Iron in PDB 2xkh: Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant

The structure of Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant, PDB code: 2xkh was solved by A.Pesce, M.Nardini, S.Dewilde, L.Capece, M.A.Marti, S.Congia, M.D.Salter, G.C.Blouin, D.A.Estrin, P.Ascenzi, L.Moens, M.Bolognesi, J.S.Olson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	18.29 / 2.31
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	42.919, 43.011, 59.472, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 26.6

The structure of Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant also contains other interesting chemical elements:

Xenon

(Xe)

2 atoms

The binding sites of Iron atom in the Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant (pdb code 2xkh). 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 Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant, PDB code: 2xkh:

Iron binding site 1 out of 1 in the Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1110 b:18.2 occ:1.00 FE A:HEM1110 0.0 18.2 1.0 O1 A:OXY1111 1.9 35.5 1.0 NC A:HEM1110 1.9 17.5 1.0 NB A:HEM1110 2.0 20.2 1.0 ND A:HEM1110 2.1 19.4 1.0 NE2 A:HIS69 2.1 14.2 1.0 NA A:HEM1110 2.2 17.8 1.0 O2 A:OXY1111 2.5 38.1 1.0 C4B A:HEM1110 2.9 15.8 1.0 C1C A:HEM1110 2.9 13.6 1.0 C4C A:HEM1110 3.0 12.6 1.0 C1D A:HEM1110 3.0 14.2 1.0 C1B A:HEM1110 3.0 19.1 1.0 CE1 A:HIS69 3.1 13.1 1.0 CD2 A:HIS69 3.1 12.4 1.0 C4A A:HEM1110 3.2 17.8 1.0 C4D A:HEM1110 3.2 15.8 1.0 C1A A:HEM1110 3.3 18.9 1.0 CHC A:HEM1110 3.3 19.1 1.0 CHD A:HEM1110 3.4 12.5 1.0 CHB A:HEM1110 3.5 18.2 1.0 CHA A:HEM1110 3.6 17.9 1.0 C3B A:HEM1110 4.1 18.2 1.0 C2C A:HEM1110 4.2 14.6 1.0 C3C A:HEM1110 4.2 12.1 1.0 C2B A:HEM1110 4.2 19.7 1.0 ND1 A:HIS69 4.2 15.3 1.0 CG A:HIS69 4.3 14.9 1.0 C2D A:HEM1110 4.3 15.3 1.0 C3D A:HEM1110 4.4 14.2 1.0 C3A A:HEM1110 4.4 19.1 1.0 C2A A:HEM1110 4.5 21.0 1.0 NE2 A:GLN44 4.6 8.0 0.4 OH A:TYR11 4.7 19.7 1.0 CZ A:PHE79 4.8 14.9 1.0 CZ A:PHE25 4.9 12.4 1.0 CE2 A:PHE25 5.0 13.0 1.0

A.Pesce, M.Nardini, S.Dewilde, L.Capece, M.A.Marti, S.Congia, M.D.Salter, G.C.Blouin, D.A.Estrin, P.Ascenzi, L.Moens, M.Bolognesi, J.S.Olson. Ligand Migration in the Apolar Tunnel of Cerebratulus Lacteus Mini-Hemoglobin. J.Biol.Chem. V. 286 5347 2011.
ISSN: ISSN 0021-9258
PubMed: 21147768
DOI: 10.1074/JBC.M110.169045