Chlorine in PDB 4u00: Crystal Structure of TTHA1159 in Complex with Adp

The structure of Crystal Structure of TTHA1159 in Complex with Adp, PDB code: 4u00 was solved by S.Karthiga Devi, V.P.R.Chichili, D.Velmurugan, J.Sivaraman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.97 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	32.107, 81.370, 49.338, 90.00, 104.48, 90.00
R / Rfree (%)	18.7 / 23.1

The structure of Crystal Structure of TTHA1159 in Complex with Adp also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of TTHA1159 in Complex with Adp (pdb code 4u00). 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 Crystal Structure of TTHA1159 in Complex with Adp, PDB code: 4u00:

Chlorine binding site 1 out of 1 in the Crystal Structure of TTHA1159 in Complex with Adp


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 TTHA1159 in Complex with Adp within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:21.2 occ:1.00 OG1 A:THR166 2.9 18.9 1.0 O A:HOH458 3.1 21.6 1.0 OG1 A:THR195 3.1 18.0 1.0 N A:THR166 3.3 20.9 1.0 CD A:PRO165 3.5 17.0 1.0 N A:PRO165 3.6 15.7 1.0 CB A:THR166 3.7 23.1 1.0 CG2 A:THR166 3.7 18.2 1.0 C A:GLU164 3.7 18.7 1.0 CA A:GLU164 3.8 16.6 1.0 CG A:PRO165 3.8 18.1 1.0 CB A:THR195 3.9 18.6 1.0 CA A:THR166 3.9 23.8 1.0 C A:PRO165 4.3 21.4 1.0 O A:VAL194 4.4 17.1 1.0 CD2 A:LEU178 4.4 17.6 1.0 CA A:THR195 4.4 19.8 1.0 O A:GLU164 4.4 20.0 1.0 CA A:PRO165 4.4 22.1 1.0 N A:SER167 4.5 18.9 1.0 C A:THR166 4.6 25.7 1.0 CG A:GLU197 4.6 20.6 1.0 CB A:GLU164 4.6 19.9 1.0 N A:GLU164 4.8 14.2 1.0 CB A:PRO165 4.8 18.1 1.0 OG A:SER167 4.8 30.1 1.0

S.Karthiga Devi, V.P.R.Chichili, J.Jeyakanthan, D.Velmurugan, J.Sivaraman. Structural Basis For the Hydrolysis of Atp By A Nucleotide Binding Subunit of An Amino Acid Abc Transporter From Thermus Thermophilus J.Struct.Biol. 2015.
ISSN: ESSN 1095-8657
PubMed: 25916755
DOI: 10.1016/J.JSB.2015.04.012