Iron in PDB 1fhj: Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution.

The structure of Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution., PDB code: 1fhj was solved by V.Fadel, W.F.De Azevedo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	54.184, 87.725, 133.450, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 24.6

The binding sites of Iron atom in the Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution. (pdb code 1fhj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 4 binding sites of Iron where determined in the Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution., PDB code: 1fhj:
Jump to Iron binding site number: 1; 2; 3; 4;

Iron binding site 1 out of 4 in the Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe142 b:17.1 occ:1.00 FE A:HEM142 0.0 17.1 1.0 ND A:HEM142 1.9 19.9 1.0 NA A:HEM142 2.0 18.2 1.0 NC A:HEM142 2.0 18.2 1.0 NB A:HEM142 2.0 18.5 1.0 NE2 A:HIS87 2.4 15.6 1.0 O A:HOH193 2.8 25.6 1.0 C1D A:HEM142 3.0 20.2 1.0 C1A A:HEM142 3.0 19.7 1.0 C4A A:HEM142 3.0 18.4 1.0 C4D A:HEM142 3.0 20.1 1.0 C1C A:HEM142 3.0 18.2 1.0 C4C A:HEM142 3.0 18.1 1.0 C4B A:HEM142 3.1 17.3 1.0 C1B A:HEM142 3.1 17.2 1.0 CE1 A:HIS87 3.2 15.1 1.0 CHC A:HEM142 3.4 18.5 1.0 CHD A:HEM142 3.4 21.7 1.0 CHB A:HEM142 3.4 18.1 1.0 CHA A:HEM142 3.4 19.4 1.0 CD2 A:HIS87 3.5 13.0 1.0 NE2 A:HIS58 4.2 17.0 1.0 C2A A:HEM142 4.2 21.0 1.0 C3D A:HEM142 4.2 20.6 1.0 C2D A:HEM142 4.2 20.6 1.0 C3A A:HEM142 4.3 18.8 1.0 C2C A:HEM142 4.3 18.2 1.0 C3C A:HEM142 4.3 18.2 1.0 C2B A:HEM142 4.3 17.0 1.0 C3B A:HEM142 4.3 18.2 1.0 ND1 A:HIS87 4.4 15.0 1.0 CE1 A:HIS58 4.5 16.1 1.0 CG A:HIS87 4.5 13.3 1.0 CG2 A:VAL62 4.9 15.7 1.0

Iron binding site 2 out of 4 in the Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe147 b:30.2 occ:1.00 FE B:HEM147 0.0 30.2 1.0 ND B:HEM147 1.9 28.5 1.0 NA B:HEM147 1.9 29.6 1.0 NB B:HEM147 2.0 28.7 1.0 NC B:HEM147 2.0 28.9 1.0 NE2 B:HIS92 2.2 29.4 1.0 C1A B:HEM147 2.9 31.7 1.0 C4D B:HEM147 2.9 30.4 1.0 C1D B:HEM147 3.0 28.6 1.0 C4B B:HEM147 3.0 29.8 1.0 C1C B:HEM147 3.0 28.6 1.0 C4A B:HEM147 3.0 29.5 1.0 C4C B:HEM147 3.1 28.1 1.0 C1B B:HEM147 3.1 29.9 1.0 CE1 B:HIS92 3.1 29.0 1.0 CD2 B:HIS92 3.2 28.6 1.0 CHA B:HEM147 3.2 32.2 1.0 O B:HOH182 3.2 31.5 1.0 CHC B:HEM147 3.4 30.3 1.0 CHD B:HEM147 3.4 27.9 1.0 CHB B:HEM147 3.5 29.7 1.0 C2A B:HEM147 4.1 33.8 1.0 C3D B:HEM147 4.2 31.2 1.0 NE2 B:HIS63 4.2 22.8 1.0 C2D B:HEM147 4.2 29.3 1.0 C3A B:HEM147 4.2 32.0 1.0 CG B:HIS92 4.3 29.1 1.0 ND1 B:HIS92 4.3 29.1 1.0 C2C B:HEM147 4.3 28.4 1.0 C3B B:HEM147 4.3 30.9 1.0 C3C B:HEM147 4.3 27.5 1.0 C2B B:HEM147 4.3 30.0 1.0 CG2 B:VAL67 4.5 30.1 1.0 CE1 B:HIS63 4.9 22.6 1.0

