Iron in PDB 4it8: A Sperm Whale Myoglobin Mutant L29H Mb with Two Distal Histidines

The structure of A Sperm Whale Myoglobin Mutant L29H Mb with Two Distal Histidines, PDB code: 4it8 was solved by Y.-W.Lin, X.-S.Tan, W.Li, M.-H.Sun, G.-B.Wen, J.-H.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.61 / 1.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.899, 48.433, 78.923, 90.00, 90.00, 90.00
R / Rfree (%)	17.2 / 18.7

The binding sites of Iron atom in the A Sperm Whale Myoglobin Mutant L29H Mb with Two Distal Histidines (pdb code 4it8). 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 A Sperm Whale Myoglobin Mutant L29H Mb with Two Distal Histidines, PDB code: 4it8:

Iron binding site 1 out of 1 in the A Sperm Whale Myoglobin Mutant L29H Mb with Two Distal Histidines


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of A Sperm Whale Myoglobin Mutant L29H Mb with Two Distal Histidines within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:5.7 occ:1.00 FE A:HEM201 0.0 5.7 1.0 O A:HOH301 2.0 6.5 1.0 NA A:HEM201 2.0 6.1 1.0 NB A:HEM201 2.1 4.3 1.0 NC A:HEM201 2.1 5.5 1.0 ND A:HEM201 2.1 8.6 1.0 NE2 A:HIS93 2.1 5.5 1.0 C4A A:HEM201 3.0 6.2 1.0 CE1 A:HIS93 3.1 6.8 1.0 C1A A:HEM201 3.1 6.3 1.0 C1B A:HEM201 3.1 4.2 1.0 C4C A:HEM201 3.1 6.0 1.0 C1C A:HEM201 3.1 5.1 1.0 C4B A:HEM201 3.1 4.3 1.0 C1D A:HEM201 3.1 6.1 1.0 C4D A:HEM201 3.1 6.3 1.0 CD2 A:HIS93 3.2 7.0 1.0 CHB A:HEM201 3.4 6.0 1.0 CHD A:HEM201 3.4 5.3 1.0 CHA A:HEM201 3.4 6.5 1.0 CHC A:HEM201 3.5 5.5 1.0 O A:HOH304 4.1 9.1 1.0 ND1 A:HIS93 4.2 7.0 1.0 C3A A:HEM201 4.3 7.0 1.0 C2A A:HEM201 4.3 9.0 1.0 C3C A:HEM201 4.3 5.7 1.0 C2C A:HEM201 4.3 5.9 1.0 C2B A:HEM201 4.3 5.7 1.0 CG A:HIS93 4.3 6.5 1.0 C3B A:HEM201 4.3 7.6 1.0 C2D A:HEM201 4.3 7.5 1.0 C3D A:HEM201 4.3 7.6 1.0 NE2 A:HIS64 4.4 7.5 1.0 CG2 A:VAL68 4.6 7.5 1.0 CE1 A:HIS64 4.8 9.8 1.0

M.-H.Sun, W.Li, J.-H.Liu, G.-B.Wen, X.-S.Tan, Y.-W.Lin. Structural and Nitrite Reductase Activity Comparisons of Myoglobins with One to Three Distal Histidines. Rsc Adv 2013.
ISSN: ESSN 2046-2069
DOI: 10.1039/C3RA40839F