Iron in PDB 2dxm: Neutron Structure Analysis of Deoxy Human Hemoglobin

The binding sites of Iron atom in the Neutron Structure Analysis of Deoxy Human Hemoglobin (pdb code 2dxm). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Neutron Structure Analysis of Deoxy Human Hemoglobin, PDB code: 2dxm:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Neutron Structure Analysis of Deoxy Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Neutron Structure Analysis of Deoxy Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:5.5 occ:1.00 FE A:HEM142 0.0 5.5 1.0 NC A:HEM142 2.0 5.2 1.0 NB A:HEM142 2.0 4.9 1.0 ND A:HEM142 2.0 4.9 1.0 NA A:HEM142 2.0 4.9 1.0 NE2 A:HIS87 2.2 4.9 1.0 C4C A:HEM142 3.0 4.9 1.0 C1B A:HEM142 3.0 5.0 1.0 C1D A:HEM142 3.0 5.6 1.0 C4A A:HEM142 3.0 4.9 1.0 C1C A:HEM142 3.0 4.9 1.0 CE1 A:HIS87 3.0 5.9 1.0 C4B A:HEM142 3.1 5.5 1.0 C1A A:HEM142 3.1 5.9 1.0 C4D A:HEM142 3.1 5.0 1.0 HE1 A:HIS87 3.1 5.6 1.0 CHD A:HEM142 3.4 5.1 1.0 CHB A:HEM142 3.4 5.0 1.0 CD2 A:HIS87 3.4 5.2 1.0 CHC A:HEM142 3.4 4.9 1.0 CHA A:HEM142 3.5 4.9 1.0 HE1 A:HIS58 3.6 10.1 1.0 HD2 A:HIS87 3.7 4.9 1.0 O A:DOD180 3.9 38.6 1.0 HD11 A:LEU91 3.9 4.9 1.0 DE2 A:HIS58 4.0 11.3 1.0 ND1 A:HIS87 4.2 4.9 1.0 C2B A:HEM142 4.3 4.9 1.0 C2C A:HEM142 4.3 5.0 1.0 C3C A:HEM142 4.3 5.2 1.0 C3B A:HEM142 4.3 4.9 1.0 HG21 A:VAL62 4.3 5.7 1.0 C2D A:HEM142 4.3 5.4 1.0 C3A A:HEM142 4.3 6.1 1.0 C3D A:HEM142 4.3 5.7 1.0 C2A A:HEM142 4.3 5.5 1.0 CE1 A:HIS58 4.4 9.3 1.0 HHD A:HEM142 4.4 4.9 1.0 CG A:HIS87 4.4 4.9 1.0 HHB A:HEM142 4.4 4.9 1.0 NE2 A:HIS58 4.5 10.1 1.0 HHC A:HEM142 4.5 4.9 1.0 HHA A:HEM142 4.6 6.3 1.0 CD1 A:LEU91 4.7 5.0 1.0 HD13 A:LEU91 4.7 5.2 1.0 HG23 A:VAL93 4.8 6.4 1.0 HD12 A:LEU91 4.9 5.2 1.0

