The binding sites of Iron atom in the structure of The Low Salt (Peg) Crystal Structure of Co Hemoglobin E (BETAE26K) Approaching Physiological pH (pH 7.5) (pdb code 1yvq). This binding sites where shown with 5.0 Angstroms radius around Iron atom. The 1yvq structure was solved by V.N.MALASHKEVICH, T.C.BALAZS, S.C.ALMO, R.E.HIRSCH, with X-Ray Crystallography technique, brief refinement statistics is given in the table below:
Resolution (A) | 23.4-1.8 | Space group | P212121 | a (A) | 60.621 | b (A) | 96.018 | c (A) | 101.368 | alpha (°) | 90.00 | beta (°) | 90.00 | gamma (°) | 90.00 | Rfactor (%) | 18.7 | Rfree (%) | 23 |
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Iron binding site 1 out of 4 in 1yvq
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 1 of Iron in the PDB 1yvq. 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: Hem701, A: Cmo801, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 A:His58 | 4.28 | Fe | CG2 A:Val62 | 4.91 | Fe | NE2 A:His87 | 2.12 | Fe | ND1 A:His87 | 4.21 | Fe | CD2 A:His87 | 3.12 | Fe | CE1 A:His87 | 3.09 | Fe | CG A:His87 | 4.26 | Fe | C2D A:Hem701 | 4.27 | Fe | NC A:Hem701 | 2.04 | Fe | CHB A:Hem701 | 3.46 | Fe | CHC A:Hem701 | 3.40 | Fe | C3D A:Hem701 | 4.28 | Fe | NA A:Hem701 | 2.06 | Fe | CHA A:Hem701 | 3.42 | Fe | C2A A:Hem701 | 4.33 | Fe | C1D A:Hem701 | 3.04 | Fe | C4A A:Hem701 | 3.10 | Fe | C4B A:Hem701 | 3.06 | Fe | C3A A:Hem701 | 4.34 | Fe | C4C A:Hem701 | 3.05 | Fe | C2B A:Hem701 | 4.34 | Fe | C1C A:Hem701 | 3.06 | Fe | C2C A:Hem701 | 4.30 | Fe | ND A:Hem701 | 2.04 | Fe | CHD A:Hem701 | 3.39 | Fe | C1B A:Hem701 | 3.09 | Fe | NB A:Hem701 | 2.06 | Fe | FE A:Hem701 | 0.00 | Fe | C3C A:Hem701 | 4.29 | Fe | C3B A:Hem701 | 4.31 | Fe | C4D A:Hem701 | 3.06 | Fe | C1A A:Hem701 | 3.08 | Fe | O A:Cmo801 | 2.85 | Fe | C A:Cmo801 | 1.80 |
| interactive model:
| Iron binding site 2 out of 4 in 1yvq
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 2 of Iron in the PDB 1yvq. 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: Hem702, B: Cmo802, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 B:His63 | 4.42 | Fe | CG2 B:Val67 | 4.77 | Fe | NE2 B:His92 | 2.18 | Fe | ND1 B:His92 | 4.29 | Fe | CD2 B:His92 | 3.11 | Fe | CE1 B:His92 | 3.19 | Fe | CG B:His92 | 4.29 | Fe | C2D B:Hem702 | 4.31 | Fe | NC B:Hem702 | 2.07 | Fe | CHB B:Hem702 | 3.42 | Fe | CHC B:Hem702 | 3.40 | Fe | C3D B:Hem702 | 4.31 | Fe | NA B:Hem702 | 2.05 | Fe | CHA B:Hem702 | 3.43 | Fe | C2A B:Hem702 | 4.31 | Fe | C1D B:Hem702 | 3.10 | Fe | C4A B:Hem702 | 3.06 | Fe | C4B B:Hem702 | 3.07 | Fe | C3A B:Hem702 | 4.31 | Fe | C4C B:Hem702 | 3.10 | Fe | C2B B:Hem702 | 4.33 | Fe | C1C B:Hem702 | 3.08 | Fe | C2C B:Hem702 | 4.33 | Fe | ND B:Hem702 | 2.06 | Fe | CHD B:Hem702 | 3.46 | Fe | C1B B:Hem702 | 3.09 | Fe | NB B:Hem702 | 2.07 | Fe | FE B:Hem702 | 0.00 | Fe | C3C B:Hem702 | 4.35 | Fe | C3B B:Hem702 | 4.33 | Fe | C4D B:Hem702 | 3.09 | Fe | C1A B:Hem702 | 3.07 | Fe | O B:Cmo802 | 2.93 | Fe | C B:Cmo802 | 1.81 |
