Iron in PDB 3nl7: Human Hemoglobin A Mutant Beta H63W Carbonmonoxy-Form

The structure of Human Hemoglobin A Mutant Beta H63W Carbonmonoxy-Form, PDB code: 3nl7 was solved by I.Birukou, J.Soman, J.S.Olson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.12 / 1.80
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	53.210, 53.210, 191.780, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 23.3

The binding sites of Iron atom in the Human Hemoglobin A Mutant Beta H63W Carbonmonoxy-Form (pdb code 3nl7). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Human Hemoglobin A Mutant Beta H63W Carbonmonoxy-Form, PDB code: 3nl7:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Human Hemoglobin A Mutant Beta H63W Carbonmonoxy-Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Human Hemoglobin A Mutant Beta H63W Carbonmonoxy-Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:18.5 occ:1.00 FE A:HEM142 0.0 18.5 1.0 HE2 A:HIS87 1.3 19.7 1.0 C A:CMO143 1.7 13.9 1.0 NC A:HEM142 2.0 13.1 1.0 NB A:HEM142 2.0 16.7 1.0 NA A:HEM142 2.1 14.4 1.0 ND A:HEM142 2.1 19.6 1.0 NE2 A:HIS87 2.1 16.5 1.0 O A:CMO143 2.9 21.2 1.0 C4C A:HEM142 3.0 19.0 1.0 C1B A:HEM142 3.0 15.5 1.0 C4A A:HEM142 3.0 14.6 1.0 C1D A:HEM142 3.1 18.6 1.0 C1C A:HEM142 3.1 22.2 1.0 C4B A:HEM142 3.1 15.8 1.0 CE1 A:HIS87 3.1 21.4 1.0 C1A A:HEM142 3.1 18.7 1.0 CD2 A:HIS87 3.1 17.7 1.0 C4D A:HEM142 3.1 21.6 1.0 HE1 A:HIS87 3.3 25.7 1.0 HD2 A:HIS87 3.3 21.2 1.0 CHB A:HEM142 3.4 16.6 1.0 CHD A:HEM142 3.4 15.3 1.0 CHC A:HEM142 3.5 16.9 1.0 CHA A:HEM142 3.5 15.3 1.0 HE2 A:HIS58 3.7 29.4 1.0 ND1 A:HIS87 4.2 19.1 1.0 C3C A:HEM142 4.2 13.2 1.0 HG22 A:VAL62 4.3 27.5 1.0 CG A:HIS87 4.3 17.9 1.0 C2B A:HEM142 4.3 17.5 1.0 C2C A:HEM142 4.3 16.7 1.0 C3A A:HEM142 4.3 21.3 1.0 C3B A:HEM142 4.3 15.0 1.0 C2D A:HEM142 4.3 24.4 1.0 C2A A:HEM142 4.3 20.0 1.0 C3D A:HEM142 4.3 20.0 1.0 HHB A:HEM142 4.4 19.8 1.0 HHD A:HEM142 4.4 18.4 1.0 HHC A:HEM142 4.5 20.2 1.0 NE2 A:HIS58 4.5 24.6 1.0 HHA A:HEM142 4.5 18.3 1.0 HZ A:PHE43 4.6 27.6 1.0 HD13 A:LEU91 4.8 28.3 1.0

Iron binding site 2 out of 2 in the Human Hemoglobin A Mutant Beta H63W Carbonmonoxy-Form


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Human Hemoglobin A Mutant Beta H63W Carbonmonoxy-Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:22.1 occ:1.00 FE B:HEM147 0.0 22.1 1.0 HE2 B:HIS92 1.2 27.8 1.0 C B:CMO148 1.6 26.6 1.0 ND B:HEM147 2.0 17.9 1.0 NB B:HEM147 2.0 18.9 1.0 NA B:HEM147 2.1 19.3 1.0 NE2 B:HIS92 2.1 23.2 1.0 NC B:HEM147 2.1 18.9 1.0 O B:CMO148 2.8 21.0 1.0 CE1 B:HIS92 3.0 27.0 1.0 C1D B:HEM147 3.1 22.7 1.0 C1A B:HEM147 3.1 20.1 1.0 C4B B:HEM147 3.1 17.1 1.0 C1B B:HEM147 3.1 23.4 1.0 C4D B:HEM147 3.1 18.4 1.0 C4A B:HEM147 3.1 21.9 1.0 CD2 B:HIS92 3.1 22.9 1.0 C4C B:HEM147 3.1 22.2 1.0 C1C B:HEM147 3.1 19.7 1.0 HE1 B:HIS92 3.1 32.4 1.0 HD2 B:HIS92 3.3 27.4 1.0 CHD B:HEM147 3.4 20.6 1.0 CHA B:HEM147 3.5 21.6 1.0 CHB B:HEM147 3.5 19.9 1.0 CHC B:HEM147 3.5 19.2 1.0 HG22 B:VAL67 4.0 20.1 1.0 ND1 B:HIS92 4.1 23.6 1.0 CG B:HIS92 4.2 22.2 1.0 C2B B:HEM147 4.3 19.6 1.0 C2A B:HEM147 4.3 21.3 1.0 C3B B:HEM147 4.3 20.6 1.0 C3A B:HEM147 4.3 20.4 1.0 C2D B:HEM147 4.3 19.4 1.0 C3D B:HEM147 4.3 19.2 1.0 C3C B:HEM147 4.3 19.2 1.0 C2C B:HEM147 4.3 17.1 1.0 HHD B:HEM147 4.4 24.6 1.0 HHA B:HEM147 4.4 25.8 1.0 HHB B:HEM147 4.4 23.8 1.0 HHC B:HEM147 4.4 23.0 1.0 HZ B:PHE42 4.6 34.6 1.0 CG2 B:VAL67 4.7 16.8 1.0 HG21 B:VAL67 4.8 20.1 1.0 HD1 B:HIS92 4.9 28.2 1.0 HG23 B:VAL67 4.9 20.1 1.0 HD21 B:LEU141 5.0 29.1 1.0 HD1 B:TRP63 5.0 27.1 1.0

I.Birukou, J.Soman, J.S.Olson. Blocking the Gate to Ligand Entry in Human Hemoglobin. J.Biol.Chem. V. 286 10515 2011.
ISSN: ISSN 0021-9258
PubMed: 21193395
DOI: 10.1074/JBC.M110.176271