Iron in PDB 3tld: Crystal Structure of Y29F Mutant of Vitreoscilla Hemoglobin

The structure of Crystal Structure of Y29F Mutant of Vitreoscilla Hemoglobin, PDB code: 3tld 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)	31.57 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	61.614, 41.068, 62.395, 90.00, 105.58, 90.00
R / Rfree (%)	16.5 / 18.9

The binding sites of Iron atom in the Crystal Structure of Y29F Mutant of Vitreoscilla Hemoglobin (pdb code 3tld). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Y29F Mutant of Vitreoscilla Hemoglobin, PDB code: 3tld:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Y29F Mutant of Vitreoscilla Hemoglobin


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 Y29F Mutant of Vitreoscilla Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:10.6 occ:1.00 FE A:HEM201 0.0 10.6 1.0 NA A:HEM201 2.0 8.6 1.0 NB A:HEM201 2.1 9.6 1.0 NC A:HEM201 2.1 8.5 1.0 ND A:HEM201 2.1 11.9 1.0 NE2 A:HIS85 2.3 14.0 1.0 HG A:LEU57 3.0 14.6 1.0 C1A A:HEM201 3.1 10.1 1.0 C1C A:HEM201 3.1 9.0 1.0 C1B A:HEM201 3.1 10.0 1.0 C4B A:HEM201 3.1 9.4 1.0 C4A A:HEM201 3.1 7.8 1.0 C4D A:HEM201 3.1 11.5 1.0 C1D A:HEM201 3.1 11.4 1.0 C4C A:HEM201 3.1 10.1 1.0 CE1 A:HIS85 3.2 13.4 1.0 CD2 A:HIS85 3.3 12.4 1.0 HD11 A:LEU57 3.3 14.6 1.0 HE1 A:HIS85 3.4 16.1 1.0 CHC A:HEM201 3.4 9.2 1.0 CHA A:HEM201 3.4 13.2 1.0 CHB A:HEM201 3.4 8.1 1.0 HD2 A:HIS85 3.5 14.8 1.0 HD12 A:LEU57 3.5 14.6 1.0 CHD A:HEM201 3.5 9.3 1.0 CD1 A:LEU57 3.7 12.1 1.0 CG A:LEU57 3.8 12.2 1.0 HD21 A:LEU57 4.3 13.8 1.0 C2A A:HEM201 4.3 9.4 1.0 C3A A:HEM201 4.3 8.3 1.0 C2B A:HEM201 4.3 10.4 1.0 C3B A:HEM201 4.3 11.4 1.0 C2C A:HEM201 4.3 10.6 1.0 C3D A:HEM201 4.3 14.2 1.0 C3C A:HEM201 4.3 10.9 1.0 C2D A:HEM201 4.3 12.8 1.0 ND1 A:HIS85 4.3 11.6 1.0 HG21 A:ILE81 4.4 19.6 1.0 CG A:HIS85 4.4 11.7 1.0 HHC A:HEM201 4.4 11.0 1.0 HHA A:HEM201 4.4 15.8 1.0 HHB A:HEM201 4.4 9.8 1.0 HG22 A:ILE81 4.4 19.6 1.0 HHD A:HEM201 4.4 11.2 1.0 HG23 A:ILE81 4.6 19.6 1.0 CD2 A:LEU57 4.6 11.5 1.0 HD13 A:LEU57 4.6 14.6 1.0 CG2 A:ILE81 4.7 16.4 1.0 HG21 A:VAL90 4.7 13.5 1.0 HB2 A:LEU57 4.7 12.6 1.0 CB A:LEU57 4.9 10.5 1.0 HG3 A:PRO54 5.0 23.1 1.0 HD23 A:LEU57 5.0 13.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Y29F Mutant of Vitreoscilla Hemoglobin


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 Y29F Mutant of Vitreoscilla Hemoglobin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe201 b:10.5 occ:1.00 FE B:HEM201 0.0 10.5 1.0 NA B:HEM201 2.1 10.4 1.0 NB B:HEM201 2.1 10.1 1.0 NC B:HEM201 2.1 11.0 1.0 ND B:HEM201 2.1 11.9 1.0 NE2 B:HIS85 2.3 13.9 1.0 HG B:LEU57 3.0 15.2 1.0 C1B B:HEM201 3.1 10.9 1.0 C1C B:HEM201 3.1 11.1 1.0 C1A B:HEM201 3.1 9.9 1.0 C4A B:HEM201 3.1 9.9 1.0 C1D B:HEM201 3.1 12.1 1.0 C4D B:HEM201 3.1 12.5 1.0 C4B B:HEM201 3.1 10.9 1.0 C4C B:HEM201 3.1 11.1 1.0 CE1 B:HIS85 3.2 13.4 1.0 CD2 B:HIS85 3.3 13.6 1.0 HD11 B:LEU57 3.3 16.8 1.0 HE1 B:HIS85 3.4 16.1 1.0 HD2 B:HIS85 3.4 16.3 1.0 CHB B:HEM201 3.4 10.3 1.0 CHC B:HEM201 3.4 11.4 1.0 CHA B:HEM201 3.4 12.0 1.0 CHD B:HEM201 3.5 11.3 1.0 HD12 B:LEU57 3.5 16.8 1.0 CD1 B:LEU57 3.7 14.0 1.0 CG B:LEU57 3.8 12.6 1.0 HD21 B:LEU57 4.2 15.9 1.0 C2B B:HEM201 4.3 9.8 1.0 C2A B:HEM201 4.3 10.3 1.0 C2C B:HEM201 4.3 10.7 1.0 C3A B:HEM201 4.3 9.6 1.0 ND1 B:HIS85 4.3 13.4 1.0 C3C B:HEM201 4.3 11.8 1.0 C3B B:HEM201 4.3 11.6 1.0 HG23 B:ILE81 4.3 20.0 1.0 C2D B:HEM201 4.3 12.8 1.0 C3D B:HEM201 4.3 13.8 1.0 CG B:HIS85 4.4 12.4 1.0 HHA B:HEM201 4.4 14.4 1.0 HHC B:HEM201 4.4 13.6 1.0 HHB B:HEM201 4.4 12.3 1.0 HHD B:HEM201 4.4 13.6 1.0 HG21 B:ILE81 4.4 20.0 1.0 HG22 B:ILE81 4.6 20.0 1.0 CD2 B:LEU57 4.6 13.2 1.0 HD13 B:LEU57 4.6 16.8 1.0 HG21 B:VAL90 4.7 15.1 1.0 CG2 B:ILE81 4.7 16.7 1.0 HB2 B:LEU57 4.8 12.3 1.0 CB B:LEU57 4.9 10.2 1.0 HG3 B:PRO54 4.9 22.1 1.0 HD23 B:LEU57 5.0 15.9 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