Iron binding site 2 out of 4 in the Neutron Structure Analysis of Deoxy Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Neutron Structure Analysis of Deoxy Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:4.9 occ:1.00 FE B:HEM147 0.0 4.9 1.0 NB B:HEM147 2.0 4.9 1.0 NA B:HEM147 2.0 4.9 1.0 ND B:HEM147 2.0 4.9 1.0 NC B:HEM147 2.0 4.9 1.0 NE2 B:HIS92 2.2 4.9 1.0 C1B B:HEM147 3.0 4.9 1.0 C4B B:HEM147 3.0 5.1 1.0 C1A B:HEM147 3.0 4.9 1.0 C4A B:HEM147 3.0 5.0 1.0 C4D B:HEM147 3.1 4.9 1.0 C1D B:HEM147 3.1 4.9 1.0 CE1 B:HIS92 3.1 4.9 1.0 C4C B:HEM147 3.1 5.0 1.0 C1C B:HEM147 3.1 5.2 1.0 HE1 B:HIS92 3.2 4.9 1.0 HG23 B:VAL67 3.3 7.0 1.0 CD2 B:HIS92 3.3 5.0 1.0 CHB B:HEM147 3.4 4.9 1.0 DE2 B:HIS63 3.4 8.6 1.0 CHA B:HEM147 3.4 4.9 1.0 CHC B:HEM147 3.4 4.9 1.0 CHD B:HEM147 3.5 4.9 1.0 HD2 B:HIS92 3.6 4.9 1.0 CG2 B:VAL67 4.1 6.1 1.0 NE2 B:HIS63 4.2 8.7 1.0 HE1 B:HIS63 4.2 8.8 1.0 HG21 B:VAL67 4.2 7.5 1.0 ND1 B:HIS92 4.3 4.9 1.0 C3B B:HEM147 4.3 5.8 1.0 C2B B:HEM147 4.3 4.9 1.0 C2A B:HEM147 4.3 5.2 1.0 C3A B:HEM147 4.3 6.2 1.0 C2D B:HEM147 4.3 4.9 1.0 C3D B:HEM147 4.3 4.9 1.0 C3C B:HEM147 4.4 5.3 1.0 C2C B:HEM147 4.4 4.9 1.0 HD11 B:LEU96 4.4 4.9 1.0 HG22 B:VAL67 4.4 6.4 1.0 CG B:HIS92 4.4 4.9 1.0 HE1 B:PHE103 4.5 6.0 1.0 HHB B:HEM147 4.5 5.2 1.0 HHA B:HEM147 4.5 5.3 1.0 HHC B:HEM147 4.5 4.9 1.0 CE1 B:HIS63 4.5 7.9 1.0 HHD B:HEM147 4.5 4.9 1.0 HD13 B:LEU96 4.9 5.2 1.0

Iron binding site 3 out of 4 in the Neutron Structure Analysis of Deoxy Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Neutron Structure Analysis of Deoxy Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:4.9 occ:1.00 FE C:HEM142 0.0 4.9 1.0 NB C:HEM142 2.0 5.7 1.0 NC C:HEM142 2.0 4.9 1.0 NA C:HEM142 2.0 5.6 1.0 ND C:HEM142 2.0 4.9 1.0 NE2 C:HIS87 2.2 4.9 1.0 C1B C:HEM142 3.0 5.7 1.0 C4C C:HEM142 3.0 4.9 1.0 CE1 C:HIS87 3.0 4.9 1.0 C1C C:HEM142 3.1 5.5 1.0 C4B C:HEM142 3.1 4.9 1.0 C4A C:HEM142 3.1 5.1 1.0 C1D C:HEM142 3.1 4.9 1.0 C4D C:HEM142 3.1 4.9 1.0 C1A C:HEM142 3.1 5.7 1.0 HE1 C:HIS87 3.1 5.3 1.0 CD2 C:HIS87 3.4 4.9 1.0 CHB C:HEM142 3.4 4.9 1.0 CHD C:HEM142 3.4 4.9 1.0 CHC C:HEM142 3.4 4.9 1.0 CHA C:HEM142 3.5 4.9 1.0 HD2 C:HIS87 3.7 5.4 1.0 DE2 C:HIS58 3.7 10.9 1.0 O C:DOD194 3.8 38.3 1.0 HE1 C:HIS58 3.8 12.4 1.0 HD11 C:LEU91 4.1 6.2 1.0 ND1 C:HIS87 4.2 4.9 1.0 HG23 C:VAL62 4.3 5.1 1.0 C3C C:HEM142 4.3 4.9 1.0 C2C C:HEM142 4.3 4.9 1.0 C2B C:HEM142 4.3 5.5 1.0 C2D C:HEM142 4.3 4.9 1.0 C3B C:HEM142 4.3 4.9 1.0 C3A C:HEM142 4.3 6.9 1.0 C3D C:HEM142 4.3 5.5 1.0 C2A C:HEM142 4.3 8.0 1.0 NE2 C:HIS58 4.4 10.8 1.0 CG C:HIS87 4.4 4.9 1.0 CE1 C:HIS58 4.4 10.9 1.0 HHB C:HEM142 4.5 4.9 1.0 HHD C:HEM142 4.5 4.9 1.0 HHC C:HEM142 4.5 4.9 1.0 HHA C:HEM142 4.5 4.9 1.0 HD12 C:LEU91 4.6 6.3 1.0 HD13 C:LEU91 4.7 5.6 1.0 CD1 C:LEU91 4.7 5.3 1.0 HG23 C:VAL93 4.8 6.3 1.0 HE1 C:PHE98 5.0 4.9 1.0

