Iron in PDB 4qau: Crystal Structure of F43Y Mutant of Sperm Whale Myoglobin

The structure of Crystal Structure of F43Y Mutant of Sperm Whale Myoglobin, PDB code: 4qau was solved by Y.Lin, X.Tan, W.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.77 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.871, 48.400, 78.787, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 20.4

The binding sites of Iron atom in the Crystal Structure of F43Y Mutant of Sperm Whale Myoglobin (pdb code 4qau). 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 Crystal Structure of F43Y Mutant of Sperm Whale Myoglobin, PDB code: 4qau:

Iron binding site 1 out of 1 in the Crystal Structure of F43Y Mutant of Sperm Whale Myoglobin


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 F43Y Mutant of Sperm Whale Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:13.2 occ:1.00 FE A:HEM201 0.0 13.2 1.0 NA A:HEM201 2.0 14.4 1.0 NB A:HEM201 2.0 11.4 1.0 ND A:HEM201 2.0 17.1 1.0 NC A:HEM201 2.1 12.9 1.0 NE2 A:HIS93 2.3 16.4 1.0 O A:HOH448 2.3 17.8 1.0 C4D A:HEM201 3.0 15.4 1.0 C1B A:HEM201 3.0 12.5 1.0 C1D A:HEM201 3.0 16.0 1.0 C1A A:HEM201 3.1 11.7 1.0 C4A A:HEM201 3.1 12.4 1.0 C4B A:HEM201 3.1 12.8 1.0 C4C A:HEM201 3.1 14.8 1.0 C1C A:HEM201 3.1 13.5 1.0 CD2 A:HIS93 3.1 10.8 1.0 CE1 A:HIS93 3.3 10.2 1.0 CHD A:HEM201 3.4 17.2 1.0 CHB A:HEM201 3.4 11.2 1.0 CHA A:HEM201 3.4 15.7 1.0 CHC A:HEM201 3.5 13.2 1.0 O A:HOH505 3.8 20.9 1.0 C3B A:HEM201 4.3 12.7 1.0 C2B A:HEM201 4.3 11.9 1.0 C3D A:HEM201 4.3 22.3 1.0 C2D A:HEM201 4.3 17.1 1.0 C2A A:HEM201 4.3 14.0 1.0 C3C A:HEM201 4.3 17.7 1.0 C3A A:HEM201 4.3 13.2 1.0 CG A:HIS93 4.3 13.9 1.0 C2C A:HEM201 4.3 15.4 1.0 ND1 A:HIS93 4.4 18.3 1.0 NE2 A:HIS64 4.6 17.3 1.0 CG2 A:VAL68 4.7 11.9 1.0 CE1 A:HIS64 4.9 18.5 1.0

D.-J.Yan, W.Li, Y.Xiang, G.-B.Wen, Y.-W.Lin, X.Tan. A Novel Tyrosine-Heme C-O Covalent Linkage in F43Y Myoglobin: A New Post-Translational Modification of Heme Proteins Chembiochem V. 16 47 2015.
ISSN: ISSN 1439-4227
PubMed: 25392956
DOI: 10.1002/CBIC.201402504