Magnesium in PDB 4jne: Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp

The structure of Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp, PDB code: 4jne was solved by R.Qi, E.B.Sarbeng, Q.Liu, K.Q.Le, X.Xu, H.Xu, J.Yang, J.L.Wong, C.Vorvis, W.A.Hendrickson, L.Zhou, Q.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.97 / 1.96
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	290.678, 290.678, 99.317, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 20.1

The binding sites of Magnesium atom in the Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp (pdb code 4jne). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp, PDB code: 4jne:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1001 b:18.7 occ:1.00 O3G A:ATP1002 2.1 16.6 1.0 O1B A:ATP1002 2.1 14.6 1.0 O A:HOH1520 2.2 12.9 1.0 O A:HOH1101 2.2 12.8 1.0 O A:HOH1104 2.2 13.5 1.0 O A:HOH1102 2.3 14.7 1.0 PG A:ATP1002 3.4 15.0 1.0 PB A:ATP1002 3.4 11.8 1.0 O3B A:ATP1002 3.7 15.5 1.0 O A:HOH1109 3.9 15.8 1.0 OE1 A:GLU171 3.9 15.7 1.0 O A:HOH1106 4.0 15.1 1.0 O A:HOH1121 4.0 17.1 1.0 O1G A:ATP1002 4.1 17.0 1.0 OD1 A:ASP194 4.2 15.9 1.0 OD2 A:ASP194 4.2 19.0 1.0 O3A A:ATP1002 4.2 14.3 1.0 OD1 A:ASP8 4.2 14.2 1.0 O2A A:ATP1002 4.3 17.5 1.0 OD2 A:ASP8 4.3 17.3 1.0 CD A:GLU171 4.4 17.6 1.0 O2G A:ATP1002 4.5 16.2 1.0 O2B A:ATP1002 4.6 12.8 1.0 CG A:ASP194 4.6 18.5 1.0 OE2 A:GLU171 4.7 17.6 1.0 CG A:ASP8 4.7 17.8 1.0 PA A:ATP1002 4.8 15.1 1.0 NZ A:LYS70 4.9 13.2 1.0 CA A:GLY196 4.9 19.4 1.0 CA A:GLY10 5.0 15.1 1.0 O A:HOH1174 5.0 20.5 1.0

Magnesium binding site 2 out of 2 in the Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1001 b:18.4 occ:1.00 O3G B:ATP1002 2.1 15.1 1.0 O1B B:ATP1002 2.1 14.4 1.0 O B:HOH1491 2.2 9.6 1.0 O B:HOH1376 2.2 9.7 1.0 O B:HOH1101 2.3 11.5 1.0 O B:HOH1102 2.3 9.4 1.0 PB B:ATP1002 3.3 13.1 1.0 PG B:ATP1002 3.4 12.6 1.0 O3B B:ATP1002 3.6 13.9 1.0 O B:HOH1109 3.9 11.7 1.0 O B:HOH1111 3.9 13.6 1.0 O B:HOH1121 4.0 16.8 1.0 OE1 B:GLU171 4.0 15.2 1.0 O1G B:ATP1002 4.1 15.1 1.0 O3A B:ATP1002 4.2 14.4 1.0 OD1 B:ASP194 4.2 14.3 1.0 OD2 B:ASP194 4.2 17.7 1.0 OD2 B:ASP8 4.2 15.8 1.0 OD1 B:ASP8 4.2 13.2 1.0 O2A B:ATP1002 4.2 15.5 1.0 CD B:GLU171 4.4 14.9 1.0 O2G B:ATP1002 4.5 10.7 1.0 O2B B:ATP1002 4.5 11.3 1.0 CG B:ASP194 4.6 11.0 1.0 CG B:ASP8 4.7 14.9 1.0 OE2 B:GLU171 4.7 17.6 1.0 PA B:ATP1002 4.8 13.8 1.0 CA B:GLY10 4.8 11.4 1.0 NZ B:LYS70 4.9 9.3 1.0 CA B:GLY196 5.0 17.0 1.0

R.Qi, E.B.Sarbeng, Q.Liu, K.Q.Le, X.Xu, H.Xu, J.Yang, J.L.Wong, C.Vorvis, W.A.Hendrickson, L.Zhou, Q.Liu. Allosteric Opening of the Polypeptide-Binding Site When An HSP70 Binds Atp. Nat.Struct.Mol.Biol. V. 20 900 2013.
ISSN: ISSN 1545-9993
PubMed: 23708608
DOI: 10.1038/NSMB.2583