Iron in PDB 3tm3: Wild-Type Hemoglobin From Vitreoscilla Stercoraria

The structure of Wild-Type Hemoglobin From Vitreoscilla Stercoraria, PDB code: 3tm3 was solved by S.Ratakonda, A.Anand, K.Dikshit, B.C.Stark, A.J.Howard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.93 / 1.75
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	75.156, 99.013, 41.015, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 20.4

The binding sites of Iron atom in the Wild-Type Hemoglobin From Vitreoscilla Stercoraria (pdb code 3tm3). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Wild-Type Hemoglobin From Vitreoscilla Stercoraria, PDB code: 3tm3:

Iron binding site 1 out of 1 in the Wild-Type Hemoglobin From Vitreoscilla Stercoraria


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Wild-Type Hemoglobin From Vitreoscilla Stercoraria within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:13.9 occ:1.00 FE A:HEM201 0.0 13.9 1.0 NB A:HEM201 2.1 13.9 1.0 NA A:HEM201 2.1 14.3 1.0 ND A:HEM201 2.1 13.5 1.0 NC A:HEM201 2.1 15.9 1.0 NE2 A:HIS85 2.3 15.1 1.0 C4B A:HEM201 3.1 15.8 1.0 C1A A:HEM201 3.1 16.2 1.0 C1C A:HEM201 3.1 14.8 1.0 C4D A:HEM201 3.1 16.9 1.0 C1D A:HEM201 3.1 14.3 1.0 C1B A:HEM201 3.1 13.0 1.0 C4A A:HEM201 3.1 14.3 1.0 C4C A:HEM201 3.1 14.7 1.0 HG A:LEU57 3.2 24.9 1.0 CE1 A:HIS85 3.2 15.6 1.0 CD2 A:HIS85 3.2 17.4 1.0 HD11 A:LEU57 3.3 29.5 1.0 HE1 A:HIS85 3.4 18.8 1.0 HD2 A:HIS85 3.4 20.9 1.0 HD12 A:LEU57 3.4 29.5 1.0 CHA A:HEM201 3.4 18.6 1.0 CHC A:HEM201 3.4 17.4 1.0 CHB A:HEM201 3.5 13.9 1.0 CHD A:HEM201 3.5 16.6 1.0 CD1 A:LEU57 3.7 24.6 1.0 CG A:LEU57 3.9 20.7 1.0 C2C A:HEM201 4.3 14.9 1.0 C3B A:HEM201 4.3 15.3 1.0 C2B A:HEM201 4.3 14.4 1.0 ND1 A:HIS85 4.3 15.6 1.0 C2D A:HEM201 4.3 14.5 1.0 C2A A:HEM201 4.3 15.4 1.0 C3D A:HEM201 4.3 14.9 1.0 C3A A:HEM201 4.3 14.0 1.0 C3C A:HEM201 4.3 14.6 1.0 CG A:HIS85 4.3 17.2 1.0 HG23 A:ILE81 4.4 23.3 1.0 HHA A:HEM201 4.4 22.3 1.0 HD21 A:LEU57 4.4 22.2 1.0 HHC A:HEM201 4.4 20.9 1.0 HHB A:HEM201 4.4 16.6 1.0 HHD A:HEM201 4.4 19.9 1.0 HG21 A:ILE81 4.5 23.3 1.0 HG21 A:VAL90 4.6 22.1 1.0 HG22 A:ILE81 4.6 23.3 1.0 HD13 A:LEU57 4.6 29.5 1.0 CG2 A:ILE81 4.7 19.4 1.0 CD2 A:LEU57 4.7 18.5 1.0 HB2 A:LEU57 4.8 20.5 1.0 CB A:LEU57 5.0 17.1 1.0

S.Ratakonda, A.Anand, K.Dikshit, B.C.Stark, A.J.Howard. Crystallographic Structure Determination of B10 Mutants of Vitreoscilla Hemoglobin: Role of TYR29 (B10) in the Structure of the Ligand-Binding Site. Acta Crystallogr.,Sect.F V. 69 215 2013.
ISSN: ESSN 1744-3091
PubMed: 23519792
DOI: 10.1107/S1744309112044818