Chlorine in PDB 4n5h: Crystal Structure of Esterase B From Lactobacillus Rhamnosis (HN001)

The structure of Crystal Structure of Esterase B From Lactobacillus Rhamnosis (HN001), PDB code: 4n5h was solved by M.D.Bennett, R.Holland, T.S.Loo, C.A.Smith, G.E.Norris, M.-L.Delabre, B.F.Anderson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.76 / 1.71
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	109.502, 109.502, 59.433, 90.00, 90.00, 90.00
R / Rfree (%)	13.9 / 17.4

The structure of Crystal Structure of Esterase B From Lactobacillus Rhamnosis (HN001) also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Esterase B From Lactobacillus Rhamnosis (HN001) (pdb code 4n5h). 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 Esterase B From Lactobacillus Rhamnosis (HN001), PDB code: 4n5h:

Chlorine binding site 1 out of 1 in the Crystal Structure of Esterase B From Lactobacillus Rhamnosis (HN001)


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 Esterase B From Lactobacillus Rhamnosis (HN001) within 5.0Å range: probe atom residue distance (Å) B Occ X:Cl404 b:33.1 occ:1.00 CD1 X:TRP37 3.4 17.9 1.0 N X:TRP37 3.5 19.4 1.0 O X:VAL35 3.8 20.8 1.0 CA X:HIS36 3.8 18.2 1.0 NH1 X:ARG90 3.9 29.5 0.5 NE1 X:TRP37 4.1 19.2 1.0 C X:HIS36 4.1 18.2 1.0 CG X:TRP37 4.3 20.3 1.0 CA X:TRP37 4.5 15.8 1.0 O X:TRP37 4.5 12.8 1.0 C X:VAL35 4.6 19.5 1.0 N X:HIS36 4.6 17.2 1.0 CB X:TRP37 4.7 18.8 1.0 CB X:HIS36 4.7 23.0 1.0 CD2 X:HIS36 4.8 29.7 1.0 CZ X:ARG90 4.8 27.4 0.5 NH2 X:ARG90 4.9 23.5 0.5

M.D.Bennett, B.F.Anderson, G.E.Norris, M.-L.Delabre, C.A.Smith. Crystal Structure of Esterase B From Lactobacillus Rhamnosis (HN001) To Be Published.