Iron in PDB 4mqk: Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M

The structure of Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M, PDB code: 4mqk was solved by J.Soman, J.S.Olson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	45.07 / 2.24
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	106.040, 52.229, 106.381, 90.00, 114.27, 90.00
R / Rfree (%)	17.5 / 23.2

The binding sites of Iron atom in the Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M (pdb code 4mqk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 8 binding sites of Iron where determined in the Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M, PDB code: 4mqk:
Jump to Iron binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Iron binding site 1 out of 8 in the Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:22.5 occ:1.00 FE A:HEM201 0.0 22.5 1.0 NA A:HEM201 2.0 26.6 1.0 C A:CMO202 2.1 28.2 1.0 NC A:HEM201 2.1 25.5 1.0 NE2 A:HIS87 2.1 18.5 1.0 NB A:HEM201 2.1 20.4 1.0 ND A:HEM201 2.1 29.7 1.0 C1A A:HEM201 3.0 26.9 1.0 C4A A:HEM201 3.0 27.2 1.0 CE1 A:HIS87 3.0 27.0 1.0 C4D A:HEM201 3.1 24.2 1.0 C1B A:HEM201 3.1 26.5 1.0 C1C A:HEM201 3.1 23.6 1.0 C4C A:HEM201 3.1 25.2 1.0 CD2 A:HIS87 3.1 18.8 1.0 C4B A:HEM201 3.2 22.3 1.0 C1D A:HEM201 3.2 27.1 1.0 O A:CMO202 3.3 43.0 1.0 CHA A:HEM201 3.4 29.2 1.0 CHB A:HEM201 3.4 28.8 1.0 CHC A:HEM201 3.5 25.9 1.0 CHD A:HEM201 3.6 26.1 1.0 ND1 A:HIS87 4.2 29.8 1.0 C2A A:HEM201 4.2 29.5 1.0 C3A A:HEM201 4.2 24.1 1.0 CG A:HIS87 4.3 27.5 1.0 C2C A:HEM201 4.3 23.8 1.0 C3C A:HEM201 4.3 16.2 1.0 C3D A:HEM201 4.3 23.8 1.0 C2B A:HEM201 4.3 23.9 1.0 C3B A:HEM201 4.4 24.2 1.0 C2D A:HEM201 4.4 26.8 1.0 NE2 A:HIS58 4.5 29.9 1.0

Iron binding site 2 out of 8 in the Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:27.1 occ:1.00 FE B:HEM201 0.0 27.1 1.0 NB B:HEM201 2.0 28.5 1.0 NA B:HEM201 2.0 24.0 1.0 NE2 B:HIS92 2.0 28.1 1.0 NC B:HEM201 2.0 23.7 1.0 C B:CMO202 2.1 38.5 1.0 ND B:HEM201 2.1 31.3 1.0 CE1 B:HIS92 3.0 28.1 1.0 C4B B:HEM201 3.0 27.0 1.0 C4A B:HEM201 3.0 24.2 1.0 C1C B:HEM201 3.0 25.6 1.0 C1B B:HEM201 3.1 21.6 1.0 C1A B:HEM201 3.1 25.7 1.0 CD2 B:HIS92 3.1 24.9 1.0 C4C B:HEM201 3.1 24.3 1.0 C1D B:HEM201 3.1 36.2 1.0 C4D B:HEM201 3.1 30.0 1.0 O B:CMO202 3.3 41.9 1.0 CHC B:HEM201 3.4 21.9 1.0 CHB B:HEM201 3.4 22.3 1.0 CHA B:HEM201 3.5 26.8 1.0 CHD B:HEM201 3.5 30.8 1.0 ND1 B:HIS92 4.1 28.2 1.0 CG B:HIS92 4.2 29.2 1.0 C3A B:HEM201 4.2 25.1 1.0 C2C B:HEM201 4.2 20.6 1.0 C3B B:HEM201 4.3 31.6 1.0 C2A B:HEM201 4.3 26.3 1.0 C3C B:HEM201 4.3 25.3 1.0 C2B B:HEM201 4.3 30.7 1.0 C2D B:HEM201 4.4 38.0 1.0 C3D B:HEM201 4.4 28.9 1.0 NE2 B:HIS63 4.7 56.6 1.0

