Iron in PDB 3kmf: Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin

The binding sites of Iron atom in the Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin (pdb code 3kmf). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin, PDB code: 3kmf:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:7.0 occ:1.00 FE A:HEM142 0.0 7.0 1.0 ND A:HEM142 2.0 4.2 1.0 NA A:HEM142 2.0 6.9 1.0 NB A:HEM142 2.0 8.1 1.0 NC A:HEM142 2.0 6.9 1.0 NE2 A:HIS87 2.4 12.1 1.0 D1 A:DOD1087 2.8 18.6 1.0 C1D A:HEM142 3.0 4.3 1.0 HE1 A:HIS87 3.0 11.2 1.0 C4D A:HEM142 3.0 4.0 1.0 CE1 A:HIS87 3.0 12.2 1.0 C1B A:HEM142 3.1 7.2 1.0 C4C A:HEM142 3.1 4.8 1.0 C4A A:HEM142 3.1 6.5 1.0 C4B A:HEM142 3.1 8.7 1.0 C1A A:HEM142 3.1 6.2 1.0 C1C A:HEM142 3.1 6.0 1.0 CHD A:HEM142 3.4 6.3 1.0 CHB A:HEM142 3.4 7.4 1.0 CHA A:HEM142 3.4 4.8 1.0 CHC A:HEM142 3.5 8.8 1.0 O A:DOD1087 3.5 19.6 1.0 CD2 A:HIS87 3.6 11.5 1.0 HD13 A:LEU91 3.8 12.5 1.0 HD2 A:HIS87 3.9 11.8 1.0 HE1 A:HIS58 4.0 16.3 1.0 D2 A:DOD1087 4.2 19.4 1.0 C2D A:HEM142 4.3 4.0 1.0 C3D A:HEM142 4.3 4.0 1.0 ND1 A:HIS87 4.3 11.2 1.0 DE2 A:HIS58 4.3 13.8 1.0 C2B A:HEM142 4.3 10.6 1.0 C3B A:HEM142 4.3 10.1 1.0 C3C A:HEM142 4.3 4.6 1.0 C3A A:HEM142 4.3 5.9 1.0 C2A A:HEM142 4.4 5.6 1.0 C2C A:HEM142 4.4 4.4 1.0 HHD A:HEM142 4.4 4.6 1.0 HHA A:HEM142 4.4 5.8 1.0 HHB A:HEM142 4.4 4.4 1.0 HHC A:HEM142 4.5 7.6 1.0 CD1 A:LEU91 4.5 13.9 1.0 CG A:HIS87 4.6 10.2 1.0 HD11 A:LEU91 4.6 13.9 1.0 HD12 A:LEU91 4.6 12.9 1.0 HG23 A:VAL62 4.6 12.9 1.0 HG21 A:VAL93 4.7 13.7 1.0 CE1 A:HIS58 4.7 12.8 1.0 NE2 A:HIS58 4.8 12.6 1.0

