Iron in PDB 2w6w: Crystal Structure of Recombinant Sperm Whale Myoglobin Under 1ATM of Xenon

The structure of Crystal Structure of Recombinant Sperm Whale Myoglobin Under 1ATM of Xenon, PDB code: 2w6w 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)	20.00 / 1.99
Space group	P 6
Cell size a, b, c (Å), α, β, γ (°)	90.626, 90.626, 45.505, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 20.5

The structure of Crystal Structure of Recombinant Sperm Whale Myoglobin Under 1ATM of Xenon also contains other interesting chemical elements:

Xenon

(Xe)

4 atoms

The binding sites of Iron atom in the Crystal Structure of Recombinant Sperm Whale Myoglobin Under 1ATM of Xenon (pdb code 2w6w). 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 Recombinant Sperm Whale Myoglobin Under 1ATM of Xenon, PDB code: 2w6w:

Iron binding site 1 out of 1 in the Crystal Structure of Recombinant Sperm Whale Myoglobin Under 1ATM of 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 Recombinant Sperm Whale Myoglobin Under 1ATM of Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1154 b:10.8 occ:1.00 FE A:HEM1154 0.0 10.8 1.0 ND A:HEM1154 2.1 10.0 1.0 NC A:HEM1154 2.1 9.8 1.0 NA A:HEM1154 2.1 9.6 1.0 NB A:HEM1154 2.1 9.5 1.0 NE2 A:HIS93 2.1 8.4 1.0 O A:HOH2083 2.2 10.4 1.0 C1D A:HEM1154 3.1 10.0 1.0 C4D A:HEM1154 3.1 10.0 1.0 C4C A:HEM1154 3.1 9.9 1.0 C1A A:HEM1154 3.1 9.6 1.0 CE1 A:HIS93 3.1 8.7 1.0 C1C A:HEM1154 3.1 9.8 1.0 C1B A:HEM1154 3.1 9.8 1.0 C4B A:HEM1154 3.1 9.7 1.0 C4A A:HEM1154 3.1 9.5 1.0 CD2 A:HIS93 3.1 8.4 1.0 CHD A:HEM1154 3.4 9.7 1.0 CHA A:HEM1154 3.4 9.4 1.0 CHC A:HEM1154 3.5 9.6 1.0 CHB A:HEM1154 3.5 9.4 1.0 ND1 A:HIS93 4.2 8.1 1.0 CG A:HIS93 4.3 8.6 1.0 C3D A:HEM1154 4.3 10.0 1.0 C2D A:HEM1154 4.3 9.8 1.0 C3C A:HEM1154 4.3 9.8 1.0 C2C A:HEM1154 4.3 9.7 1.0 C2A A:HEM1154 4.3 9.4 1.0 C3A A:HEM1154 4.3 9.5 1.0 C2B A:HEM1154 4.3 9.8 1.0 C3B A:HEM1154 4.3 9.7 1.0 NE2 A:HIS64 4.4 8.6 1.0 CE1 A:HIS64 4.7 8.4 1.0 CG2 A:VAL68 4.7 5.8 1.0 CD2 A:HIS97 4.9 10.4 1.0

C.Savino, A.E.Miele, F.Draghi, K.A.Johnson, G.Sciara, M.Brunori, B.Vallone. Pattern of Cavities in Globins: the Case of Human Hemoglobin. Biopolymers V. 91 1097 2009.
ISSN: ISSN 0006-3525
PubMed: 19365817
DOI: 10.1002/BIP.21201