Chlorine in PDB 8stn: Crystal Structure of Kras-G12D/G75A Mutant, Gdp-Bound

All present enzymatic activity of Crystal Structure of Kras-G12D/G75A Mutant, Gdp-Bound:
3.6.5.2;

The structure of Crystal Structure of Kras-G12D/G75A Mutant, Gdp-Bound, PDB code: 8stn was solved by T.H.Tran, S.Dharmaiah, D.K.Simanshu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	73.73 / 2.03
Space group	P 3
Cell size a, b, c (Å), α, β, γ (°)	85.133, 85.133, 41.929, 90, 90, 120
R / Rfree (%)	16 / 18.3

The structure of Crystal Structure of Kras-G12D/G75A Mutant, Gdp-Bound also contains other interesting chemical elements:

Sodium	(Na)	1 atom
Magnesium	(Mg)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Kras-G12D/G75A Mutant, Gdp-Bound (pdb code 8stn). 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 Kras-G12D/G75A Mutant, Gdp-Bound, PDB code: 8stn:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Kras-G12D/G75A Mutant, Gdp-Bound


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 Kras-G12D/G75A Mutant, Gdp-Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:57.2 occ:1.00 NZ B:LYS165 3.8 45.1 1.0 O B:HOH328 4.1 46.1 1.0 OE2 B:GLU162 4.8 45.5 1.0 CE B:LYS165 5.0 44.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Kras-G12D/G75A Mutant, Gdp-Bound


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 Kras-G12D/G75A Mutant, Gdp-Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:48.1 occ:1.00 NE B:ARG102 3.8 42.0 1.0 CG B:GLN99 4.0 38.7 0.5 NH2 B:ARG102 4.2 42.6 1.0 CZ B:ARG102 4.4 40.8 1.0 CD B:ARG102 4.5 42.9 1.0 CB B:GLN99 4.5 36.6 1.0 CD B:GLN99 4.7 40.5 0.5 CA B:GLN99 4.7 38.5 1.0 OE1 B:GLN99 4.8 39.5 0.5

M.H.Yang, T.H.Tran, B.Hunt, R.Agnor, C.W.Johnson, B.Shui, T.J.Waybright, J.A.Nowak, A.G.Stephen, D.K.Simanshu, K.M.Haigis. Allosteric Regulation of Switch-II Domain Controls Kras Oncogenicity. Cancer Res. 2023.
ISSN: ESSN 1538-7445
PubMed: 37556505
DOI: 10.1158/0008-5472.CAN-22-3210