Iron in PDB 1bab: Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus

The structure of Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus, PDB code: 1bab was solved by J.S.Kavanaugh, A.Arnone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	N/A / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	63.200, 83.600, 53.800, 90.00, 99.30, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus (pdb code 1bab). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus, PDB code: 1bab:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe143 b:2.0 occ:1.00 FE A:HEM143 0.0 2.0 1.0 ND A:HEM143 2.0 11.7 1.0 NC A:HEM143 2.1 11.7 1.0 NA A:HEM143 2.1 14.6 1.0 NB A:HEM143 2.1 11.9 1.0 NE2 A:HIS88 2.2 11.0 1.0 C4D A:HEM143 3.1 11.4 1.0 C1D A:HEM143 3.1 8.9 1.0 CE1 A:HIS88 3.1 8.9 1.0 C1C A:HEM143 3.1 10.3 1.0 C1A A:HEM143 3.1 12.2 1.0 C4C A:HEM143 3.1 10.3 1.0 C1B A:HEM143 3.1 11.9 1.0 C4B A:HEM143 3.1 10.7 1.0 C4A A:HEM143 3.1 14.2 1.0 CD2 A:HIS88 3.3 8.2 1.0 CHA A:HEM143 3.4 11.1 1.0 CHD A:HEM143 3.5 10.8 1.0 CHB A:HEM143 3.5 12.8 1.0 CHC A:HEM143 3.5 8.3 1.0 O A:HOH307 3.5 20.9 1.0 ND1 A:HIS88 4.3 10.6 1.0 C3D A:HEM143 4.3 13.1 1.0 C2D A:HEM143 4.3 13.8 1.0 C2C A:HEM143 4.3 12.5 1.0 C2A A:HEM143 4.3 15.6 1.0 C3B A:HEM143 4.4 13.4 1.0 C3C A:HEM143 4.4 11.4 1.0 C2B A:HEM143 4.4 11.8 1.0 C3A A:HEM143 4.4 15.1 1.0 CG A:HIS88 4.4 10.8 1.0 CD1 A:LEU92 4.4 12.4 1.0 NE2 A:HIS59 4.5 13.0 1.0 CE1 A:HIS59 4.5 17.6 1.0

Iron binding site 2 out of 4 in the Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:2.0 occ:1.00 FE B:HEM147 0.0 2.0 1.0 NC B:HEM147 2.0 11.3 1.0 ND B:HEM147 2.1 12.4 1.0 NA B:HEM147 2.1 13.5 1.0 NB B:HEM147 2.1 11.7 1.0 NE2 B:HIS92 2.2 10.4 1.0 CE1 B:HIS92 3.1 10.4 1.0 C4C B:HEM147 3.1 8.4 1.0 C1C B:HEM147 3.1 9.7 1.0 C1B B:HEM147 3.1 9.5 1.0 C4B B:HEM147 3.1 10.2 1.0 C1D B:HEM147 3.1 9.7 1.0 C4A B:HEM147 3.1 11.1 1.0 C1A B:HEM147 3.1 14.8 1.0 C4D B:HEM147 3.1 14.8 1.0 CD2 B:HIS92 3.2 8.8 1.0 CHB B:HEM147 3.4 11.2 1.0 CHC B:HEM147 3.5 9.5 1.0 CHD B:HEM147 3.5 9.2 1.0 CHA B:HEM147 3.5 11.4 1.0 CG2 B:VAL67 4.2 14.4 1.0 NE2 B:HIS63 4.2 17.6 1.0 ND1 B:HIS92 4.3 12.3 1.0 C2A B:HEM147 4.3 13.4 1.0 C2C B:HEM147 4.3 11.5 1.0 C3D B:HEM147 4.3 12.1 1.0 C3B B:HEM147 4.3 10.6 1.0 C3A B:HEM147 4.3 12.4 1.0 C3C B:HEM147 4.3 10.2 1.0 C2D B:HEM147 4.3 9.8 1.0 C2B B:HEM147 4.3 8.4 1.0 CG B:HIS92 4.4 13.9 1.0 CE1 B:HIS63 4.5 20.3 1.0 CD1 B:LEU96 5.0 11.1 1.0

