Iron in PDB 4nxa: Sperm Whale Myoglobin Under Xenon Pressure 30 Bar

The structure of Sperm Whale Myoglobin Under Xenon Pressure 30 Bar, PDB code: 4nxa was solved by N.Colloc'h, T.Prange, B.Vallone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	35.370, 30.717, 63.583, 90.00, 104.48, 90.00
R / Rfree (%)	18.5 / 20.2

The structure of Sperm Whale Myoglobin Under Xenon Pressure 30 Bar also contains other interesting chemical elements:

Xenon	(Xe)	5 atoms
Zinc	(Zn)	2 atoms

The binding sites of Iron atom in the Sperm Whale Myoglobin Under Xenon Pressure 30 Bar (pdb code 4nxa). 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 Sperm Whale Myoglobin Under Xenon Pressure 30 Bar, PDB code: 4nxa:

Iron binding site 1 out of 1 in the Sperm Whale Myoglobin Under Xenon Pressure 30 Bar


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Sperm Whale Myoglobin Under Xenon Pressure 30 Bar within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe201 b:13.9 occ:1.00 FE A:HEM201 0.0 13.9 1.0 NA A:HEM201 2.0 14.1 1.0 NC A:HEM201 2.0 13.4 1.0 ND A:HEM201 2.1 14.2 1.0 NB A:HEM201 2.1 13.5 1.0 NE2 A:HIS93 2.1 13.7 1.0 O A:HOH317 2.3 14.8 1.0 C4C A:HEM201 3.0 13.8 1.0 C4A A:HEM201 3.1 13.9 1.0 C1A A:HEM201 3.1 15.0 1.0 CE1 A:HIS93 3.1 15.3 1.0 C1D A:HEM201 3.1 14.3 1.0 C1B A:HEM201 3.1 13.2 1.0 C1C A:HEM201 3.1 13.5 1.0 C4B A:HEM201 3.1 13.0 1.0 C4D A:HEM201 3.1 14.2 1.0 CD2 A:HIS93 3.1 14.4 1.0 CHD A:HEM201 3.4 14.1 1.0 CHB A:HEM201 3.5 13.9 1.0 CHA A:HEM201 3.5 14.7 1.0 CHC A:HEM201 3.5 13.1 1.0 ND1 A:HIS93 4.2 15.7 1.0 CG A:HIS93 4.3 14.5 1.0 C3C A:HEM201 4.3 13.7 1.0 C2A A:HEM201 4.3 15.6 1.0 C3A A:HEM201 4.3 15.6 1.0 C2C A:HEM201 4.4 13.6 1.0 C2D A:HEM201 4.4 15.4 1.0 C3D A:HEM201 4.4 15.5 1.0 C3B A:HEM201 4.4 13.7 1.0 C2B A:HEM201 4.4 13.4 1.0 NE2 A:HIS64 4.5 17.6 1.0 CG2 A:VAL68 4.8 14.4 1.0

J.H.Abraini, G.Marassio, H.N.David, B.Vallone, T.Prange, N.Colloc'h. Crystallographic Studies with Xenon and Nitrous Oxide Provide Evidence For Protein-Dependent Processes in the Mechanisms of General Anesthesia Anesthesiology 2014.
ISSN: ESSN 1528-1175
PubMed: 25211169
DOI: 10.1097/ALN.0000000000000435