Iron in PDB 2w6x: Crystal Structure of Sperm Whale Myoglobin Mutant Yqrf in Complex with Xenon

The structure of Crystal Structure of Sperm Whale Myoglobin Mutant Yqrf in Complex with Xenon, PDB code: 2w6x was solved by A.E.Miele, F.Draghi, F.Renzi, G.Sciara, K.A.Johnson, B.Vallone, M.Brunori, C.Savino, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.75 / 1.73
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.781, 90.781, 45.279, 90.00, 90.00, 120.00
R / Rfree (%)	15.9 / 19.5

The structure of Crystal Structure of Sperm Whale Myoglobin Mutant Yqrf in Complex with Xenon also contains other interesting chemical elements:

Xenon

(Xe)

3 atoms

The binding sites of Iron atom in the Crystal Structure of Sperm Whale Myoglobin Mutant Yqrf in Complex with Xenon (pdb code 2w6x). 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 Crystal Structure of Sperm Whale Myoglobin Mutant Yqrf in Complex with Xenon, PDB code: 2w6x:

Iron binding site 1 out of 1 in the Crystal Structure of Sperm Whale Myoglobin Mutant Yqrf in Complex with Xenon


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Sperm Whale Myoglobin Mutant Yqrf in Complex with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1154 b:10.3 occ:1.00 FE A:HEM1154 0.0 10.3 1.0 NC A:HEM1154 2.0 9.7 1.0 NB A:HEM1154 2.0 10.4 1.0 ND A:HEM1154 2.1 9.8 1.0 NA A:HEM1154 2.1 10.1 1.0 NE2 A:HIS93 2.1 8.0 1.0 O A:HOH2057 2.3 19.4 1.0 C4B A:HEM1154 3.1 10.9 1.0 C1A A:HEM1154 3.1 10.4 1.0 C4C A:HEM1154 3.1 9.7 1.0 C1C A:HEM1154 3.1 10.0 1.0 C1D A:HEM1154 3.1 10.3 1.0 C4D A:HEM1154 3.1 10.5 1.0 C1B A:HEM1154 3.1 11.2 1.0 CE1 A:HIS93 3.1 9.7 1.0 CD2 A:HIS93 3.1 8.6 1.0 C4A A:HEM1154 3.1 10.7 1.0 CHC A:HEM1154 3.4 11.0 1.0 CHA A:HEM1154 3.4 10.3 1.0 CHD A:HEM1154 3.4 11.2 1.0 CHB A:HEM1154 3.5 11.0 1.0 ND1 A:HIS93 4.2 9.3 1.0 CG A:HIS93 4.3 9.0 1.0 C3B A:HEM1154 4.3 12.4 1.0 C2C A:HEM1154 4.3 9.7 1.0 C3C A:HEM1154 4.3 10.1 1.0 C2A A:HEM1154 4.3 10.5 1.0 C2B A:HEM1154 4.3 11.6 1.0 C2D A:HEM1154 4.3 10.3 1.0 C3D A:HEM1154 4.3 9.9 1.0 C3A A:HEM1154 4.3 10.9 1.0 NE2 A:GLN64 4.5 22.5 1.0 CG2 A:VAL68 4.5 11.1 1.0 O A:HOH2056 4.8 24.4 1.0

A.E.Miele, F.Draghi, K.A.Johnson, F.Renzi, G.Sciara, M.Brunori, B.Vallone, C.Savino. When the Same Fold Does Not Mean the Same Function: the Case of Xenon Cavities in Hemoglobin and Myoglobin To Be Published.