Chlorine in PDB 4tkq: Native-Sad Phasing For Yetj From Bacillus Subtilis

The structure of Native-Sad Phasing For Yetj From Bacillus Subtilis, PDB code: 4tkq was solved by Q.Liu, Y.Chang, W.A.Hendrickson, New York Consortium On Membrane Proteinstructure (Nycomps), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.26 / 2.80
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	61.869, 61.869, 288.401, 90.00, 90.00, 120.00
R / Rfree (%)	22.1 / 26

The structure of Native-Sad Phasing For Yetj From Bacillus Subtilis also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Native-Sad Phasing For Yetj From Bacillus Subtilis (pdb code 4tkq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Native-Sad Phasing For Yetj From Bacillus Subtilis, PDB code: 4tkq:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Native-Sad Phasing For Yetj From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Native-Sad Phasing For Yetj From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:67.5 occ:1.00 N A:GLU182 3.4 71.9 1.0 CA A:THR181 3.8 51.2 1.0 CB A:THR181 3.9 52.1 1.0 CG A:GLU182 4.0 74.2 1.0 C A:THR181 4.1 50.5 1.0 CB A:GLU182 4.1 72.8 1.0 CG2 A:THR181 4.1 53.3 1.0 CD1 A:ILE12 4.2 58.6 1.0 CA A:GLU182 4.3 71.4 1.0 CG A:GLU7 4.4 78.3 1.0 CB A:GLU7 4.4 79.4 1.0 CD A:GLU182 4.5 75.7 1.0 O A:ILE180 4.8 50.8 1.0 OE1 A:GLU182 5.0 75.6 1.0 OE2 A:GLU182 5.0 77.0 1.0

Chlorine binding site 2 out of 3 in the Native-Sad Phasing For Yetj From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Native-Sad Phasing For Yetj From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:56.7 occ:1.00 N A:LYS9 3.5 74.2 1.0 CB A:SER8 3.8 63.6 1.0 CG A:LYS9 4.0 73.3 1.0 CA A:SER8 4.0 61.4 1.0 CD A:LYS9 4.1 75.3 1.0 CB A:LYS9 4.2 72.0 1.0 C A:SER8 4.2 57.8 1.0 CA A:LYS9 4.5 71.0 1.0 OG A:SER8 5.0 61.7 1.0

Chlorine binding site 3 out of 3 in the Native-Sad Phasing For Yetj From Bacillus Subtilis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Native-Sad Phasing For Yetj From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl304 b:59.9 occ:0.80 N A:GLY66 3.5 57.8 1.0 CA A:VAL65 4.0 60.1 1.0 CB A:PHE69 4.2 41.0 1.0 C A:VAL65 4.2 58.6 1.0 CB A:VAL65 4.2 56.4 1.0 CA A:GLY66 4.4 56.5 1.0 CG1 A:VAL65 4.7 58.0 1.0 CG A:PHE69 4.8 40.5 1.0 O A:ALA64 4.9 68.8 1.0

Q.Liu, Y.Guo, Y.Chang, Z.Cai, Z.Assur, F.Mancia, M.I.Greene, W.A.Hendrickson. Multi-Crystal Native Sad Analysis at 6 Kev. Acta Crystallogr.,Sect.D V. 70 2544 2014.
ISSN: ESSN 1399-0047
PubMed: 25286840
DOI: 10.1107/S1399004714013376