Chlorine in PDB 7w06: Itaconate Inducible Lysr-Type Transcriptional Regulator (Itcr) in Complex with Itaconate (Semet Labeled), Space Group C121.

The structure of Itaconate Inducible Lysr-Type Transcriptional Regulator (Itcr) in Complex with Itaconate (Semet Labeled), Space Group C121., PDB code: 7w06 was solved by P.K.Sun, B.Wang, Z.X.Wang, S.Qi, X.J.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.98 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	86.766, 52.369, 49.079, 90, 123.14, 90
R / Rfree (%)	17.6 / 19.5

The binding sites of Chlorine atom in the Itaconate Inducible Lysr-Type Transcriptional Regulator (Itcr) in Complex with Itaconate (Semet Labeled), Space Group C121. (pdb code 7w06). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Itaconate Inducible Lysr-Type Transcriptional Regulator (Itcr) in Complex with Itaconate (Semet Labeled), Space Group C121., PDB code: 7w06:

Chlorine binding site 1 out of 1 in the Itaconate Inducible Lysr-Type Transcriptional Regulator (Itcr) in Complex with Itaconate (Semet Labeled), Space Group C121.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Itaconate Inducible Lysr-Type Transcriptional Regulator (Itcr) in Complex with Itaconate (Semet Labeled), Space Group C121. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:33.7 occ:1.00 ND1 A:HIS158 3.5 17.5 1.0 O A:HOH486 3.7 18.7 1.0 NH1 A:ARG276 3.7 20.6 1.0 CE1 A:HIS158 4.0 15.2 1.0 NH2 A:ARG276 4.0 25.5 1.0 CZ A:ARG276 4.3 21.7 1.0 CG A:HIS158 4.8 13.9 1.0

P.Sun, Z.Zhang, B.Wang, C.Liu, C.Chen, P.Liu, X.Li. A Genetically Encoded Fluorescent Biosensor For Detecting Itaconate with Subcellular Resolution in Living Macrophages. Nat Commun V. 13 6562 2022.
ISSN: ESSN 2041-1723
PubMed: 36333306
DOI: 10.1038/S41467-022-34306-5