Iron in PDB 6krf: An X-Ray Structure of Ferric F43Y/F46S Sperm Whale Myoglobin in Complex with Guaiacol

The structure of An X-Ray Structure of Ferric F43Y/F46S Sperm Whale Myoglobin in Complex with Guaiacol, PDB code: 6krf was solved by H.Yuan, Y.W.Lin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.78 / 1.86
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.794, 48.558, 78.595, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 20.5

The binding sites of Iron atom in the An X-Ray Structure of Ferric F43Y/F46S Sperm Whale Myoglobin in Complex with Guaiacol (pdb code 6krf). 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 An X-Ray Structure of Ferric F43Y/F46S Sperm Whale Myoglobin in Complex with Guaiacol, PDB code: 6krf:

Iron binding site 1 out of 1 in the An X-Ray Structure of Ferric F43Y/F46S Sperm Whale Myoglobin in Complex with Guaiacol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of An X-Ray Structure of Ferric F43Y/F46S Sperm Whale Myoglobin in Complex with Guaiacol within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:23.0 occ:1.00 FE A:HEM201 0.0 23.0 1.0 NA A:HEM201 2.1 23.8 1.0 ND A:HEM201 2.1 25.2 1.0 NC A:HEM201 2.1 26.6 1.0 NB A:HEM201 2.1 22.4 1.0 NE2 A:HIS93 2.2 20.0 1.0 O A:HOH356 2.4 28.6 1.0 C1D A:HEM201 3.0 29.5 1.0 CE1 A:HIS93 3.1 27.4 1.0 C4B A:HEM201 3.1 20.9 1.0 C4A A:HEM201 3.1 26.6 1.0 C4C A:HEM201 3.1 28.2 1.0 C1A A:HEM201 3.1 22.1 1.0 C1C A:HEM201 3.1 28.1 1.0 C4D A:HEM201 3.2 26.8 1.0 C1B A:HEM201 3.2 20.2 1.0 CD2 A:HIS93 3.3 21.6 1.0 CHD A:HEM201 3.4 36.9 1.0 CHC A:HEM201 3.4 24.9 1.0 CHB A:HEM201 3.5 20.9 1.0 CHA A:HEM201 3.5 24.8 1.0 O A:HOH398 3.9 36.7 1.0 C2D A:HEM201 4.2 29.0 1.0 ND1 A:HIS93 4.2 20.1 1.0 O A:HOH301 4.3 38.4 1.0 C3B A:HEM201 4.3 20.1 1.0 CG A:HIS93 4.4 23.4 1.0 C3D A:HEM201 4.4 27.0 1.0 C3C A:HEM201 4.4 29.4 1.0 C2A A:HEM201 4.4 23.9 1.0 C3A A:HEM201 4.4 24.6 1.0 C2C A:HEM201 4.5 24.6 1.0 C2B A:HEM201 4.5 19.7 1.0 NE2 A:HIS64 4.5 30.1 1.0 CG2 A:VAL68 4.7 18.6 1.0 CD2 A:HIS97 4.9 28.0 1.0 CE1 A:HIS64 4.9 29.3 1.0

P.Zhang, H.Yuan, J.Xu, X.J.Wang, S.Q.Gao, X.Tan, Y.W.Lin. A Catalytic Binding Site Together with A Distal Tyr in Myoglobinaffords Catalytic Efficiencies Similar to Natural Peroxidases. Acs Catalysis V. 10 891 2020.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.9B05080