Chlorine in PDB 6hf4: The Structure of BOMAN26B, A GH26 Beta-Mannanase From Bacteroides Ovatus, Complexed with G1M4

The structure of The Structure of BOMAN26B, A GH26 Beta-Mannanase From Bacteroides Ovatus, Complexed with G1M4, PDB code: 6hf4 was solved by V.Bagenholm, D.T.Logan, H.Stalbrand, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.50 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	50.122, 68.363, 94.993, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 21

The structure of The Structure of BOMAN26B, A GH26 Beta-Mannanase From Bacteroides Ovatus, Complexed with G1M4 also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the The Structure of BOMAN26B, A GH26 Beta-Mannanase From Bacteroides Ovatus, Complexed with G1M4 (pdb code 6hf4). 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 The Structure of BOMAN26B, A GH26 Beta-Mannanase From Bacteroides Ovatus, Complexed with G1M4, PDB code: 6hf4:

Chlorine binding site 1 out of 1 in the The Structure of BOMAN26B, A GH26 Beta-Mannanase From Bacteroides Ovatus, Complexed with G1M4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of BOMAN26B, A GH26 Beta-Mannanase From Bacteroides Ovatus, Complexed with G1M4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl407 b:36.4 occ:1.00 O A:HOH551 3.1 39.3 1.0 N A:TYR94 3.2 22.8 1.0 OG A:SER354 3.3 34.2 1.0 N A:SER354 3.3 25.0 1.0 CB A:SER354 3.5 36.7 1.0 O A:HOH619 3.6 37.0 1.0 CA A:LYS93 3.8 21.9 1.0 SG A:CYS352 4.0 35.1 1.0 O A:TYR94 4.0 24.1 1.0 N A:ARG353 4.0 19.7 1.0 CB A:TYR94 4.0 20.4 1.0 C A:LYS93 4.0 21.4 1.0 CB A:LYS93 4.0 27.3 1.0 CA A:TYR94 4.0 21.3 1.0 CA A:SER354 4.1 32.0 1.0 CB A:CYS352 4.1 25.9 1.0 CB A:ARG353 4.1 23.7 1.0 CD2 A:TYR94 4.2 29.0 1.0 C A:ARG353 4.3 26.7 1.0 CG A:LYS93 4.3 36.2 1.0 CA A:ARG353 4.3 21.2 1.0 C A:TYR94 4.5 14.7 1.0 CG A:TYR94 4.6 24.6 1.0 C A:CYS352 4.7 22.9 1.0 O A:GLY92 5.0 24.4 1.0

V.Bagenholm, M.Wiemann, S.K.Reddy, A.Bhattacharya, A.Rosengren, D.T.Logan, H.Stalbrand. A Surface-Exposed GH26 Beta-Mannanase Frombacteroides Ovatus: Structure, Role, and Phylogenetic Analysis OFBOMAN26B. J.Biol.Chem. V. 294 9100 2019.
ISSN: ESSN 1083-351X
PubMed: 31000630
DOI: 10.1074/JBC.RA118.007171