Iron in PDB 1hgb: High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin

The structure of High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin, PDB code: 1hgb was solved by R.Liddington, Z.Derewenda, E.Dodson, R.Hubbard, G.Dodson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	95.780, 97.780, 65.490, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin (pdb code 1hgb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin, PDB code: 1hgb:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:20.7 occ:1.00 FE A:HEM142 0.0 20.7 1.0 NA A:HEM142 2.0 22.9 1.0 NB A:HEM142 2.0 15.6 1.0 ND A:HEM142 2.0 22.4 1.0 NC A:HEM142 2.0 38.5 1.0 NE2 A:HIS87 2.2 18.8 1.0 O A:HOH150 2.3 20.0 1.0 CE1 A:HIS87 3.0 21.3 1.0 C4A A:HEM142 3.0 31.9 1.0 C1A A:HEM142 3.0 17.3 1.0 C1B A:HEM142 3.0 21.4 1.0 C4B A:HEM142 3.0 36.7 1.0 C4D A:HEM142 3.0 25.6 1.0 C1C A:HEM142 3.1 22.5 1.0 C1D A:HEM142 3.1 30.5 1.0 C4C A:HEM142 3.1 17.8 1.0 CD2 A:HIS87 3.3 26.6 1.0 CHA A:HEM142 3.4 23.6 1.0 CHC A:HEM142 3.4 13.6 1.0 CHB A:HEM142 3.4 14.3 1.0 CHD A:HEM142 3.4 15.0 1.0 ND1 A:HIS87 4.2 18.0 1.0 C3A A:HEM142 4.2 26.8 1.0 C2A A:HEM142 4.2 15.3 1.0 C2B A:HEM142 4.3 17.9 1.0 C3B A:HEM142 4.3 21.4 1.0 C3D A:HEM142 4.3 24.0 1.0 C2D A:HEM142 4.3 35.0 1.0 NE2 A:HIS58 4.3 25.7 1.0 C3C A:HEM142 4.3 17.1 1.0 C2C A:HEM142 4.3 17.9 1.0 CG A:HIS87 4.4 30.2 1.0 CE1 A:HIS58 4.5 21.4 1.0 CG2 A:VAL62 4.8 11.8 1.0 CD1 A:LEU91 4.9 17.5 1.0

Iron binding site 2 out of 4 in the High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:16.3 occ:1.00 FE B:HEM147 0.0 16.3 1.0 ND B:HEM147 1.9 18.6 1.0 NA B:HEM147 2.0 19.1 1.0 NC B:HEM147 2.0 16.0 1.0 O B:HOH185 2.1 20.0 1.0 NB B:HEM147 2.1 8.9 1.0 NE2 B:HIS92 2.2 16.9 1.0 C4D B:HEM147 2.9 20.2 1.0 C1D B:HEM147 2.9 31.1 1.0 C1A B:HEM147 3.0 14.3 1.0 C4C B:HEM147 3.0 7.0 1.0 C4A B:HEM147 3.1 12.5 1.0 C1C B:HEM147 3.1 18.7 1.0 CE1 B:HIS92 3.1 34.2 1.0 C4B B:HEM147 3.2 15.0 1.0 C1B B:HEM147 3.2 16.5 1.0 CD2 B:HIS92 3.3 17.0 1.0 CHA B:HEM147 3.3 17.9 1.0 CHD B:HEM147 3.4 5.3 1.0 CHC B:HEM147 3.5 11.2 1.0 CHB B:HEM147 3.6 13.1 1.0 NE2 B:HIS63 4.0 32.6 1.0 C3D B:HEM147 4.1 23.3 1.0 C2D B:HEM147 4.2 26.7 1.0 C2A B:HEM147 4.3 10.1 1.0 C3C B:HEM147 4.3 12.9 1.0 ND1 B:HIS92 4.3 21.7 1.0 C2C B:HEM147 4.3 22.6 1.0 C3A B:HEM147 4.3 11.9 1.0 CG B:HIS92 4.4 20.3 1.0 CE1 B:HIS63 4.4 19.3 1.0 C2B B:HEM147 4.4 22.9 1.0 C3B B:HEM147 4.4 16.6 1.0 CG2 B:VAL67 4.6 9.4 1.0 CD1 B:LEU96 4.7 10.3 1.0

