Chlorine in PDB 5e75: Crystal Structure of BACOVA_02651

The structure of Crystal Structure of BACOVA_02651, PDB code: 5e75 was solved by N.M.Koropatkin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.48 / 1.36
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.800, 81.410, 57.680, 90.00, 107.85, 90.00
R / Rfree (%)	14.7 / 17.4

The structure of Crystal Structure of BACOVA_02651 also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of BACOVA_02651 (pdb code 5e75). 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 BACOVA_02651, PDB code: 5e75:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of BACOVA_02651


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 BACOVA_02651 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl609 b:23.3 occ:1.00 H A:ASP366 2.4 15.8 1.0 HA3 A:GLY364 2.8 14.4 1.0 HB2 A:ASP366 2.8 24.3 1.0 HD2 A:PRO365 2.9 18.2 1.0 O A:HOH948 3.1 19.1 1.0 O A:HOH874 3.1 27.1 1.0 N A:ASP366 3.2 13.2 1.0 HA3 A:GLY301 3.3 18.1 1.0 HE2 A:LYS344 3.4 42.5 1.0 HZ1 A:LYS344 3.5 50.0 1.0 CA A:GLY364 3.6 12.0 1.0 C A:GLY364 3.6 12.2 1.0 N A:PRO365 3.6 11.4 1.0 CB A:ASP366 3.6 20.2 1.0 CD A:PRO365 3.7 15.2 1.0 O A:HOH784 3.9 26.5 1.0 CA A:ASP366 3.9 15.4 1.0 H31 A:TRS605 3.9 37.0 1.0 OD2 A:ASP366 3.9 28.4 1.0 HA2 A:GLY301 3.9 18.1 1.0 HZ3 A:LYS344 3.9 50.0 1.0 H A:ASP367 4.0 16.2 1.0 CG A:ASP366 4.0 26.6 1.0 NZ A:LYS344 4.0 41.7 1.0 CA A:GLY301 4.0 15.0 1.0 CE A:LYS344 4.1 35.4 1.0 H A:GLY364 4.2 13.8 1.0 HA2 A:GLY364 4.2 14.4 1.0 HB2 A:PRO365 4.2 18.7 1.0 O A:GLY364 4.2 12.9 1.0 C A:PRO365 4.2 12.4 1.0 HD3 A:PRO365 4.3 18.2 1.0 N A:ASP367 4.3 13.5 1.0 C A:ASP366 4.3 17.1 1.0 CA A:PRO365 4.4 13.2 1.0 N A:GLY364 4.4 11.5 1.0 HB3 A:ASP366 4.4 24.3 1.0 H21 A:TRS605 4.5 24.0 1.0 HE3 A:LYS344 4.5 42.5 1.0 OD2 A:ASP367 4.5 12.9 1.0 OD1 A:ASP367 4.6 14.9 1.0 CG A:ASP367 4.6 14.0 1.0 CG A:PRO365 4.6 16.0 1.0 CB A:PRO365 4.6 15.6 1.0 HG2 A:PRO365 4.7 19.2 1.0 O A:HOH1080 4.7 36.5 1.0 HA A:ASP366 4.8 18.5 1.0 H22 A:TRS605 4.8 24.0 1.0 OD1 A:ASP366 4.8 27.0 1.0 HZ2 A:LYS344 4.9 50.0 1.0 N A:GLY301 4.9 14.8 1.0 C3 A:TRS605 5.0 30.8 1.0 O A:GLY301 5.0 17.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of BACOVA_02651


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 BACOVA_02651 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl610 b:11.5 occ:1.00 HH12 A:ARG74 2.5 15.2 1.0 H21 A:TRS606 2.5 21.3 1.0 HH22 A:ARG74 2.5 13.4 1.0 H A:VAL92 2.6 14.7 1.0 HA A:PHE90 2.7 13.6 1.0 HO3 A:TRS606 2.9 26.3 1.0 O1 A:TRS606 3.0 23.9 1.0 HG23 A:VAL92 3.1 15.1 1.0 HB A:VAL92 3.1 13.2 1.0 HO2 A:TRS606 3.2 33.5 1.0 O2 A:TRS606 3.2 27.9 1.0 NH1 A:ARG74 3.3 12.6 1.0 C2 A:TRS606 3.3 17.8 1.0 NH2 A:ARG74 3.3 11.2 1.0 HO1 A:TRS606 3.3 28.7 1.0 C A:PHE90 3.3 14.0 1.0 CA A:PHE90 3.4 11.3 1.0 N A:VAL92 3.4 12.2 1.0 HD1 A:PHE90 3.4 13.5 1.0 HD23 A:LEU522 3.6 16.1 1.0 HB3 A:PHE90 3.6 15.2 1.0 N A:GLN91 3.6 12.6 1.0 CG2 A:VAL92 3.7 12.6 1.0 CB A:VAL92 3.7 11.0 1.0 O A:PHE90 3.7 14.6 1.0 CZ A:ARG74 3.7 12.9 1.0 HD21 A:LEU522 3.7 16.1 1.0 H A:GLN91 3.8 15.1 1.0 O3 A:TRS606 3.9 21.9 1.0 HG21 A:VAL92 3.9 15.1 1.0 O A:ASP519 3.9 11.6 1.0 C1 A:TRS606 3.9 28.9 1.0 HH11 A:ARG74 3.9 15.2 1.0 CB A:PHE90 4.0 12.6 1.0 HH21 A:ARG74 4.0 13.4 1.0 C A:TRS606 4.1 14.3 1.0 H11 A:TRS606 4.1 34.7 1.0 CA A:VAL92 4.1 13.4 1.0 CD2 A:LEU522 4.1 13.4 1.0 CD1 A:PHE90 4.1 11.3 1.0 H22 A:TRS606 4.1 21.3 1.0 HA A:GLN91 4.3 15.9 1.0 C A:GLN91 4.3 12.4 1.0 CA A:GLN91 4.3 13.2 1.0 HB3 A:ASP519 4.4 14.4 1.0 O A:VAL92 4.4 14.5 1.0 CG A:PHE90 4.5 11.2 1.0 HG22 A:VAL92 4.6 15.1 1.0 O A:GLN86 4.6 10.9 1.0 N A:PHE90 4.6 11.0 1.0 H A:PHE90 4.6 13.2 1.0 C3 A:TRS606 4.6 27.8 1.0 HD22 A:LEU522 4.6 16.1 1.0 C A:VAL92 4.8 13.3 1.0 HA A:ASP519 4.8 12.0 1.0 HB2 A:PHE90 4.9 15.2 1.0 H12 A:TRS606 4.9 34.7 1.0 HA A:PHE87 4.9 13.9 1.0 HA A:VAL92 4.9 16.0 1.0 C A:ASP519 5.0 10.6 1.0 HD3 A:PRO523 5.0 14.3 1.0

A.S.Tauzin, K.J.Kwiatkowski, N.I.Orlovsky, C.J.Smith, A.L.Creagh, C.A.Haynes, Z.Wawrzak, H.Brumer, N.M.Koropatkin. Molecular Dissection of Xyloglucan Recognition in A Prominent Human Gut Symbiont. Mbio V. 7 02134 2016.
ISSN: ESSN 2150-7511
PubMed: 27118585
DOI: 10.1128/MBIO.02134-15