Iron binding site 2 out of 4 in the Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe347 b:7.0 occ:1.00 FE C:HEM347 0.0 7.0 1.0 NA C:HEM347 2.0 8.4 1.0 NB C:HEM347 2.0 6.9 1.0 ND C:HEM347 2.0 5.8 1.0 NC C:HEM347 2.0 5.8 1.0 NE2 C:HIS292 2.4 8.2 1.0 C4B C:HEM347 3.0 7.0 1.0 C4D C:HEM347 3.0 6.2 1.0 C1A C:HEM347 3.0 7.8 1.0 C1D C:HEM347 3.0 5.8 1.0 C1C C:HEM347 3.0 4.6 1.0 C4A C:HEM347 3.0 8.1 1.0 C4C C:HEM347 3.0 4.1 1.0 C1B C:HEM347 3.1 6.8 1.0 CE1 C:HIS292 3.2 7.7 1.0 HE1 C:HIS292 3.2 6.6 1.0 CHA C:HEM347 3.3 7.2 1.0 CHC C:HEM347 3.3 5.6 1.0 DE2 C:HIS263 3.4 12.2 1.0 CHD C:HEM347 3.4 5.2 1.0 CHB C:HEM347 3.4 7.3 1.0 HG22 C:VAL267 3.5 7.4 1.0 CD2 C:HIS292 3.6 9.1 1.0 HD2 C:HIS292 3.9 8.7 1.0 NE2 C:HIS263 4.2 11.5 1.0 C3B C:HEM347 4.2 8.6 1.0 C3A C:HEM347 4.2 10.4 1.0 C2A C:HEM347 4.2 8.6 1.0 C2D C:HEM347 4.3 7.2 1.0 C3D C:HEM347 4.3 6.0 1.0 C2C C:HEM347 4.3 4.9 1.0 C2B C:HEM347 4.3 6.6 1.0 C3C C:HEM347 4.3 4.0 1.0 ND1 C:HIS292 4.4 6.8 1.0 HHC C:HEM347 4.4 6.7 1.0 HHA C:HEM347 4.4 6.4 1.0 HE1 C:HIS263 4.4 11.1 1.0 HE1 C:PHE303 4.5 6.5 1.0 HD13 C:LEU296 4.5 9.1 1.0 HHD C:HEM347 4.5 5.2 1.0 CG2 C:VAL267 4.5 8.6 1.0 HHB C:HEM347 4.5 6.9 1.0 CG C:HIS292 4.6 9.1 1.0 HG21 C:VAL267 4.7 8.4 1.0 CE1 C:HIS263 4.7 12.2 1.0 HG23 C:VAL267 4.9 8.5 1.0

Iron binding site 3 out of 4 in the Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ E:Fe542 b:8.5 occ:1.00 FE E:HEM542 0.0 8.5 1.0 NA E:HEM542 2.0 9.1 1.0 NC E:HEM542 2.0 8.5 1.0 NB E:HEM542 2.0 9.4 1.0 ND E:HEM542 2.0 7.2 1.0 NE2 E:HIS487 2.6 5.3 1.0 C1C E:HEM542 3.0 8.7 1.0 C4B E:HEM542 3.0 7.3 1.0 C1A E:HEM542 3.0 8.2 1.0 C4D E:HEM542 3.0 5.6 1.0 C4A E:HEM542 3.1 7.5 1.0 C1B E:HEM542 3.1 8.0 1.0 C1D E:HEM542 3.1 6.5 1.0 C4C E:HEM542 3.1 8.0 1.0 O E:DOD1137 3.3 42.9 1.0 D1 E:DOD1137 3.3 42.7 1.0 CHC E:HEM542 3.4 8.5 1.0 CHA E:HEM542 3.4 6.9 1.0 CHB E:HEM542 3.4 8.0 1.0 CE1 E:HIS487 3.4 8.3 1.0 CHD E:HEM542 3.4 6.9 1.0 HE1 E:HIS487 3.5 6.4 1.0 DE2 E:HIS458 3.6 15.9 1.0 CD2 E:HIS487 3.7 7.6 1.0 HE1 E:HIS458 3.7 15.6 1.0 HD2 E:HIS487 3.9 7.3 1.0 HD11 E:LEU491 4.1 7.0 1.0 D2 E:DOD1137 4.3 43.8 1.0 C3B E:HEM542 4.3 6.5 1.0 C2B E:HEM542 4.3 7.5 1.0 C3A E:HEM542 4.3 7.7 1.0 C2C E:HEM542 4.3 7.7 1.0 NE2 E:HIS458 4.3 14.0 1.0 C3C E:HEM542 4.3 8.8 1.0 C2A E:HEM542 4.3 8.5 1.0 C3D E:HEM542 4.3 5.3 1.0 CE1 E:HIS458 4.3 14.9 1.0 C2D E:HEM542 4.3 4.4 1.0 HHA E:HEM542 4.4 6.8 1.0 HHC E:HEM542 4.5 8.2 1.0 HD13 E:LEU491 4.5 6.7 1.0 HHD E:HEM542 4.5 5.8 1.0 HHB E:HEM542 4.5 7.4 1.0 HG23 E:VAL462 4.5 7.5 1.0 ND1 E:HIS487 4.6 9.0 1.0 HG23 E:VAL493 4.7 10.2 1.0 CD1 E:LEU491 4.7 6.2 1.0 CG E:HIS487 4.8 9.2 1.0 HG13 E:VAL462 4.9 6.6 1.0 HZ E:PHE443 4.9 7.3 1.0

