Chlorine in PDB 5vti: Structure of PIN1 Ww Domain Sequence 3 with [R,R]-Acpc Loop Substitution

The structure of Structure of PIN1 Ww Domain Sequence 3 with [R,R]-Acpc Loop Substitution, PDB code: 5vti was solved by D.E.Mortenson, D.F.Kreitler, N.C.Thomas, S.H.Gellman, K.T.Forest, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.06 / 1.80
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	48.173, 48.173, 37.214, 90.00, 90.00, 90.00
R / Rfree (%)	23.1 / 27.5

The binding sites of Chlorine atom in the Structure of PIN1 Ww Domain Sequence 3 with [R,R]-Acpc Loop Substitution (pdb code 5vti). 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 Structure of PIN1 Ww Domain Sequence 3 with [R,R]-Acpc Loop Substitution, PDB code: 5vti:

Chlorine binding site 1 out of 1 in the Structure of PIN1 Ww Domain Sequence 3 with [R,R]-Acpc Loop Substitution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of PIN1 Ww Domain Sequence 3 with [R,R]-Acpc Loop Substitution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl101 b:44.2 occ:1.00 CB A:PRO8 3.8 36.6 1.0 CA A:PRO8 3.8 37.7 1.0 CG A:PRO8 4.1 37.0 1.0 CD A:PRO9 4.2 36.2 1.0 N A:PRO8 4.5 38.9 1.0 CD A:PRO8 4.9 37.6 1.0

D.E.Mortenson, D.F.Kreitler, N.C.Thomas, I.A.Guzei, S.H.Gellman, K.T.Forest. Evaluation of Beta-Amino Acid Replacements in Protein Loops: Effects on Conformational Stability and Structure. Chembiochem V. 19 604 2018.
ISSN: ESSN 1439-7633
PubMed: 29272560
DOI: 10.1002/CBIC.201700580