fe | C2D B:Hem200 | 4.26 | Fe | NC B:Hem200 | 1.95 | Fe | CHB B:Hem200 | 3.51 | Fe | CHC B:Hem200 | 3.37 | Fe | C3D B:Hem200 | 4.25 | Fe | NA B:Hem200 | 2.04 | Fe | CHA B:Hem200 | 3.45 | Fe | C2A B:Hem200 | 4.27 | Fe | C1D B:Hem200 | 3.03 | Fe | C4A B:Hem200 | 3.11 | Fe | C4B B:Hem200 | 3.07 | Fe | C3A B:Hem200 | 4.32 | Fe | C4C B:Hem200 | 2.98 | Fe | C2B B:Hem200 | 4.34 | Fe | C1C B:Hem200 | 2.97 | Fe | C2C B:Hem200 | 4.21 | Fe | ND B:Hem200 | 2.00 | Fe | CHD B:Hem200 | 3.38 | Fe | C1B B:Hem200 | 3.13 | Fe | NB B:Hem200 | 2.07 | Fe | FE B:Hem200 | 0.00 | Fe | C3C B:Hem200 | 4.18 | Fe | C3B B:Hem200 | 4.32 | Fe | C4D B:Hem200 | 3.06 | Fe | C1A B:Hem200 | 3.06 | Fe | O B:Cmo201 | 2.93 | Fe | C B:Cmo201 | 1.80 |
| interactive model:
| Iron binding site 3 out of 4 in 1sdl
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1sdl. 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: His58, C: His87, C: Hem200, C: Cmo201, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 C:His58 | 4.33 | Fe | NE2 C:His87 | 2.02 | Fe | ND1 C:His87 | 4.16 | Fe | CD2 C:His87 | 3.03 | Fe | CE1 C:His87 | 3.01 | Fe | CG C:His87 | 4.17 | Fe | C2D C:Hem200 | 4.30 | Fe | NC C:Hem200 | 2.06 | Fe | CHB C:Hem200 | 3.44 | Fe | CHC C:Hem200 | 3.42 | Fe | C3D C:Hem200 | 4.27 | Fe | NA C:Hem200 | 2.00 | Fe | CHA C:Hem200 | 3.42 | Fe | C2A C:Hem200 | 4.24 | Fe | C1D C:Hem200 | 3.11 | Fe | C4A C:Hem200 | 3.04 | Fe | C4B C:Hem200 | 3.04 | Fe | C3A C:Hem200 | 4.25 | Fe | C4C C:Hem200 | 3.10 | Fe | C2B C:Hem200 | 4.26 | Fe | C1C C:Hem200 | 3.09 | Fe | C2C C:Hem200 | 4.33 | Fe | ND C:Hem200 | 2.04 | Fe | CHD C:Hem200 | 3.50 | Fe | C1B C:Hem200 | 3.07 | Fe | NB C:Hem200 | 2.02 | Fe | FE C:Hem200 | 0.00 | Fe | C3C C:Hem200 | 4.33 | Fe | C3B C:Hem200 | 4.23 | Fe | C4D C:Hem200 | 3.05 | Fe | C1A C:Hem200 | 3.03 | Fe | O C:Cmo201 | 3.02 | Fe | C C:Cmo201 | 1.88 |
| interactive model:
| Iron binding site 4 out of 4 in 1sdl
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1sdl. 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: D: His63, D: Val67, D: His92, D: Hem200, D: Cmo201, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 D:His63 | 4.44 | Fe | CG2 D:Val67 | 4.74 | Fe | NE2 D:His92 | 2.06 | Fe | ND1 D:His92 | 4.11 | Fe | CD2 D:His92 | 3.19 | Fe | CE1 D:His92 | 2.90 | Fe | CG D:His92 | 4.26 | Fe | C2D D:Hem200 | 4.27 | Fe | NC D:Hem200 | 1.98 | Fe | CHB D:Hem200 | 3.52 | Fe | CHC D:Hem200 | 3.35 | Fe | C3D D:Hem200 | 4.26 | Fe | NA D:Hem200 | 2.05 | Fe | CHA D:Hem200 | 3.40 | Fe | C2A D:Hem200 | 4.28 | Fe | C1D D:Hem200 | 3.04 | Fe | C4A D:Hem200 | 3.12 | Fe | C4B D:Hem200 | 3.07 | Fe | C3A D:Hem200 | 4.32 | Fe | C4C D:Hem200 | 3.02 | Fe | C2B D:Hem200 | 4.33 | Fe | C1C D:Hem200 | 2.98 | Fe | C2C D:Hem200 | 4.21 | Fe | ND D:Hem200 | 2.00 | Fe | CHD D:Hem200 | 3.41 | Fe | C1B D:Hem200 | 3.12 | Fe | NB D:Hem200 | 2.05 | Fe | FE D:Hem200 | 0.00 | Fe | C3C D:Hem200 | 4.22 | Fe | C3B D:Hem200 | 4.34 | Fe | C4D D:Hem200 | 3.03 | Fe | C1A D:Hem200 | 3.06 | Fe | O D:Cmo201 | 2.81 | Fe | C D:Cmo201 | 1.72 |
| interactive model:
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