Xenon in PDB 1uvx: Heme-Ligand Tunneling on Group I Truncated Hemoglobins

The structure of Heme-Ligand Tunneling on Group I Truncated Hemoglobins, PDB code: 1uvx was solved by M.Milani, A.Pesce, Y.Ouellet, S.Dewilde, J.Friedman, P.Ascenzi, M.Guertin, M.Bolognesi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	34.499, 52.932, 66.993, 90.00, 90.00, 90.00
R / Rfree (%)	21 / 26.8

The structure of Heme-Ligand Tunneling on Group I Truncated Hemoglobins also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Xenon atom in the Heme-Ligand Tunneling on Group I Truncated Hemoglobins (pdb code 1uvx). This binding sites where shown within 5.0 Angstroms radius around Xenon atom.
In total 4 binding sites of Xenon where determined in the Heme-Ligand Tunneling on Group I Truncated Hemoglobins, PDB code: 1uvx:
Jump to Xenon binding site number: 1; 2; 3; 4;

Xenon binding site 1 out of 4 in the Heme-Ligand Tunneling on Group I Truncated Hemoglobins


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 1 of Heme-Ligand Tunneling on Group I Truncated Hemoglobins within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe1124 b:35.5 occ:1.00 NE2 A:GLN45 3.8 26.7 1.0 CMB A:HEM1122 3.9 22.5 1.0 CD2 A:LEU87 3.9 33.0 1.0 CD A:GLN45 4.0 26.1 1.0 C2B A:HEM1122 4.0 24.9 1.0 CZ A:PHE19 4.0 26.3 1.0 OE1 A:GLN45 4.1 23.9 1.0 CE2 A:PHE19 4.2 24.7 1.0 CG1 A:VAL83 4.2 31.3 1.0 C3B A:HEM1122 4.3 25.1 1.0 CAB A:HEM1122 4.4 26.0 1.0 CD2 A:LEU49 4.5 28.0 1.0 CG1 A:VAL108 4.5 24.4 1.0 CG2 A:VAL108 4.7 24.9 1.0 C1B A:HEM1122 4.7 23.0 1.0 CD1 A:LEU49 4.7 25.6 1.0 CE1 A:PHE19 4.8 22.1 1.0 CG A:GLN45 4.8 26.0 1.0 CBB A:HEM1122 4.8 29.9 1.0 XE A:XE1126 4.9 58.0 1.0 CD2 A:PHE19 5.0 23.9 1.0

Xenon binding site 2 out of 4 in the Heme-Ligand Tunneling on Group I Truncated Hemoglobins


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 2 of Heme-Ligand Tunneling on Group I Truncated Hemoglobins within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe1125 b:43.7 occ:1.00 CD1 A:LEU53 3.7 22.4 1.0 CD1 A:LEU49 3.9 25.6 1.0 CD2 A:LEU91 3.9 20.7 1.0 XE A:XE1126 4.0 58.0 1.0 CD1 A:LEU6 4.1 26.5 1.0 CB A:ALA15 4.1 29.1 1.0 CG1 A:VAL12 4.5 23.4 1.0 CD1 A:LEU87 4.5 30.1 1.0 XE A:XE1127 4.6 59.1 1.0 CD2 A:LEU87 4.7 33.0 1.0 CG2 A:VAL12 4.8 25.1 1.0 CD1 A:LEU91 4.9 19.5 1.0 CG A:LEU91 5.0 24.1 1.0 CG A:LEU53 5.0 26.6 1.0

Xenon binding site 3 out of 4 in the Heme-Ligand Tunneling on Group I Truncated Hemoglobins


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 3 of Heme-Ligand Tunneling on Group I Truncated Hemoglobins within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe1126 b:58.0 occ:1.00 CD1 A:LEU87 3.2 30.1 1.0 CD2 A:LEU87 3.4 33.0 1.0 CD1 A:LEU49 3.5 25.6 1.0 CG A:PHE19 3.8 25.8 1.0 CB A:PHE19 3.8 27.6 1.0 CG A:LEU87 3.8 28.1 1.0 O A:ALA15 3.9 30.0 1.0 CD2 A:PHE19 4.0 23.9 1.0 XE A:XE1125 4.0 43.7 1.0 C A:ALA15 4.1 29.1 1.0 CA A:VAL16 4.1 28.5 1.0 N A:VAL16 4.2 29.0 1.0 CG2 A:VAL16 4.2 29.5 1.0 CD1 A:PHE19 4.3 26.5 1.0 CB A:ALA15 4.3 29.1 1.0 CB A:LEU87 4.5 28.6 1.0 CE2 A:PHE19 4.7 24.7 1.0 CA A:ALA15 4.8 28.7 1.0 CB A:VAL16 4.9 28.3 1.0 XE A:XE1124 4.9 35.5 1.0 CE1 A:PHE19 4.9 22.1 1.0 CG A:LEU49 5.0 27.7 1.0 CA A:LEU87 5.0 28.6 1.0

Xenon binding site 4 out of 4 in the Heme-Ligand Tunneling on Group I Truncated Hemoglobins


Mono view


Stereo pair view

A full contact list of Xenon with other atoms in the Xe binding site number 4 of Heme-Ligand Tunneling on Group I Truncated Hemoglobins within 5.0Å range: probe atom residue distance (Å) B Occ A:Xe1127 b:59.1 occ:1.00 CD2 A:LEU91 3.6 20.7 1.0 O A:ALA11 3.7 29.2 1.0 CB A:ALA11 3.8 30.1 1.0 CB A:ALA15 3.9 29.1 1.0 C A:ALA11 3.9 29.1 1.0 CD2 A:LEU6 3.9 27.8 1.0 CB A:LEU6 4.0 29.6 1.0 CG2 A:VAL96 4.0 30.9 1.0 O A:LEU6 4.1 31.3 1.0 CG A:LEU6 4.3 28.7 1.0 N A:VAL12 4.4 28.0 1.0 CA A:ALA11 4.4 30.3 1.0 CD1 A:LEU6 4.5 26.5 1.0 XE A:XE1125 4.6 43.7 1.0 C A:LEU6 4.6 31.3 1.0 CA A:VAL12 4.6 27.2 1.0 CD1 A:LEU94 4.7 34.8 1.0 CA A:LEU6 4.8 30.0 1.0 CG A:LEU91 5.0 24.1 1.0

M.Milani, A.Pesce, Y.Ouellet, S.Dewilde, J.Friedman, P.Ascenzi, M.Guertin, M.Bolognesi. Heme-Ligand Tunneling in Group I Truncated Hemoglobins J.Biol.Chem. V. 279 21520 2004.
ISSN: ISSN 0021-9258
PubMed: 15016811
DOI: 10.1074/JBC.M401320200