Iron in PDB 5xkv: Structure of Sperm Whale Myoglobin F138W

The structure of Structure of Sperm Whale Myoglobin F138W, PDB code: 5xkv was solved by H.Yuan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.54 / 1.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.766, 48.441, 78.898, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 19

The binding sites of Iron atom in the Structure of Sperm Whale Myoglobin F138W (pdb code 5xkv). 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 Structure of Sperm Whale Myoglobin F138W, PDB code: 5xkv:

Iron binding site 1 out of 1 in the Structure of Sperm Whale Myoglobin F138W


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Sperm Whale Myoglobin F138W within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:9.5 occ:1.00 FE A:HEM201 0.0 9.5 1.0 NA A:HEM201 2.0 8.8 1.0 ND A:HEM201 2.0 9.4 1.0 NB A:HEM201 2.1 8.2 1.0 NC A:HEM201 2.1 9.2 1.0 O A:HOH398 2.1 9.9 1.0 NE2 A:HIS93 2.1 9.0 1.0 CE1 A:HIS93 3.0 9.2 1.0 C4D A:HEM201 3.0 9.9 1.0 C4B A:HEM201 3.0 8.0 1.0 C4C A:HEM201 3.0 8.3 1.0 C1D A:HEM201 3.1 10.0 1.0 C4A A:HEM201 3.1 8.0 1.0 C1B A:HEM201 3.1 7.4 1.0 C1A A:HEM201 3.1 8.7 1.0 C1C A:HEM201 3.1 8.6 1.0 CD2 A:HIS93 3.2 9.9 1.0 CHB A:HEM201 3.4 8.1 1.0 CHD A:HEM201 3.4 10.5 1.0 CHC A:HEM201 3.4 8.9 1.0 CHA A:HEM201 3.4 9.3 1.0 ND1 A:HIS93 4.2 10.1 1.0 C2A A:HEM201 4.2 9.2 1.0 C3A A:HEM201 4.3 9.1 1.0 C3D A:HEM201 4.3 11.2 1.0 C2B A:HEM201 4.3 7.5 1.0 C3B A:HEM201 4.3 7.6 1.0 C3C A:HEM201 4.3 9.0 1.0 C2D A:HEM201 4.3 10.8 1.0 CG A:HIS93 4.3 10.2 1.0 C2C A:HEM201 4.3 8.7 1.0 NE2 A:HIS64 4.3 10.9 1.0 CG2 A:VAL68 4.7 9.0 1.0 CE1 A:HIS64 4.8 11.8 1.0

L.L.Li, H.Yuan, F.Liao, B.He, S.Q.Gao, G.B.Wen, X.Tan, Y.W.Lin. Rational Design of Artificial Dye-Decolorizing Peroxidases Using Myoglobin By Engineering Tyr/Trp in the Heme Center Dalton Trans V. 46 11230 2017.
ISSN: ESSN 1477-9234
PubMed: 28795725
DOI: 10.1039/C7DT02302B