| interactive model:
| Iron binding site 3 out of 4 in 1yvq
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 3 of Iron in the PDB 1yvq. 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: Val62, C: His87, C: Hem703, C: Cmo803, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 C:His58 | 4.37 | Fe | CG2 C:Val62 | 4.92 | Fe | NE2 C:His87 | 2.17 | Fe | ND1 C:His87 | 4.27 | Fe | CD2 C:His87 | 3.14 | Fe | CE1 C:His87 | 3.16 | Fe | CG C:His87 | 4.29 | Fe | C2D C:Hem703 | 4.29 | Fe | NC C:Hem703 | 2.07 | Fe | CHB C:Hem703 | 3.47 | Fe | CHC C:Hem703 | 3.42 | Fe | C3D C:Hem703 | 4.27 | Fe | NA C:Hem703 | 2.04 | Fe | CHA C:Hem703 | 3.38 | Fe | C2A C:Hem703 | 4.30 | Fe | C1D C:Hem703 | 3.07 | Fe | C4A C:Hem703 | 3.08 | Fe | C4B C:Hem703 | 3.08 | Fe | C3A C:Hem703 | 4.32 | Fe | C4C C:Hem703 | 3.09 | Fe | C2B C:Hem703 | 4.34 | Fe | C1C C:Hem703 | 3.06 | Fe | C2C C:Hem703 | 4.30 | Fe | ND C:Hem703 | 2.03 | Fe | CHD C:Hem703 | 3.45 | Fe | C1B C:Hem703 | 3.11 | Fe | NB C:Hem703 | 2.07 | Fe | FE C:Hem703 | 0.00 | Fe | C3C C:Hem703 | 4.30 | Fe | C3B C:Hem703 | 4.31 | Fe | C4D C:Hem703 | 3.04 | Fe | C1A C:Hem703 | 3.04 | Fe | O C:Cmo803 | 2.93 | Fe | C C:Cmo803 | 1.83 |
| interactive model:
| Iron binding site 4 out of 4 in 1yvq
|  Click to enlarge |  Click to enlarge | Mono- and Stereo- picture of 5.0 Angstrom coordination sphere 4 of Iron in the PDB 1yvq. 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: Hem704, D: Cmo804, | conact list:
Atom | Atom | Distance (A) | Fe | NE2 D:His63 | 4.33 | Fe | CG2 D:Val67 | 4.85 | Fe | NE2 D:His92 | 2.19 | Fe | ND1 D:His92 | 4.32 | Fe | CD2 D:His92 | 3.07 | Fe | CE1 D:His92 | 3.25 | Fe | CG D:His92 | 4.27 | Fe | C2D D:Hem704 | 4.27 | Fe | NC D:Hem704 | 2.09 | Fe | CHB D:Hem704 | 3.44 | Fe | CHC D:Hem704 | 3.45 | Fe | C3D D:Hem704 | 4.27 | Fe | NA D:Hem704 | 2.05 | Fe | CHA D:Hem704 | 3.39 | Fe | C2A D:Hem704 | 4.30 | Fe | C1D D:Hem704 | 3.04 | Fe | C4A D:Hem704 | 3.07 | Fe | C4B D:Hem704 | 3.10 | Fe | C3A D:Hem704 | 4.31 | Fe | C4C D:Hem704 | 3.08 | Fe | C2B D:Hem704 | 4.34 | Fe | C1C D:Hem704 | 3.10 | Fe | C2C D:Hem704 | 4.36 | Fe | ND D:Hem704 | 2.02 | Fe | CHD D:Hem704 | 3.41 | Fe | C1B D:Hem704 | 3.09 | Fe | NB D:Hem704 | 2.08 | Fe | FE D:Hem704 | 0.00 | Fe | C3C D:Hem704 | 4.35 | Fe | C3B D:Hem704 | 4.34 | Fe | C4D D:Hem704 | 3.04 | Fe | C1A D:Hem704 | 3.06 | Fe | O D:Cmo804 | 2.81 | Fe | C D:Cmo804 | 1.81 |
| interactive model:
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