Iron binding site 3 out of 8 in the Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe201 b:17.6 occ:1.00 FE C:HEM201 0.0 17.6 1.0 NA C:HEM201 2.0 23.3 1.0 NC C:HEM201 2.0 17.2 1.0 C C:CMO202 2.1 19.3 1.0 NB C:HEM201 2.1 20.2 1.0 ND C:HEM201 2.1 18.3 1.0 NE2 C:HIS87 2.2 21.6 1.0 C4A C:HEM201 3.0 23.4 1.0 C1B C:HEM201 3.0 14.6 1.0 C1A C:HEM201 3.0 24.7 1.0 C4C C:HEM201 3.1 14.5 1.0 C4D C:HEM201 3.1 16.8 1.0 C1C C:HEM201 3.1 15.5 1.0 C1D C:HEM201 3.1 14.6 1.0 CD2 C:HIS87 3.1 15.3 1.0 C4B C:HEM201 3.2 17.9 1.0 CE1 C:HIS87 3.2 25.0 1.0 O C:CMO202 3.3 28.9 1.0 CHB C:HEM201 3.4 18.3 1.0 CHA C:HEM201 3.4 20.9 1.0 CHD C:HEM201 3.5 16.5 1.0 CHC C:HEM201 3.6 17.1 1.0 C3A C:HEM201 4.2 23.3 1.0 C2A C:HEM201 4.2 18.1 1.0 C2B C:HEM201 4.3 19.6 1.0 C3C C:HEM201 4.3 13.4 1.0 ND1 C:HIS87 4.3 21.2 1.0 CG C:HIS87 4.3 16.5 1.0 C2C C:HEM201 4.3 16.5 1.0 C3B C:HEM201 4.3 18.1 1.0 C3D C:HEM201 4.3 22.3 1.0 C2D C:HEM201 4.3 28.2 1.0 NE2 C:HIS58 4.4 35.4 1.0

Iron binding site 4 out of 8 in the Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe201 b:30.8 occ:1.00 FE D:HEM201 0.0 30.8 1.0 NA D:HEM201 2.0 30.6 1.0 NB D:HEM201 2.0 24.2 1.0 ND D:HEM201 2.1 31.4 1.0 NC D:HEM201 2.1 26.5 1.0 C D:CMO202 2.2 31.8 1.0 NE2 D:HIS92 2.3 31.8 1.0 C1A D:HEM201 3.0 33.6 1.0 C1D D:HEM201 3.0 34.7 1.0 C4C D:HEM201 3.1 30.6 1.0 C4A D:HEM201 3.1 32.3 1.0 C1B D:HEM201 3.1 25.9 1.0 C4D D:HEM201 3.1 39.2 1.0 C4B D:HEM201 3.1 27.2 1.0 C1C D:HEM201 3.1 24.1 1.0 CD2 D:HIS92 3.2 32.4 1.0 CE1 D:HIS92 3.2 30.4 1.0 O D:CMO202 3.4 42.4 1.0 CHA D:HEM201 3.4 38.0 1.0 CHD D:HEM201 3.4 30.7 1.0 CHB D:HEM201 3.5 26.4 1.0 CHC D:HEM201 3.5 24.4 1.0 C2A D:HEM201 4.3 35.4 1.0 C2D D:HEM201 4.3 41.1 1.0 C3A D:HEM201 4.3 33.3 1.0 C3C D:HEM201 4.3 30.7 1.0 C2B D:HEM201 4.3 23.5 1.0 C3B D:HEM201 4.3 22.9 1.0 C3D D:HEM201 4.3 42.0 1.0 C2C D:HEM201 4.3 24.8 1.0 NE2 D:HIS63 4.3 58.4 1.0 ND1 D:HIS92 4.3 30.3 1.0 CG D:HIS92 4.4 37.3 1.0

