Chlorine in PDB 4yc5: BETA1 Synthetic Solenoid Protein

The structure of BETA1 Synthetic Solenoid Protein, PDB code: 4yc5 was solved by J.W.Murray, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	64.57 / 1.76
Space group	P 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	64.570, 64.570, 160.400, 90.00, 90.00, 90.00
R / Rfree (%)	15.8 / 18.5

The binding sites of Chlorine atom in the BETA1 Synthetic Solenoid Protein (pdb code 4yc5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the BETA1 Synthetic Solenoid Protein, PDB code: 4yc5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the BETA1 Synthetic Solenoid Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of BETA1 Synthetic Solenoid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:16.4 occ:1.00 O A:HOH473 3.2 13.2 1.0 CB A:ALA31 3.7 12.6 1.0 CA A:ALA31 3.7 13.3 1.0 O A:HOH417 3.8 33.6 1.0 N A:ALA31 4.4 14.0 1.0 O A:HOH474 4.5 13.7 1.0 CD1 A:TYR30 4.5 12.8 1.0 O A:HOH446 4.6 18.4 1.0 O A:HOH660 4.8 39.6 1.0 C A:ALA31 4.8 20.7 1.0 O A:ALA31 4.9 16.4 1.0 CE1 A:TYR30 4.9 15.8 1.0 C A:TYR30 5.0 13.5 1.0

Chlorine binding site 2 out of 2 in the BETA1 Synthetic Solenoid Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of BETA1 Synthetic Solenoid Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:14.1 occ:1.00 NE A:ARG191 3.1 14.9 1.0 O A:HOH488 3.3 12.2 1.0 NH2 A:ARG191 3.3 10.4 1.0 CZ A:ARG191 3.7 15.8 1.0 CG2 A:THR173 3.9 13.4 1.0 CB A:ARG191 4.1 9.4 1.0 CD A:ARG191 4.3 15.9 1.0 CG A:ARG191 4.3 11.3 1.0 OD2 A:ASP193 4.5 15.7 1.0 CE A:MET171 4.8 15.4 1.0 O A:HOH477 4.9 18.6 1.0 NH1 A:ARG191 5.0 14.7 1.0

J.T.Macdonald, B.V.Kabasakal, D.Godding, S.Kraatz, L.Henderson, J.Barber, P.S.Freemont, J.W.Murray. Synthetic Beta-Solenoid Proteins with the Fragment-Free Computational Design of A Beta-Hairpin Extension. Proc.Natl.Acad.Sci.Usa V. 113 10346 2016.
ISSN: ESSN 1091-6490
PubMed: 27573845
DOI: 10.1073/PNAS.1525308113