Iron in PDB 4vhb: Thiocyanate Adduct of the Bacterial Hemoglobin From Vitreoscilla Sp.

The structure of Thiocyanate Adduct of the Bacterial Hemoglobin From Vitreoscilla Sp., PDB code: 4vhb was solved by M.Bolognesi, A.Boffi, M.Coletta, A.Mozzarelli, A.Pesce, C.Tarricone, P.Ascenzi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	62.620, 40.380, 62.780, 90.00, 105.93, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Iron atom in the Thiocyanate Adduct of the Bacterial Hemoglobin From Vitreoscilla Sp. (pdb code 4vhb). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Thiocyanate Adduct of the Bacterial Hemoglobin From Vitreoscilla Sp., PDB code: 4vhb:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Thiocyanate Adduct of the Bacterial Hemoglobin From Vitreoscilla Sp.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Thiocyanate Adduct of the Bacterial Hemoglobin From Vitreoscilla Sp. within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe150 b:12.7 occ:1.00 FE A:HEM150 0.0 12.7 1.0 NE2 A:HIS85 1.9 11.0 1.0 NB A:HEM150 1.9 15.7 1.0 ND A:HEM150 2.0 12.4 1.0 NA A:HEM150 2.0 16.1 1.0 N A:SCN501 2.1 18.2 1.0 NC A:HEM150 2.1 13.1 1.0 CE1 A:HIS85 2.8 12.1 1.0 C1B A:HEM150 3.0 12.3 1.0 CD2 A:HIS85 3.0 9.0 1.0 C4B A:HEM150 3.0 11.7 1.0 C1D A:HEM150 3.0 11.6 1.0 C4D A:HEM150 3.0 15.6 1.0 C4A A:HEM150 3.1 15.4 1.0 C4C A:HEM150 3.1 15.1 1.0 C1A A:HEM150 3.1 13.4 1.0 C1C A:HEM150 3.1 17.0 1.0 C A:SCN501 3.1 43.4 1.0 CHB A:HEM150 3.4 12.2 1.0 CHD A:HEM150 3.4 13.9 1.0 CHA A:HEM150 3.4 22.3 1.0 CHC A:HEM150 3.4 15.3 1.0 ND1 A:HIS85 4.0 12.3 1.0 CG A:HIS85 4.1 11.8 1.0 C3B A:HEM150 4.2 13.8 1.0 C2B A:HEM150 4.2 15.4 1.0 C3D A:HEM150 4.2 17.9 1.0 C2D A:HEM150 4.3 16.9 1.0 C3C A:HEM150 4.3 11.2 1.0 C2A A:HEM150 4.3 14.1 1.0 C3A A:HEM150 4.3 21.1 1.0 C2C A:HEM150 4.3 11.3 1.0 S A:SCN501 4.4 31.8 1.0 O A:HOH212 4.5 15.4 1.0 CD2 A:LEU57 4.6 23.5 1.0 CG2 A:ILE81 4.9 10.3 1.0

Iron binding site 2 out of 2 in the Thiocyanate Adduct of the Bacterial Hemoglobin From Vitreoscilla Sp.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Thiocyanate Adduct of the Bacterial Hemoglobin From Vitreoscilla Sp. within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe150 b:12.8 occ:1.00 FE B:HEM150 0.0 12.8 1.0 ND B:HEM150 2.0 11.6 1.0 NE2 B:HIS85 2.0 9.7 1.0 NB B:HEM150 2.0 14.3 1.0 NA B:HEM150 2.0 17.2 1.0 NC B:HEM150 2.1 11.6 1.0 N B:SCN601 2.1 17.7 1.0 CE1 B:HIS85 2.9 8.9 1.0 CD2 B:HIS85 3.0 10.4 1.0 C1D B:HEM150 3.0 11.7 1.0 C4D B:HEM150 3.0 13.0 1.0 C1A B:HEM150 3.0 14.0 1.0 C1B B:HEM150 3.0 12.5 1.0 C4C B:HEM150 3.0 13.1 1.0 C4B B:HEM150 3.1 15.8 1.0 C4A B:HEM150 3.1 15.2 1.0 C1C B:HEM150 3.1 12.9 1.0 C B:SCN601 3.1 55.9 1.0 CHD B:HEM150 3.4 13.0 1.0 CHB B:HEM150 3.4 11.7 1.0 CHA B:HEM150 3.4 20.9 1.0 CHC B:HEM150 3.4 12.8 1.0 ND1 B:HIS85 4.1 12.6 1.0 CG B:HIS85 4.1 13.2 1.0 C3D B:HEM150 4.3 15.3 1.0 C3C B:HEM150 4.3 11.7 1.0 C2D B:HEM150 4.3 15.3 1.0 C3B B:HEM150 4.3 18.5 1.0 C2B B:HEM150 4.3 11.9 1.0 C2A B:HEM150 4.3 11.6 1.0 C3A B:HEM150 4.3 15.1 1.0 C2C B:HEM150 4.3 13.4 1.0 S B:SCN601 4.4 28.3 1.0 O B:HOH204 4.4 17.9 1.0 CD2 B:LEU57 4.9 22.7 1.0 CG2 B:ILE81 4.9 12.4 1.0

M.Bolognesi, A.Boffi, M.Coletta, A.Mozzarelli, A.Pesce, C.Tarricone, P.Ascenzi. Anticooperative Ligand Binding Properties of Recombinant Ferric Vitreoscilla Homodimeric Hemoglobin: A Thermodynamic, Kinetic and X-Ray Crystallographic Study. J.Mol.Biol. V. 291 637 1999.
ISSN: ISSN 0022-2836
PubMed: 10448042
DOI: 10.1006/JMBI.1999.2975