Iron binding site 5 out of 8 in the Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 5 of Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe201 b:37.9 occ:1.00 FE E:HEM201 0.0 37.9 1.0 NA E:HEM201 2.0 45.8 1.0 NB E:HEM201 2.0 34.0 1.0 NC E:HEM201 2.1 35.7 1.0 ND E:HEM201 2.1 43.6 1.0 NE2 E:HIS87 2.2 38.6 1.0 C4A E:HEM201 3.0 48.0 1.0 C1A E:HEM201 3.0 47.8 1.0 C4C E:HEM201 3.1 37.9 1.0 C1B E:HEM201 3.1 38.0 1.0 C1D E:HEM201 3.1 48.3 1.0 CE1 E:HIS87 3.1 40.3 1.0 C4B E:HEM201 3.1 31.3 1.0 C4D E:HEM201 3.1 54.6 1.0 C1C E:HEM201 3.1 36.3 1.0 CD2 E:HIS87 3.4 40.5 1.0 CHD E:HEM201 3.4 37.2 1.0 CHB E:HEM201 3.4 45.2 1.0 CHA E:HEM201 3.4 49.0 1.0 CHC E:HEM201 3.5 39.3 1.0 CE1 E:HIS58 4.1 53.7 1.0 C3A E:HEM201 4.2 47.6 1.0 C2A E:HEM201 4.2 52.9 1.0 ND1 E:HIS87 4.3 49.6 1.0 C3C E:HEM201 4.3 33.3 1.0 C2B E:HEM201 4.3 35.9 1.0 C2C E:HEM201 4.3 38.4 1.0 C3B E:HEM201 4.3 34.9 1.0 C2D E:HEM201 4.3 52.6 1.0 C3D E:HEM201 4.3 59.3 1.0 CG E:HIS87 4.4 44.1 1.0 NE2 E:HIS58 4.7 52.0 1.0 CG2 E:VAL62 5.0 50.1 1.0

Iron binding site 6 out of 8 in the Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 6 of Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M within 5.0Å range: probe atom residue distance (Å) B Occ F:Fe201 b:33.7 occ:1.00 FE F:HEM201 0.0 33.7 1.0 ND F:HEM201 2.0 38.0 1.0 NA F:HEM201 2.0 39.7 1.0 NB F:HEM201 2.1 37.1 1.0 NE2 F:HIS92 2.1 30.6 1.0 C F:CMO202 2.1 36.7 1.0 NC F:HEM201 2.1 35.9 1.0 CE1 F:HIS92 3.0 32.4 1.0 C4D F:HEM201 3.0 41.7 1.0 C1A F:HEM201 3.1 43.2 1.0 C1D F:HEM201 3.1 40.6 1.0 C1B F:HEM201 3.1 35.2 1.0 C4A F:HEM201 3.1 43.8 1.0 C4C F:HEM201 3.1 35.5 1.0 C4B F:HEM201 3.1 36.1 1.0 CD2 F:HIS92 3.1 30.6 1.0 C1C F:HEM201 3.1 24.4 1.0 O F:CMO202 3.3 39.5 1.0 CHA F:HEM201 3.4 43.3 1.0 CHD F:HEM201 3.4 38.9 1.0 CHB F:HEM201 3.5 42.6 1.0 CHC F:HEM201 3.5 36.5 1.0 ND1 F:HIS92 4.2 35.1 1.0 CG F:HIS92 4.2 37.2 1.0 C3D F:HEM201 4.2 46.4 1.0 C2D F:HEM201 4.3 39.7 1.0 C2A F:HEM201 4.3 47.3 1.0 C3A F:HEM201 4.3 47.3 1.0 C3C F:HEM201 4.3 30.1 1.0 C2B F:HEM201 4.3 39.6 1.0 C2C F:HEM201 4.3 29.2 1.0 C3B F:HEM201 4.3 38.3 1.0 NE2 F:HIS63 4.5 44.3 1.0