Iron binding site 4 out of 4 in the Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Room Temperature Time-of-Flight Neutron Diffraction Study of Deoxy Human Normal Adult Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ G:Fe747 b:5.4 occ:1.00 FE G:HEM747 0.0 5.4 1.0 NA G:HEM747 2.0 6.3 1.0 NB G:HEM747 2.0 5.2 1.0 ND G:HEM747 2.0 8.0 1.0 NC G:HEM747 2.0 4.0 1.0 NE2 G:HIS692 2.4 9.3 1.0 C1A G:HEM747 3.0 9.1 1.0 C4D G:HEM747 3.0 8.9 1.0 C4B G:HEM747 3.0 7.1 1.0 C1C G:HEM747 3.0 5.8 1.0 C4A G:HEM747 3.0 6.4 1.0 C1B G:HEM747 3.0 5.3 1.0 C4C G:HEM747 3.1 6.1 1.0 C1D G:HEM747 3.1 5.2 1.0 HE1 G:HIS692 3.1 10.3 1.0 CE1 G:HIS692 3.1 11.1 1.0 HG21 G:VAL667 3.1 8.9 1.0 CHA G:HEM747 3.4 8.9 1.0 CHC G:HEM747 3.4 7.8 1.0 CHB G:HEM747 3.4 4.1 1.0 DE2 G:HIS663 3.4 21.3 1.0 CHD G:HEM747 3.4 7.2 1.0 CD2 G:HIS692 3.6 10.7 1.0 HD2 G:HIS692 4.0 11.5 1.0 CG2 G:VAL667 4.0 9.7 1.0 HG23 G:VAL667 4.0 9.2 1.0 NE2 G:HIS663 4.2 21.8 1.0 HE1 G:HIS663 4.2 22.9 1.0 C3D G:HEM747 4.3 9.1 1.0 C3B G:HEM747 4.3 6.5 1.0 C2C G:HEM747 4.3 6.0 1.0 C3A G:HEM747 4.3 7.0 1.0 C2D G:HEM747 4.3 5.7 1.0 C2B G:HEM747 4.3 6.2 1.0 C2A G:HEM747 4.3 11.4 1.0 ND1 G:HIS692 4.3 13.0 1.0 HG22 G:VAL667 4.3 10.0 1.0 C3C G:HEM747 4.3 6.1 1.0 HE1 G:PHE703 4.4 11.3 1.0 HHA G:HEM747 4.4 8.9 1.0 HHC G:HEM747 4.4 9.4 1.0 HHD G:HEM747 4.5 7.2 1.0 HHB G:HEM747 4.5 6.0 1.0 CE1 G:HIS663 4.6 22.0 1.0 HD13 G:LEU696 4.6 14.8 1.0 CG G:HIS692 4.6 12.3 1.0 HG12 G:VAL667 4.8 9.5 1.0 HD11 G:LEU696 4.9 14.5 1.0 HD12 G:LEU696 4.9 15.9 1.0

A.Y.Kovalevsky, T.Chatake, N.Shibayama, S.Y.Park, T.Ishikawa, M.Mustyakimov, Z.Fisher, P.Langan, Y.Morimoto. Direct Determination of Protonation States of Histidine Residues in A 2 A Neutron Structure of Deoxy-Human Normal Adult Hemoglobin and Implications For the Bohr Effect. J.Mol.Biol. V. 398 276 2010.
ISSN: ISSN 0022-2836
PubMed: 20230836
DOI: 10.1016/J.JMB.2010.03.016