Iron binding site 3 out of 4 in the Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ C:Fe142 b:20.2 occ:1.00 FE C:HEM142 0.0 20.2 1.0 NB C:HEM142 2.0 17.4 1.0 NA C:HEM142 2.0 19.6 1.0 NC C:HEM142 2.0 16.0 1.0 ND C:HEM142 2.0 18.6 1.0 NE2 C:HIS87 2.3 16.5 1.0 O C:HOH183 2.9 23.1 1.0 C4C C:HEM142 3.0 16.4 1.0 C1B C:HEM142 3.0 17.3 1.0 C4A C:HEM142 3.0 21.1 1.0 C4B C:HEM142 3.1 16.9 1.0 C1C C:HEM142 3.1 15.4 1.0 C1D C:HEM142 3.1 17.7 1.0 C4D C:HEM142 3.1 20.9 1.0 C1A C:HEM142 3.1 22.0 1.0 CE1 C:HIS87 3.3 18.5 1.0 CD2 C:HIS87 3.3 17.8 1.0 CHB C:HEM142 3.4 20.0 1.0 CHD C:HEM142 3.4 18.9 1.0 CHC C:HEM142 3.5 16.3 1.0 CHA C:HEM142 3.5 22.6 1.0 C3C C:HEM142 4.2 16.5 1.0 C2C C:HEM142 4.3 16.3 1.0 C2B C:HEM142 4.3 18.2 1.0 C3A C:HEM142 4.3 23.3 1.0 C3B C:HEM142 4.3 19.0 1.0 C2A C:HEM142 4.3 24.5 1.0 C2D C:HEM142 4.3 20.3 1.0 C3D C:HEM142 4.3 20.4 1.0 NE2 C:HIS58 4.4 11.9 1.0 ND1 C:HIS87 4.4 19.0 1.0 CG C:HIS87 4.5 18.9 1.0 CE1 C:HIS58 4.7 12.2 1.0

Iron binding site 4 out of 4 in the Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 4 of Crystal Structure of Aquomet Hemoglobin-I of the Maned Wolf (Chrysocyon Brachyurus) at 2.0 Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ D:Fe147 b:25.6 occ:1.00 FE D:HEM147 0.0 25.6 1.0 NA D:HEM147 1.9 33.0 1.0 ND D:HEM147 2.0 32.7 1.0 NC D:HEM147 2.0 29.6 1.0 NB D:HEM147 2.0 29.9 1.0 NE2 D:HIS92 2.1 30.6 1.0 C1A D:HEM147 3.0 34.8 1.0 O D:HOH190 3.0 34.4 1.0 CE1 D:HIS92 3.0 31.8 1.0 C4D D:HEM147 3.0 33.4 1.0 C4A D:HEM147 3.0 33.7 1.0 C1D D:HEM147 3.0 32.5 1.0 C4C D:HEM147 3.1 28.2 1.0 C1B D:HEM147 3.1 30.4 1.0 C1C D:HEM147 3.1 27.2 1.0 C4B D:HEM147 3.2 27.9 1.0 CD2 D:HIS92 3.2 29.6 1.0 CHA D:HEM147 3.3 34.4 1.0 CHD D:HEM147 3.4 30.6 1.0 CHB D:HEM147 3.4 31.9 1.0 CHC D:HEM147 3.5 25.8 1.0 ND1 D:HIS92 4.2 32.4 1.0 NE2 D:HIS63 4.2 26.0 1.0 C2A D:HEM147 4.2 36.5 1.0 C3A D:HEM147 4.2 34.4 1.0 CG D:HIS92 4.3 32.2 1.0 C3D D:HEM147 4.3 33.1 1.0 C2D D:HEM147 4.3 32.7 1.0 C3C D:HEM147 4.3 25.9 1.0 C2B D:HEM147 4.4 28.9 1.0 C2C D:HEM147 4.4 26.6 1.0 C3B D:HEM147 4.4 28.1 1.0 CE1 D:HIS63 4.6 23.8 1.0 CG2 D:VAL67 4.7 27.2 1.0

V.Fadel, F.Canduri, J.R.Olivieri, A.L.Smarra, M.F.Colombo, G.O.Bonilla-Rodriguez, W.F.De Azevedo. Crystal Structure of Hemoglobin From the Maned Wolf (Chrysocyon Brachyurus) Using Synchrotron Radiation. Protein Pept.Lett. V. 10 551 2003.
ISSN: ISSN 0929-8665
PubMed: 14683506