Chlorine in PDB 5yha: Crystal Structure of Pd(Allyl)/Wild Type Polyhedra

The structure of Crystal Structure of Pd(Allyl)/Wild Type Polyhedra, PDB code: 5yha was solved by S.Abe, K.Atsumi, K.Yamashita, K.Hirata, H.Mori, T.Ueno, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.10 / 1.58
Space group	I 2 3
Cell size a, b, c (Å), α, β, γ (°)	103.190, 103.190, 103.190, 90.00, 90.00, 90.00
R / Rfree (%)	15 / 19.7

The structure of Crystal Structure of Pd(Allyl)/Wild Type Polyhedra also contains other interesting chemical elements:

Palladium

(Pd)

8 atoms

The binding sites of Chlorine atom in the Crystal Structure of Pd(Allyl)/Wild Type Polyhedra (pdb code 5yha). 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 Pd(Allyl)/Wild Type Polyhedra, PDB code: 5yha:

Chlorine binding site 1 out of 1 in the Crystal Structure of Pd(Allyl)/Wild Type Polyhedra


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 Pd(Allyl)/Wild Type Polyhedra within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:23.0 occ:1.00 N A:LEU31 3.2 9.3 1.0 CB A:SER30 3.8 9.2 1.0 CB A:LEU31 3.8 11.6 1.0 CG A:LEU31 3.8 13.8 1.0 CA A:LEU31 4.0 10.4 1.0 CA A:SER30 4.1 9.1 1.0 C A:SER30 4.1 8.8 1.0 OD1 A:ASN32 4.3 20.7 1.0 CD1 A:LEU31 4.3 13.5 1.0 OG A:SER30 4.6 9.4 1.0 N A:ASN32 4.6 11.5 1.0 C A:LEU31 4.8 10.9 1.0

S.Abe, K.Atsumi, K.Yamashita, K.Hirata, H.Mori, T.Ueno. Structure of in Cell Protein Crystals Containing Organometallic Complexes. Phys Chem Chem Phys V. 20 2986 2018.
ISSN: ESSN 1463-9084
PubMed: 29138769
DOI: 10.1039/C7CP06651A