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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

Protein crystallography data

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

Iron Binding Sites:

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 1hgb

Go back to Iron Binding Sites List in 1hgb
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 1hgb

Go back to Iron Binding Sites List in 1hgb
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 1hgb

Go back to Iron Binding Sites List in 1hgb
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 1hgb

Go back to Iron Binding Sites List in 1hgb
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

Reference:

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
Page generated: Sun Dec 13 14:17:38 2020

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