Chlorine in PDB 5ncv: Crystal Structure of Cytochrome C in Complex with P- Methylphosphonatocalix[4]Arene

The structure of Crystal Structure of Cytochrome C in Complex with P- Methylphosphonatocalix[4]Arene, PDB code: 5ncv was solved by J.M.Alex, M.L.Rennie, P.B.Crowley, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.74 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	28.917, 80.227, 47.807, 90.00, 93.07, 90.00
R / Rfree (%)	17 / 20.1

The structure of Crystal Structure of Cytochrome C in Complex with P- Methylphosphonatocalix[4]Arene also contains other interesting chemical elements:

Iron

(Fe)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Cytochrome C in Complex with P- Methylphosphonatocalix[4]Arene (pdb code 5ncv). 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 Cytochrome C in Complex with P- Methylphosphonatocalix[4]Arene, PDB code: 5ncv:

Chlorine binding site 1 out of 1 in the Crystal Structure of Cytochrome C in Complex with P- Methylphosphonatocalix[4]Arene


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 Cytochrome C in Complex with P- Methylphosphonatocalix[4]Arene within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:42.2 occ:1.00 O A:HOH447 2.8 34.4 1.0 NZ A:LYS27 3.1 22.7 1.0 O A:HOH366 3.2 31.0 1.0 CG A:LYS27 3.5 17.2 1.0 CD A:LYS27 3.7 19.4 1.0 CB A:LYS27 3.9 15.9 1.0 CE A:LYS27 3.9 21.9 1.0 O A:HOH355 4.2 23.8 1.0 CA A:LYS27 4.7 15.5 1.0 O A:GLN16 4.7 16.9 1.0 O A:HOH350 4.9 28.9 1.0

J.M.Alex, M.L.Rennie, S.Volpi, F.Sansone, A.Casnati, P.B.Crowley. Phosphonated Calixarene As A ""Molecular Glue"" For Protein Crystallization Cryst.Growth Des. V. 18 2467 2018.
ISSN: ISSN 1528-7483
DOI: 10.1021/ACS.CGD.8B00092