Chlorine in PDB 3fea: Crystal Structure of Hdmx Bound to the P53-Peptidomimetic Ac-Phe-Met- Aib-Pmp-6-Cl-Trp-Glu-AC3C-Leu-NH2 at 1.33A

The structure of Crystal Structure of Hdmx Bound to the P53-Peptidomimetic Ac-Phe-Met- Aib-Pmp-6-Cl-Trp-Glu-AC3C-Leu-NH2 at 1.33A, PDB code: 3fea was solved by J.Kallen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.33
Space group	P 41
Cell size a, b, c (Å), α, β, γ (°)	42.249, 42.249, 70.449, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 20.6

The binding sites of Chlorine atom in the Crystal Structure of Hdmx Bound to the P53-Peptidomimetic Ac-Phe-Met- Aib-Pmp-6-Cl-Trp-Glu-AC3C-Leu-NH2 at 1.33A (pdb code 3fea). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Hdmx Bound to the P53-Peptidomimetic Ac-Phe-Met- Aib-Pmp-6-Cl-Trp-Glu-AC3C-Leu-NH2 at 1.33A, PDB code: 3fea:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Hdmx Bound to the P53-Peptidomimetic Ac-Phe-Met- Aib-Pmp-6-Cl-Trp-Glu-AC3C-Leu-NH2 at 1.33A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hdmx Bound to the P53-Peptidomimetic Ac-Phe-Met- Aib-Pmp-6-Cl-Trp-Glu-AC3C-Leu-NH2 at 1.33A within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl6 b:17.9 occ:1.00 CLL L:6CW6 0.0 17.9 1.0 CH2 L:6CW6 1.7 13.0 1.0 CZ2 L:6CW6 2.7 12.3 1.0 CZ3 L:6CW6 2.7 13.5 1.0 CD2 A:LEU98 3.7 26.1 1.0 CD1 A:LEU98 3.7 24.7 1.0 CD1 A:ILE60 3.8 12.3 1.0 CB A:LEU56 3.9 11.1 1.0 CE3 L:6CW6 3.9 12.7 1.0 CE2 L:6CW6 4.0 11.4 1.0 CZ A:PHE90 4.2 18.9 1.0 CG A:LEU98 4.3 22.3 1.0 CD1 A:LEU56 4.3 14.6 1.0 CD2 L:6CW6 4.4 12.0 1.0 CE1 A:PHE90 4.5 19.1 1.0 CG A:LEU56 4.6 11.5 1.0 CE A:MET53 4.7 24.5 1.0 CD1 L:LEU9 4.7 20.1 1.0 C A:LEU56 4.8 10.1 1.0 CB A:LEU98 4.9 17.7 1.0 CA A:LEU56 5.0 10.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Hdmx Bound to the P53-Peptidomimetic Ac-Phe-Met- Aib-Pmp-6-Cl-Trp-Glu-AC3C-Leu-NH2 at 1.33A


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hdmx Bound to the P53-Peptidomimetic Ac-Phe-Met- Aib-Pmp-6-Cl-Trp-Glu-AC3C-Leu-NH2 at 1.33A within 5.0Å range: probe atom residue distance (Å) B Occ M:Cl6 b:34.2 occ:1.00 CLL M:6CW6 0.0 34.2 1.0 CH2 M:6CW6 1.7 28.6 1.0 CZ3 M:6CW6 2.7 27.9 1.0 CZ2 M:6CW6 2.7 28.2 1.0 O M:HOH52 3.6 35.2 1.0 CG1 A:VAL49 3.7 17.7 1.0 CE2 M:6CW6 4.0 27.9 1.0 CE3 M:6CW6 4.0 26.8 1.0 O L:HOH48 4.2 34.5 1.0 CB A:VAL49 4.3 15.2 1.0 CD2 M:6CW6 4.5 27.8 1.0 C5 A:MPD1 4.5 35.4 1.0 O A:HOH11 4.6 21.6 1.0 N A:LYS50 4.8 14.8 1.0 C1 A:MPD1 4.9 32.2 1.0 C A:VAL49 5.0 14.7 1.0

J.Kallen, A.Goepfert, A.Blechschmidt, A.Izaac, M.Geiser, G.Tavares, P.Ramage, P.Furet, K.Masuya, J.Lisztwan. Crystal Structures of Human Mdmx (Hdmx) in Complex with P53 Peptide Analogues Reveal Surprising Conformational Changes J.Biol.Chem. V. 284 8812 2009.
ISSN: ISSN 0021-9258
PubMed: 19153082
DOI: 10.1074/JBC.M809096200