Chlorine in PDB 5chb: Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal

The structure of Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal, PDB code: 5chb was solved by A.R.D.Voet, H.Noguchi, C.Addy, K.Y.J.Zhang, J.R.H.Tame, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.55
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	61.200, 61.200, 109.558, 90.00, 90.00, 120.00
R / Rfree (%)	15.2 / 18.8

The structure of Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal also contains other interesting chemical elements:

Cadmium

(Cd)

6 atoms

The binding sites of Chlorine atom in the Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal (pdb code 5chb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal, PDB code: 5chb:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal


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 NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl104 b:14.1 occ:1.00 CD B:CD103 2.7 15.5 0.5 CD B:CD102 2.8 14.0 0.5 CD B:CD101 2.8 13.1 1.0 CL B:CL105 3.6 15.2 1.0 CL B:CL106 3.6 14.7 1.0 CL C:CL105 3.9 13.8 1.0 CL C:CL104 4.0 13.8 1.0 CD C:CD101 4.8 13.3 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl105 b:15.2 occ:1.00 CD B:CD102 2.6 14.0 0.5 CD B:CD101 2.6 13.1 1.0 ND1 B:HIS58 3.3 17.3 1.0 CD2 B:HIS73 3.3 14.4 1.0 NE2 B:HIS73 3.4 14.8 1.0 NE2 B:HIS31 3.4 15.9 1.0 CD2 B:HIS31 3.5 18.3 1.0 CL B:CL104 3.6 14.1 1.0 CE1 B:HIS58 3.8 15.8 1.0 CL B:CL106 3.9 14.7 1.0 CG2 B:THR56 4.0 19.5 1.0 CG B:HIS73 4.2 14.3 1.0 CE1 B:HIS73 4.2 15.3 1.0 CG B:HIS58 4.5 15.4 1.0 ND1 B:HIS73 4.6 13.7 1.0 CD B:CD103 4.7 15.5 0.5 CE1 B:HIS31 4.7 16.8 1.0 CG B:HIS31 4.9 16.6 1.0 CB B:HIS73 5.0 15.6 1.0 CB B:HIS58 5.0 16.2 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl106 b:14.7 occ:1.00 CD B:CD103 2.7 15.5 0.5 CD B:CD101 2.7 13.1 1.0 CD C:CD101 2.8 13.3 1.0 CL C:CL105 3.6 13.8 1.0 CL B:CL104 3.6 14.1 1.0 CE1 B:HIS58 3.7 15.8 1.0 NE2 C:HIS31 3.7 15.0 1.0 CL C:CL104 3.7 13.8 1.0 NE2 B:HIS73 3.8 14.8 1.0 CL B:CL105 3.9 15.2 1.0 CL C:CL103 4.0 15.3 1.0 CE1 B:HIS73 4.0 15.3 1.0 CE1 C:HIS58 4.1 18.6 1.0 ND1 B:HIS58 4.3 17.3 1.0 CD2 C:HIS31 4.3 17.3 1.0 CE1 C:HIS31 4.3 16.1 1.0 NE2 B:HIS58 4.4 16.0 1.0 ND1 C:HIS58 4.8 17.0 1.0 CD B:CD102 4.8 14.0 0.5 CD2 B:HIS73 4.9 14.4 1.0 CD C:CD102 4.9 12.9 0.5

Chlorine binding site 4 out of 6 in the Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl103 b:15.3 occ:1.00 CD C:CD102 2.6 12.9 0.5 CD C:CD101 2.6 13.3 1.0 NE2 C:HIS73 3.3 14.8 1.0 CD2 C:HIS73 3.3 14.9 1.0 ND1 C:HIS58 3.4 17.0 1.0 NE2 C:HIS31 3.5 15.0 1.0 CD2 C:HIS31 3.5 17.3 1.0 CL C:CL104 3.5 13.8 1.0 CE1 C:HIS58 3.8 18.6 1.0 CL B:CL106 4.0 14.7 1.0 CE1 C:HIS73 4.1 14.8 1.0 CG2 C:THR56 4.2 21.7 1.0 CG C:HIS73 4.2 15.4 1.0 ND1 C:HIS73 4.6 14.8 1.0 CG C:HIS58 4.6 17.0 1.0 CD B:CD103 4.7 15.5 0.5 CE1 C:HIS31 4.8 16.1 1.0 CG C:HIS31 4.8 16.2 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl104 b:13.8 occ:1.00 CD B:CD103 2.7 15.5 0.5 CD C:CD102 2.7 12.9 0.5 CD C:CD101 2.7 13.3 1.0 CL C:CL103 3.5 15.3 1.0 CL B:CL106 3.7 14.7 1.0 CL C:CL105 3.9 13.8 1.0 CL B:CL104 4.0 14.1 1.0 CD B:CD101 4.9 13.1 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of NVPIZZA2-S16H58 Coordinating A CDCL2 Nanocrystal within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl105 b:13.8 occ:1.00 CD C:CD101 2.6 13.3 1.0 CD B:CD101 2.6 13.1 1.0 CE1 C:HIS31 3.5 16.1 1.0 CL B:CL106 3.6 14.7 1.0 NE2 C:HIS31 3.6 15.0 1.0 NE2 B:HIS73 3.9 14.8 1.0 CL B:CL104 3.9 14.1 1.0 CL C:CL104 3.9 13.8 1.0 CE1 B:HIS73 4.6 15.3 1.0 CD B:CD103 4.7 15.5 0.5 ND1 C:HIS31 4.8 15.8 1.0 CD2 C:HIS31 4.9 17.3 1.0 CD2 B:HIS73 4.9 14.4 1.0

A.R.D.Voet, H.Noguchi, C.Addy, K.Y.J.Zhang, J.R.H.Tame. Biomineralization of A Cadmium Chloride Nanocrystal By A Designed Symmetrical Protein Angew.Chem.Int.Ed.Engl. V. 54 9857 2015.
ISSN: ESSN 1521-3773
PubMed: 26136355
DOI: 10.1002/ANIE.201503575