Iron binding site 3 out of 4 in the High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:21.8 occ:1.00 FE C:HEM142 0.0 21.8 1.0 NB C:HEM142 2.0 17.5 1.0 NA C:HEM142 2.0 16.0 1.0 NC C:HEM142 2.0 20.9 1.0 ND C:HEM142 2.1 21.8 1.0 O C:HOH150 2.3 20.0 1.0 NE2 C:HIS87 2.4 16.9 1.0 C1B C:HEM142 3.0 28.6 1.0 C4A C:HEM142 3.0 36.4 1.0 C4B C:HEM142 3.0 29.7 1.0 C1C C:HEM142 3.0 28.8 1.0 C1A C:HEM142 3.1 23.4 1.0 C4C C:HEM142 3.1 24.9 1.0 C1D C:HEM142 3.1 17.1 1.0 C4D C:HEM142 3.1 24.6 1.0 CE1 C:HIS87 3.3 38.3 1.0 CD2 C:HIS87 3.3 20.4 1.0 CHB C:HEM142 3.4 23.3 1.0 CHC C:HEM142 3.4 19.4 1.0 CHD C:HEM142 3.5 21.0 1.0 CHA C:HEM142 3.5 22.4 1.0 C2B C:HEM142 4.2 23.3 1.0 C3B C:HEM142 4.2 19.5 1.0 C3A C:HEM142 4.2 48.2 1.0 C2A C:HEM142 4.3 20.0 1.0 NE2 C:HIS58 4.3 22.8 1.0 C2C C:HEM142 4.3 22.2 1.0 C3C C:HEM142 4.3 16.9 1.0 C3D C:HEM142 4.3 11.2 1.0 C2D C:HEM142 4.3 7.4 1.0 CE1 C:HIS58 4.4 40.3 1.0 ND1 C:HIS87 4.4 30.6 1.0 CG C:HIS87 4.5 20.6 1.0 CD1 C:LEU91 4.6 19.5 1.0 CG2 C:VAL62 4.9 14.7 1.0

Iron binding site 4 out of 4 in the High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of High Resolution Crystal Structures and Comparisons of T State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy) Haemoglobin and T(Met)Haemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:27.1 occ:1.00 FE D:HEM147 0.0 27.1 1.0 NB D:HEM147 2.0 11.6 1.0 NA D:HEM147 2.0 33.2 1.0 NC D:HEM147 2.1 32.0 1.0 ND D:HEM147 2.1 37.1 1.0 NE2 D:HIS92 2.1 25.4 1.0 O D:HOH227 2.1 20.0 1.0 C1B D:HEM147 3.0 16.3 1.0 CE1 D:HIS92 3.0 37.0 1.0 C4A D:HEM147 3.0 29.5 1.0 C4B D:HEM147 3.0 20.4 1.0 C1A D:HEM147 3.0 42.1 1.0 C1C D:HEM147 3.1 34.3 1.0 C4D D:HEM147 3.1 30.9 1.0 C1D D:HEM147 3.1 34.8 1.0 C4C D:HEM147 3.1 16.6 1.0 CD2 D:HIS92 3.2 21.4 1.0 CHC D:HEM147 3.4 13.7 1.0 CHB D:HEM147 3.4 20.1 1.0 CHA D:HEM147 3.4 28.9 1.0 CHD D:HEM147 3.5 34.8 1.0 NE2 D:HIS63 3.9 43.3 1.0 ND1 D:HIS92 4.2 26.0 1.0 CG2 D:VAL67 4.2 27.5 1.0 C2B D:HEM147 4.2 22.5 1.0 C3B D:HEM147 4.2 20.3 1.0 C2A D:HEM147 4.3 24.5 1.0 C3A D:HEM147 4.3 34.0 1.0 CG D:HIS92 4.3 14.1 1.0 C3D D:HEM147 4.3 25.8 1.0 C2C D:HEM147 4.3 20.8 1.0 C3C D:HEM147 4.3 22.7 1.0 C2D D:HEM147 4.3 21.1 1.0 CE1 D:HIS63 4.5 24.9 1.0

R.Liddington, Z.Derewenda, E.Dodson, R.Hubbard, G.Dodson. High Resolution Crystal Structures and Comparisons of T-State Deoxyhaemoglobin and Two Liganded T-State Haemoglobins: T(Alpha-Oxy)Haemoglobin and T(Met)Haemoglobin. J.Mol.Biol. V. 228 551 1992.
ISSN: ISSN 0022-2836
PubMed: 1453464
DOI: 10.1016/0022-2836(92)90842-8