Chlorine in PDB 4xgo: Crystal Structure of Leucine-Rich Repeat Domain of APL1B

The structure of Crystal Structure of Leucine-Rich Repeat Domain of APL1B, PDB code: 4xgo was solved by M.Williams, B.Summers, R.H.G.Baxter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	107.18 / 1.74
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	64.423, 74.956, 214.370, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22

The structure of Crystal Structure of Leucine-Rich Repeat Domain of APL1B also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Leucine-Rich Repeat Domain of APL1B (pdb code 4xgo). 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 Leucine-Rich Repeat Domain of APL1B, PDB code: 4xgo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Leucine-Rich Repeat Domain of APL1B


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 Leucine-Rich Repeat Domain of APL1B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1011 b:54.5 occ:1.00 O A:HOH1381 2.9 48.7 1.0 O A:HOH1203 3.3 18.0 1.0 O A:HOH1337 3.5 33.2 1.0 CB A:HIS112 3.7 27.2 1.0 O A:ASP133 3.7 20.7 1.0 O A:HOH1217 3.9 23.9 1.0 CA A:GLY109 3.9 23.7 1.0 CA A:HIS112 3.9 24.9 1.0 ND1 A:HIS112 4.0 31.9 1.0 N A:HIS112 4.2 22.6 1.0 N A:GLY109 4.2 24.0 1.0 CG A:HIS112 4.3 30.3 1.0 C A:GLY109 4.6 21.7 1.0 O A:THR134 4.7 18.6 1.0 C A:ASP133 4.7 21.7 1.0 C A:PHE111 4.8 21.4 1.0 OE1 A:GLN136 5.0 43.6 1.0 O A:GLY109 5.0 22.4 1.0 CB A:GLN136 5.0 29.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Leucine-Rich Repeat Domain of APL1B


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 Leucine-Rich Repeat Domain of APL1B within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1006 b:64.8 occ:1.00 ND1 B:HIS164 3.3 22.7 1.0 O B:HOH1372 3.6 40.4 1.0 ND2 B:ASN143 3.6 22.5 1.0 CE1 B:HIS164 4.2 23.4 1.0 CG B:HIS164 4.3 22.0 1.0 O B:HOH1353 4.3 50.8 1.0 CB B:HIS164 4.4 21.0 1.0 NE2 B:GLN145 4.5 19.8 1.0 CG B:ASN143 4.7 21.5 1.0 O B:HOH1170 4.9 61.5 1.0 O B:HOH1292 4.9 25.9 1.0 O B:HOH1293 4.9 44.1 1.0 OD1 B:ASN143 4.9 22.2 1.0

M.Williams, B.J.Summers, R.H.Baxter. Biophysical Analysis of Anopheles Gambiae Leucine-Rich Repeat Proteins APL1A1, Aplb and APL1C and Their Interaction with LRIM1. Plos One V. 10 18911 2015.
ISSN: ESSN 1932-6203
PubMed: 25775123
DOI: 10.1371/JOURNAL.PONE.0118911