Chlorine in PDB 6ne9: Bacteroides Intestinalis Acetyl Xylan Esterase (BACINT_01039)

The structure of Bacteroides Intestinalis Acetyl Xylan Esterase (BACINT_01039), PDB code: 6ne9 was solved by N.M.Koropatkin, G.V.Pereira, I.Cann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.60 / 1.74
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	116.703, 126.553, 110.260, 90.00, 90.00, 90.00
R / Rfree (%)	18.3 / 21.7

The binding sites of Chlorine atom in the Bacteroides Intestinalis Acetyl Xylan Esterase (BACINT_01039) (pdb code 6ne9). 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 Bacteroides Intestinalis Acetyl Xylan Esterase (BACINT_01039), PDB code: 6ne9:

Chlorine binding site 1 out of 1 in the Bacteroides Intestinalis Acetyl Xylan Esterase (BACINT_01039)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bacteroides Intestinalis Acetyl Xylan Esterase (BACINT_01039) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl411 b:42.9 occ:1.00 HH12 B:ARG157 3.0 34.2 1.0 HH22 B:ARG157 3.1 24.4 1.0 HH21 A:ARG192 3.3 41.1 1.0 HZ2 B:TRP118 3.3 18.4 1.0 NH1 B:ARG157 3.8 28.5 1.0 HG21 A:ILE110 3.8 14.1 1.0 HD12 A:ILE110 3.8 25.4 1.0 NH2 B:ARG157 3.9 20.3 1.0 CZ2 B:TRP118 3.9 15.3 1.0 O B:HOH563 3.9 39.7 1.0 O B:HOH577 3.9 23.0 1.0 HE1 B:TRP118 4.0 17.8 1.0 NH2 A:ARG192 4.0 34.3 1.0 HD13 A:ILE110 4.0 25.4 1.0 HH22 A:ARG192 4.2 41.1 1.0 HB A:ILE110 4.2 14.0 1.0 CZ B:ARG157 4.3 27.6 1.0 NE1 B:TRP118 4.3 14.8 1.0 CE2 B:TRP118 4.3 14.3 1.0 CD1 A:ILE110 4.4 21.1 1.0 HH11 B:ARG157 4.4 34.2 1.0 HH21 B:ARG157 4.5 24.4 1.0 CG2 A:ILE110 4.5 11.7 1.0 HG22 A:ILE110 4.6 14.1 1.0 CH2 B:TRP118 4.8 15.3 1.0 O A:HOH746 4.8 44.8 1.0 CB A:ILE110 4.8 11.6 1.0 HE A:ARG192 4.8 45.3 1.0 HH2 B:TRP118 4.9 18.4 1.0 O A:HOH634 4.9 18.0 1.0 HG21 B:THR188 4.9 16.2 1.0

G.V.Pereira, C.Dalessandro-Gabazza, J.Farris, D.Wefers, R.Mackie, N.M.Koropatkin, E.C.Gabazza, I.Cann. Complex Arabinoxylan Fermenting Bacteroidetes Release Dietary Antioxidants That Impact Host Immune Function To Be Published.