Iron binding site 4 out of 4 in the Neutron Structure Analysis of Deoxy Human Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Neutron Structure Analysis of Deoxy Human Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:5.6 occ:1.00 FE D:HEM147 0.0 5.6 1.0 NB D:HEM147 2.0 5.4 1.0 ND D:HEM147 2.0 5.5 1.0 NA D:HEM147 2.0 4.9 1.0 NC D:HEM147 2.0 5.1 1.0 NE2 D:HIS92 2.2 5.4 1.0 C4B D:HEM147 3.0 5.1 1.0 C1D D:HEM147 3.0 7.0 1.0 C1B D:HEM147 3.0 5.0 1.0 C4A D:HEM147 3.0 5.3 1.0 C4C D:HEM147 3.1 4.9 1.0 C1C D:HEM147 3.1 4.9 1.0 C1A D:HEM147 3.1 5.0 1.0 C4D D:HEM147 3.1 6.2 1.0 CE1 D:HIS92 3.1 5.5 1.0 HG22 D:VAL67 3.2 8.5 1.0 HE1 D:HIS92 3.2 6.1 1.0 CD2 D:HIS92 3.3 5.4 1.0 CHB D:HEM147 3.4 4.9 1.0 CHD D:HEM147 3.4 6.1 1.0 CHC D:HEM147 3.4 4.9 1.0 CHA D:HEM147 3.4 5.8 1.0 HD2 D:HIS92 3.6 5.3 1.0 DE2 D:HIS63 3.6 8.8 1.0 HE1 D:HIS63 3.9 6.7 1.0 CG2 D:VAL67 4.1 8.6 1.0 HG23 D:VAL67 4.1 8.8 1.0 C3B D:HEM147 4.2 4.9 1.0 C2B D:HEM147 4.2 4.9 1.0 ND1 D:HIS92 4.3 4.9 1.0 C2D D:HEM147 4.3 7.2 1.0 NE2 D:HIS63 4.3 7.1 1.0 C3A D:HEM147 4.3 4.9 1.0 HD11 D:LEU96 4.3 7.6 1.0 C2A D:HEM147 4.3 6.7 1.0 C2C D:HEM147 4.3 4.9 1.0 C3C D:HEM147 4.3 4.9 1.0 C3D D:HEM147 4.3 6.8 1.0 CG D:HIS92 4.4 4.9 1.0 CE1 D:HIS63 4.4 6.6 1.0 HE1 D:PHE103 4.4 5.2 1.0 HHB D:HEM147 4.5 4.9 1.0 HHD D:HEM147 4.5 5.4 1.0 HG21 D:VAL67 4.5 8.2 1.0 HHC D:HEM147 4.5 4.9 1.0 HHA D:HEM147 4.6 4.9 1.0 HD12 D:LEU96 4.8 7.3 1.0 HG11 D:VAL67 4.8 9.7 1.0 CD1 D:LEU96 4.9 6.6 1.0 HD13 D:LEU96 4.9 7.0 1.0 HG12 D:VAL67 5.0 8.3 1.0

T.Chatake, N.Shibayama, S.Y.Park, K.Kurihara, T.Tamada, I.Tanaka, N.Niimura, R.Kuroki, Y.Morimoto. Protonation States of Buried Histidine Residues in Human Deoxyhemoglobin Revealed By Neutron Crystallography. J.Am.Chem.Soc. V. 129 14840 2007.
ISSN: ISSN 0002-7863
PubMed: 17990881
DOI: 10.1021/JA0749441