Chlorine in PDB 5e76: Crystal Structure of BACOVA_02651 with Xylogluco-Oligosaccharide

The structure of Crystal Structure of BACOVA_02651 with Xylogluco-Oligosaccharide, PDB code: 5e76 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)	56.13 / 2.30
Space group	I 4 2 2
Cell size a, b, c (Å), α, β, γ (°)	131.500, 131.500, 188.040, 90.00, 90.00, 90.00
R / Rfree (%)	21.7 / 25.3

The structure of Crystal Structure of BACOVA_02651 with Xylogluco-Oligosaccharide also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of BACOVA_02651 with Xylogluco-Oligosaccharide (pdb code 5e76). 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 BACOVA_02651 with Xylogluco-Oligosaccharide, PDB code: 5e76:

Chlorine binding site 1 out of 1 in the Crystal Structure of BACOVA_02651 with Xylogluco-Oligosaccharide


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 with Xylogluco-Oligosaccharide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl615 b:34.3 occ:1.00 HH22 A:ARG74 2.3 20.7 1.0 HH12 A:ARG74 2.5 22.4 1.0 H A:VAL92 2.6 24.4 1.0 HA A:PHE90 2.7 23.2 1.0 HB A:VAL92 2.9 25.2 1.0 NH2 A:ARG74 3.0 32.8 1.0 NH1 A:ARG74 3.2 35.3 1.0 HG23 A:VAL92 3.2 25.5 1.0 HD1 A:PHE90 3.3 21.3 1.0 HD23 A:LEU522 3.4 21.9 1.0 O A:HOH829 3.4 34.8 1.0 N A:VAL92 3.4 36.0 1.0 C A:PHE90 3.4 35.1 1.0 CA A:PHE90 3.4 35.2 1.0 CZ A:ARG74 3.5 34.3 1.0 HD21 A:LEU522 3.5 21.9 1.0 CB A:VAL92 3.6 37.0 1.0 HB3 A:PHE90 3.7 22.1 1.0 HH21 A:ARG74 3.7 20.7 1.0 O A:PHE90 3.8 33.8 1.0 CG2 A:VAL92 3.8 37.9 1.0 N A:GLN91 3.8 37.1 1.0 O A:ASP519 3.9 33.6 1.0 CD2 A:LEU522 3.9 36.0 1.0 HH11 A:ARG74 3.9 22.4 1.0 HG21 A:VAL92 4.0 25.5 1.0 CD1 A:PHE90 4.0 32.8 1.0 CB A:PHE90 4.0 33.6 1.0 CA A:VAL92 4.0 36.9 1.0 H A:GLN91 4.0 24.8 1.0 O A:VAL92 4.2 34.5 1.0 HB3 A:ASP519 4.3 20.8 1.0 HD22 A:LEU522 4.4 21.9 1.0 CG A:PHE90 4.4 33.4 1.0 C A:GLN91 4.4 38.0 1.0 CA A:GLN91 4.5 37.2 1.0 HA A:GLN91 4.6 25.1 1.0 C A:VAL92 4.6 36.0 1.0 HG22 A:VAL92 4.7 25.5 1.0 N A:PHE90 4.7 36.6 1.0 H A:PHE90 4.7 24.1 1.0 O A:GLN86 4.8 37.9 1.0 NE A:ARG74 4.8 34.8 1.0 HA A:ASP519 4.8 20.6 1.0 HA A:LEU522 4.9 21.2 1.0 HA A:PHE87 4.9 25.7 1.0 HD3 A:PRO523 4.9 22.6 1.0 HA A:VAL92 4.9 25.2 1.0 HB2 A:PHE90 4.9 22.1 1.0 C A:ASP519 4.9 32.2 1.0 HG A:LEU522 5.0 21.2 1.0 CG1 A:VAL92 5.0 38.1 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