Sodium in PDB 4z7g: Crystal Structure of Human IRE1 Cytoplasmic Kinase-Rnase Region - Apo

All present enzymatic activity of Crystal Structure of Human IRE1 Cytoplasmic Kinase-Rnase Region - Apo:
2.7.11.1;

The structure of Crystal Structure of Human IRE1 Cytoplasmic Kinase-Rnase Region - Apo, PDB code: 4z7g was solved by R.Bayliss, A.Joshi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	85.33 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	79.401, 78.971, 86.045, 90.00, 97.41, 90.00
R / Rfree (%)	20.3 / 22.6

The binding sites of Sodium atom in the Crystal Structure of Human IRE1 Cytoplasmic Kinase-Rnase Region - Apo (pdb code 4z7g). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 2 binding sites of Sodium where determined in the Crystal Structure of Human IRE1 Cytoplasmic Kinase-Rnase Region - Apo, PDB code: 4z7g:
Jump to Sodium binding site number: 1; 2;

Sodium binding site 1 out of 2 in the Crystal Structure of Human IRE1 Cytoplasmic Kinase-Rnase Region - Apo


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Crystal Structure of Human IRE1 Cytoplasmic Kinase-Rnase Region - Apo within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1001 b:57.4 occ:1.00 O A:HIS622 2.3 52.9 1.0 O A:ASP620 2.3 52.9 1.0 O A:VAL625 2.4 55.9 1.0 C A:ASP620 3.5 56.5 1.0 C A:HIS622 3.5 52.4 1.0 C A:VAL625 3.6 56.9 1.0 CA A:PRO623 4.0 46.7 1.0 N A:ARG627 4.1 55.5 1.0 C A:ILE626 4.1 60.0 1.0 C A:PRO623 4.2 53.6 1.0 N A:PRO623 4.2 46.8 1.0 N A:VAL625 4.2 51.5 1.0 C A:GLU621 4.3 59.1 1.0 CA A:ASP620 4.3 52.6 1.0 N A:HIS622 4.3 52.3 1.0 CA A:ARG627 4.3 55.2 1.0 O A:ILE626 4.3 59.6 1.0 O A:GLU621 4.3 61.4 1.0 O A:PRO623 4.4 55.5 1.0 CB A:ARG627 4.4 54.9 1.0 CA A:VAL625 4.5 51.2 1.0 N A:GLU621 4.5 55.5 1.0 N A:ILE626 4.5 56.4 1.0 CA A:HIS622 4.5 49.7 1.0 CA A:ILE626 4.6 56.7 1.0 CA A:GLU621 4.7 55.6 1.0 CB A:ASP620 4.7 55.1 1.0 N A:ASN624 4.7 49.1 1.0 OE1 A:GLU643 4.7 74.6 1.0 OE2 B:GLU621 4.8 80.6 1.0 CB A:VAL625 4.9 54.2 1.0 CG A:ARG627 4.9 55.8 1.0

Sodium binding site 2 out of 2 in the Crystal Structure of Human IRE1 Cytoplasmic Kinase-Rnase Region - Apo


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Crystal Structure of Human IRE1 Cytoplasmic Kinase-Rnase Region - Apo within 5.0Å range: probe atom residue distance (Å) B Occ B:Na1001 b:55.2 occ:1.00 O B:HIS622 2.3 51.5 1.0 O B:VAL625 2.3 52.4 1.0 O B:ASP620 2.3 57.8 1.0 C B:HIS622 3.5 51.5 1.0 C B:ASP620 3.5 59.6 1.0 C B:VAL625 3.6 54.1 1.0 CA B:PRO623 4.0 46.0 1.0 N B:ARG627 4.1 53.1 1.0 C B:ILE626 4.2 56.6 1.0 C B:PRO623 4.2 52.2 1.0 N B:PRO623 4.2 46.2 1.0 N B:VAL625 4.2 47.4 1.0 C B:GLU621 4.2 56.5 1.0 CA B:ASP620 4.3 55.6 1.0 N B:HIS622 4.3 50.5 1.0 O B:GLU621 4.3 57.6 1.0 O B:ILE626 4.3 55.7 1.0 CA B:ARG627 4.3 53.2 1.0 O B:PRO623 4.4 54.3 1.0 CA B:VAL625 4.4 47.7 1.0 CB B:ARG627 4.5 51.7 1.0 N B:GLU621 4.5 56.4 1.0 CA B:HIS622 4.5 48.0 1.0 N B:ILE626 4.5 54.9 1.0 CA B:GLU621 4.6 55.9 1.0 N B:ASN624 4.7 47.2 1.0 CB B:ASP620 4.7 58.1 1.0 CA B:ILE626 4.7 55.1 1.0 OE1 B:GLU643 4.8 65.9 1.0 OE2 A:GLU621 4.8 67.8 1.0 CB B:VAL625 4.8 50.3 1.0 CG B:ARG627 4.9 51.3 1.0

A.Joshi, Y.Newbatt, P.C.Mcandrew, M.Stubbs, R.Burke, M.W.Richards, C.Bhatia, J.J.Caldwell, T.Mchardy, I.Collins, R.Bayliss. Molecular Mechanisms of Human IRE1 Activation Through Dimerization and Ligand Binding. Oncotarget 2015.
ISSN: ISSN 1949-2553
PubMed: 25968568