Iron binding site 3 out of 4 in the Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe143 b:2.0 occ:1.00 FE C:HEM143 0.0 2.0 1.0 NC C:HEM143 2.0 9.7 1.0 NB C:HEM143 2.1 11.8 1.0 ND C:HEM143 2.1 10.2 1.0 NA C:HEM143 2.1 13.4 1.0 NE2 C:HIS88 2.2 11.1 1.0 CE1 C:HIS88 3.1 8.0 1.0 C1C C:HEM143 3.1 8.9 1.0 C1D C:HEM143 3.1 9.2 1.0 C4B C:HEM143 3.1 7.3 1.0 C4C C:HEM143 3.1 8.4 1.0 C1B C:HEM143 3.1 12.2 1.0 C1A C:HEM143 3.1 11.7 1.0 C4D C:HEM143 3.1 8.2 1.0 C4A C:HEM143 3.1 9.9 1.0 CD2 C:HIS88 3.3 8.1 1.0 CHC C:HEM143 3.4 8.0 1.0 CHA C:HEM143 3.4 9.5 1.0 CHD C:HEM143 3.5 9.9 1.0 CHB C:HEM143 3.5 12.0 1.0 O C:HOH299 3.7 22.1 1.0 ND1 C:HIS88 4.3 11.2 1.0 C3D C:HEM143 4.3 10.5 1.0 C2C C:HEM143 4.3 10.4 1.0 C3B C:HEM143 4.3 9.0 1.0 C3C C:HEM143 4.3 9.6 1.0 C2D C:HEM143 4.3 13.6 1.0 C2A C:HEM143 4.3 11.3 1.0 C2B C:HEM143 4.3 12.5 1.0 C3A C:HEM143 4.4 9.8 1.0 CG C:HIS88 4.4 8.5 1.0 NE2 C:HIS59 4.4 12.8 1.0 CD1 C:LEU92 4.5 12.1 1.0 CE1 C:HIS59 4.5 15.0 1.0

Iron binding site 4 out of 4 in the Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Hemoglobin Thionville: An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:2.2 occ:1.00 FE D:HEM147 0.0 2.2 1.0 ND D:HEM147 2.0 12.1 1.0 NC D:HEM147 2.1 10.9 1.0 NB D:HEM147 2.1 12.1 1.0 NA D:HEM147 2.1 14.2 1.0 NE2 D:HIS92 2.2 12.7 1.0 C1D D:HEM147 3.1 14.3 1.0 C4B D:HEM147 3.1 10.5 1.0 C4D D:HEM147 3.1 11.4 1.0 C1B D:HEM147 3.1 10.7 1.0 C4C D:HEM147 3.1 10.2 1.0 C1A D:HEM147 3.1 12.8 1.0 C1C D:HEM147 3.1 10.6 1.0 C4A D:HEM147 3.1 11.6 1.0 CE1 D:HIS92 3.1 9.1 1.0 CD2 D:HIS92 3.2 9.1 1.0 CHA D:HEM147 3.4 9.5 1.0 CHD D:HEM147 3.4 11.0 1.0 CHB D:HEM147 3.5 10.2 1.0 CHC D:HEM147 3.5 9.0 1.0 CG2 D:VAL67 4.3 14.4 1.0 C3D D:HEM147 4.3 12.8 1.0 ND1 D:HIS92 4.3 11.4 1.0 C3B D:HEM147 4.3 12.2 1.0 C2D D:HEM147 4.3 16.7 1.0 C2B D:HEM147 4.3 11.2 1.0 NE2 D:HIS63 4.3 23.7 1.0 CG D:HIS92 4.3 13.5 1.0 C2A D:HEM147 4.3 15.4 1.0 C3C D:HEM147 4.3 11.2 1.0 C2C D:HEM147 4.4 11.1 1.0 C3A D:HEM147 4.4 13.4 1.0 CE1 D:HIS63 4.7 22.1 1.0 CD1 D:LEU96 4.9 11.4 1.0

C.Vasseur, Y.Blouquit, J.Kister, D.Prome, J.S.Kavanaugh, P.H.Rogers, C.Guillemin, A.Arnone, F.Galacteros, C.Poyart, J.Rosa, H.Wajcman. Hemoglobin Thionville. An Alpha-Chain Variant with A Substitution of A Glutamate For Valine at Na-1 and Having An Acetylated Methionine NH2 Terminus. J.Biol.Chem. V. 267 12682 1992.
ISSN: ISSN 0021-9258
PubMed: 1618774