Iron in PDB 5b84: X-Ray Crystal Structure of Met I107Y Sperm Whale Myoglobin

The structure of X-Ray Crystal Structure of Met I107Y Sperm Whale Myoglobin, PDB code: 5b84 was solved by H.Yuan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.57 / 1.61
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.911, 48.560, 78.184, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 19.4

The binding sites of Iron atom in the X-Ray Crystal Structure of Met I107Y Sperm Whale Myoglobin (pdb code 5b84). 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 X-Ray Crystal Structure of Met I107Y Sperm Whale Myoglobin, PDB code: 5b84:

Iron binding site 1 out of 1 in the X-Ray Crystal Structure of Met I107Y 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 X-Ray Crystal Structure of Met I107Y Sperm Whale Myoglobin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:20.2 occ:1.00 FE A:HEM201 0.0 20.2 1.0 ND A:HEM201 1.9 21.9 1.0 NA A:HEM201 2.0 21.1 1.0 NB A:HEM201 2.0 19.8 1.0 NC A:HEM201 2.1 20.2 1.0 NE2 A:HIS93 2.2 16.7 1.0 O A:HOH390 2.2 19.0 1.0 C4D A:HEM201 3.0 18.7 1.0 C1D A:HEM201 3.0 20.0 1.0 C4B A:HEM201 3.0 19.6 1.0 C1B A:HEM201 3.0 18.9 1.0 C4A A:HEM201 3.0 17.3 1.0 C4C A:HEM201 3.1 18.6 1.0 C1A A:HEM201 3.1 17.0 1.0 CE1 A:HIS93 3.1 20.3 1.0 C1C A:HEM201 3.1 19.0 1.0 CD2 A:HIS93 3.2 21.1 1.0 CHB A:HEM201 3.4 17.1 1.0 CHD A:HEM201 3.4 19.3 1.0 CHC A:HEM201 3.4 20.4 1.0 CHA A:HEM201 3.4 18.3 1.0 O A:HOH435 3.9 33.0 1.0 ND1 A:HIS93 4.2 20.9 1.0 C2D A:HEM201 4.2 20.1 1.0 C2B A:HEM201 4.2 18.3 1.0 C3A A:HEM201 4.2 18.2 1.0 C3D A:HEM201 4.3 20.3 1.0 C2A A:HEM201 4.3 18.4 1.0 CG A:HIS93 4.3 20.1 1.0 C3C A:HEM201 4.3 18.2 1.0 C3B A:HEM201 4.3 20.5 1.0 C2C A:HEM201 4.3 19.0 1.0 NE2 A:HIS64 4.6 22.8 1.0 CG2 A:VAL68 4.7 20.0 1.0 CE1 A:HIS64 4.8 22.1 1.0 CD2 A:HIS97 4.9 23.5 1.0

F.Liao, H.Yuan, K.J.Du, Y.You, S.Q.Gao, G.B.Wen, Y.W.Lin, X.Tan. Distinct Roles of A Tyrosine-Associated Hydrogen-Bond Network in Fine-Tuning the Structure and Function of Heme Proteins: Two Cases Designed For Myoglobin Mol Biosyst V. 12 3139 2016.
ISSN: ESSN 1742-2051
PubMed: 27476534
DOI: 10.1039/C6MB00537C