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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

Protein crystallography data

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

Chlorine Binding Sites:

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 3fea

Go back to Chlorine Binding Sites List in 3fea
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 3fea

Go back to Chlorine Binding Sites List in 3fea
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

Reference:

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
Page generated: Sat Dec 12 09:41:42 2020

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