Chlorine in PDB 9clr: Hydroxynitrile Lyase From Hevea Brasiliensis with Seventy-One Mutations

The structure of Hydroxynitrile Lyase From Hevea Brasiliensis with Seventy-One Mutations, PDB code: 9clr was solved by P.Tan, E.L.Meixner, A.Nguyen, R.J.Kazlaukas, C.T.Pierce, R.L.Evans, K.Shi, H.Aihara, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.49 / 1.99
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	49.966, 80.751, 135.456, 90, 90, 90
R / Rfree (%)	22 / 25.3

The structure of Hydroxynitrile Lyase From Hevea Brasiliensis with Seventy-One Mutations also contains other interesting chemical elements:

Magnesium

(Mg)

5 atoms

The binding sites of Chlorine atom in the Hydroxynitrile Lyase From Hevea Brasiliensis with Seventy-One Mutations (pdb code 9clr). 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 Hydroxynitrile Lyase From Hevea Brasiliensis with Seventy-One Mutations, PDB code: 9clr:

Chlorine binding site 1 out of 1 in the Hydroxynitrile Lyase From Hevea Brasiliensis with Seventy-One Mutations


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Hydroxynitrile Lyase From Hevea Brasiliensis with Seventy-One Mutations within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:45.6 occ:1.00 NE2 B:HIS112 2.9 29.2 1.0 CD2 B:HIS112 3.3 27.4 1.0 CE1 B:PHE116 3.7 28.9 1.0 CZ B:PHE116 3.8 24.3 1.0 CE1 B:HIS112 4.0 27.4 1.0 CG B:HIS112 4.6 24.1 1.0 CD1 B:PHE116 4.7 30.2 1.0 CE2 B:PHE116 4.8 26.5 1.0 ND1 B:HIS112 4.9 25.0 1.0

P.Tan, C.T.Pierce, E.L.Meixner, A.Nguyen, K.Shi, H.Aihara, R.L.Evans, R.J.Kazlaukas. Hydroxynitrile Lyase From Hevea Brasiliensis with Seventy-One Mutations To Be Published.