Iron in PDB 3tm9: Y29A Mutant of Vitreoscilla Stercoraria Hemoglobin

The structure of Y29A Mutant of Vitreoscilla Stercoraria Hemoglobin, PDB code: 3tm9 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)	31.12 / 1.72
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	85.194, 46.426, 62.873, 90.00, 128.84, 90.00
R / Rfree (%)	17.2 / 20.6

The binding sites of Iron atom in the Y29A Mutant of Vitreoscilla Stercoraria Hemoglobin (pdb code 3tm9). 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 Y29A Mutant of Vitreoscilla Stercoraria Hemoglobin, PDB code: 3tm9:

Iron binding site 1 out of 1 in the Y29A Mutant of Vitreoscilla Stercoraria Hemoglobin


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Y29A Mutant of Vitreoscilla Stercoraria Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:16.4 occ:1.00 FE A:HEM201 0.0 16.4 1.0 NC A:HEM201 1.8 12.4 1.0 NA A:HEM201 1.9 19.8 1.0 NB A:HEM201 2.1 12.2 1.0 ND A:HEM201 2.1 14.3 1.0 NE2 A:HIS85 2.2 14.1 1.0 HG A:LEU57 2.9 24.3 1.0 C4C A:HEM201 2.9 17.1 1.0 C1C A:HEM201 2.9 14.8 1.0 C1A A:HEM201 3.0 26.8 1.0 C4A A:HEM201 3.0 19.2 1.0 C1D A:HEM201 3.1 15.2 1.0 C1B A:HEM201 3.1 13.8 1.0 CE1 A:HIS85 3.1 16.9 1.0 C4D A:HEM201 3.1 20.7 1.0 C4B A:HEM201 3.1 12.8 1.0 CD2 A:HIS85 3.2 15.3 1.0 HE1 A:HIS85 3.2 20.4 1.0 HD2 A:HIS85 3.4 18.3 1.0 CHA A:HEM201 3.4 28.1 1.0 CHD A:HEM201 3.4 17.2 1.0 CHC A:HEM201 3.4 14.8 1.0 CHB A:HEM201 3.4 17.0 1.0 HD12 A:LEU57 3.5 22.4 1.0 CG A:LEU57 3.7 20.3 1.0 HD11 A:LEU57 3.8 22.4 1.0 CD1 A:LEU57 3.9 18.7 1.0 C3C A:HEM201 4.1 17.4 1.0 C2C A:HEM201 4.1 14.5 1.0 C2A A:HEM201 4.2 29.8 1.0 C3A A:HEM201 4.2 23.9 1.0 O A:HOH311 4.2 26.5 1.0 HB2 A:LEU57 4.2 18.8 1.0 HG21 A:ILE81 4.2 17.2 1.0 ND1 A:HIS85 4.2 14.8 1.0 HG23 A:ILE81 4.3 17.2 1.0 C2D A:HEM201 4.3 15.8 1.0 HHD A:HEM201 4.3 20.6 1.0 CG A:HIS85 4.3 14.1 1.0 C2B A:HEM201 4.3 12.6 1.0 C3D A:HEM201 4.3 20.0 1.0 HHA A:HEM201 4.4 33.7 1.0 C3B A:HEM201 4.4 11.5 1.0 HHC A:HEM201 4.4 17.8 1.0 HHB A:HEM201 4.4 20.4 1.0 HA A:LEU57 4.4 18.5 1.0 CB A:LEU57 4.5 15.7 1.0 CG2 A:ILE81 4.6 14.3 1.0 HD21 A:LEU57 4.6 30.1 1.0 HG22 A:ILE81 4.6 17.2 1.0 CD2 A:LEU57 4.7 25.1 1.0 HG21 A:VAL90 4.8 22.9 1.0 HD13 A:LEU57 4.8 22.4 1.0 HD23 A:LEU57 5.0 30.1 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