Iron binding site 7 out of 8 in the Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 7 of Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe201 b:34.6 occ:1.00 FE G:HEM201 0.0 34.6 1.0 NB G:HEM201 2.0 36.7 1.0 NE2 G:HIS87 2.1 32.4 1.0 NC G:HEM201 2.1 29.9 1.0 NA G:HEM201 2.1 33.4 1.0 ND G:HEM201 2.1 36.3 1.0 CE1 G:HIS87 3.0 41.3 1.0 C1B G:HEM201 3.0 31.3 1.0 C4C G:HEM201 3.0 32.5 1.0 C4A G:HEM201 3.1 33.6 1.0 C1D G:HEM201 3.1 45.3 1.0 C4B G:HEM201 3.1 29.0 1.0 C1A G:HEM201 3.1 38.5 1.0 CD2 G:HIS87 3.1 33.7 1.0 C1C G:HEM201 3.1 32.7 1.0 C4D G:HEM201 3.1 41.1 1.0 CHB G:HEM201 3.4 28.8 1.0 CHD G:HEM201 3.4 30.2 1.0 CHC G:HEM201 3.5 25.7 1.0 CHA G:HEM201 3.5 36.0 1.0 ND1 G:HIS87 4.1 36.1 1.0 CG G:HIS87 4.2 36.1 1.0 C2B G:HEM201 4.3 35.2 1.0 C3B G:HEM201 4.3 33.9 1.0 C3C G:HEM201 4.3 34.0 1.0 C3A G:HEM201 4.3 38.0 1.0 C2A G:HEM201 4.3 37.9 1.0 C2D G:HEM201 4.3 38.6 1.0 C2C G:HEM201 4.3 35.1 1.0 C3D G:HEM201 4.3 40.6 1.0 NE2 G:HIS58 4.4 37.2 1.0 CG2 G:VAL62 4.9 28.6 1.0

Iron binding site 8 out of 8 in the Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 8 of Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M within 5.0Å range: probe atom residue distance (Å) B Occ H:Fe201 b:27.3 occ:1.00 FE H:HEM201 0.0 27.3 1.0 C H:CMO202 2.0 34.5 1.0 NA H:HEM201 2.0 29.2 1.0 NB H:HEM201 2.0 33.1 1.0 ND H:HEM201 2.1 33.0 1.0 NC H:HEM201 2.1 28.6 1.0 NE2 H:HIS92 2.2 27.2 1.0 C1B H:HEM201 3.0 29.5 1.0 C4A H:HEM201 3.0 28.0 1.0 CD2 H:HIS92 3.1 26.9 1.0 C1A H:HEM201 3.1 38.1 1.0 C4D H:HEM201 3.1 38.9 1.0 C4B H:HEM201 3.1 35.3 1.0 C1D H:HEM201 3.1 35.0 1.0 C1C H:HEM201 3.1 31.9 1.0 C4C H:HEM201 3.1 27.2 1.0 CE1 H:HIS92 3.2 28.9 1.0 O H:CMO202 3.2 42.6 1.0 CHB H:HEM201 3.4 27.7 1.0 CHA H:HEM201 3.4 43.7 1.0 CHC H:HEM201 3.5 31.2 1.0 CHD H:HEM201 3.5 33.5 1.0 CG H:HIS92 4.2 29.0 1.0 C2B H:HEM201 4.3 35.3 1.0 C3A H:HEM201 4.3 30.3 1.0 ND1 H:HIS92 4.3 29.7 1.0 C3B H:HEM201 4.3 36.9 1.0 C2A H:HEM201 4.3 38.5 1.0 C3D H:HEM201 4.3 38.0 1.0 C2D H:HEM201 4.3 38.9 1.0 C3C H:HEM201 4.3 22.2 1.0 C2C H:HEM201 4.3 33.1 1.0 NE2 H:HIS63 4.5 49.5 1.0

J.Soman, J.S.Olson. Carbonmonoxy Structure of the Human Fetal Hemoglobin Mutant Hbf Toms River ALPHAWTGAMMAV67M To Be Published.