Xenon 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:

Iron

(Fe)

1 atom

The binding sites of Xenon 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 Xenon atom.
In total 2 binding sites of Xenon where determined in the Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant, PDB code: 2xkh:
Jump to Xenon binding site number: 1; 2;

Xenon binding site 1 out of 2 in the Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe 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:Xe1113 b:35.5 occ:0.65 CBB A:HEM1110 3.8 21.3 1.0 CG A:PHE10 3.8 10.8 1.0 CD1 A:ILE52 3.9 9.6 1.0 CD1 A:PHE10 3.9 10.9 1.0 CD2 A:PHE10 3.9 10.7 1.0 CD1 A:LEU98 4.0 16.6 1.0 CE1 A:PHE10 4.0 9.9 1.0 CE2 A:PHE10 4.0 10.5 1.0 CZ A:PHE10 4.1 10.4 1.0 CB A:ALA86 4.1 17.3 1.0 CG2 A:THR48 4.3 9.0 1.0 CB A:PHE10 4.5 10.6 1.0 CAB A:HEM1110 4.6 19.1 1.0 CG1 A:ILE52 4.6 11.2 1.0 CMB A:HEM1110 4.7 18.7 1.0 XE A:XE1114 4.9 22.3 0.7 CG2 A:VAL7 5.0 13.9 1.0

Xenon binding site 2 out of 2 in the Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of Xe Derivative of C.Lacteus Mini-Hb LEU86ALA Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe1114 b:22.3 occ:0.65 CB A:ALA101 3.7 15.8 1.0 CMB A:HEM1110 4.0 18.7 1.0 CD2 A:TYR51 4.0 10.6 1.0 CE2 A:TYR51 4.1 10.4 1.0 CG1 A:ILE102 4.1 16.4 1.0 CG1 A:ILE52 4.1 11.2 1.0 CBB A:HEM1110 4.3 21.3 1.0 CD2 A:LEU98 4.3 13.4 1.0 CB A:LEU98 4.3 17.2 1.0 N A:ILE102 4.5 16.2 1.0 CD1 A:ILE105 4.5 18.0 1.0 C A:ALA101 4.5 16.6 1.0 CG A:LEU98 4.6 17.0 1.0 CD1 A:LEU98 4.7 16.6 1.0 O A:LEU98 4.8 19.8 1.0 CA A:ALA101 4.8 16.7 1.0 O A:ALA101 4.8 16.5 1.0 CA A:ILE52 4.9 11.6 1.0 CB A:ALA55 4.9 13.1 1.0 CD1 A:ILE102 4.9 13.3 1.0 XE A:XE1113 4.9 35.5 0.7 CA A:ILE102 4.9 16.3 1.0 O A:HOH2032 5.0 9.8 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