Chlorine in PDB 3vcd: Computationally Designed Self-Assembling Octahedral Cage Protein, O333, Crystallized in Space Group R32

The structure of Computationally Designed Self-Assembling Octahedral Cage Protein, O333, Crystallized in Space Group R32, PDB code: 3vcd was solved by M.R.Sawaya, N.P.King, W.Sheffler, D.Baker, T.O.Yeates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.74 / 2.35
Space group	H 3 2 1
Cell size a, b, c (Å), α, β, γ (°)	137.920, 137.920, 560.570, 90.00, 90.00, 120.00
R / Rfree (%)	18 / 21.3

The binding sites of Chlorine atom in the Computationally Designed Self-Assembling Octahedral Cage Protein, O333, Crystallized in Space Group R32 (pdb code 3vcd). 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 Computationally Designed Self-Assembling Octahedral Cage Protein, O333, Crystallized in Space Group R32, PDB code: 3vcd:

Chlorine binding site 1 out of 1 in the Computationally Designed Self-Assembling Octahedral Cage Protein, O333, Crystallized in Space Group R32


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Computationally Designed Self-Assembling Octahedral Cage Protein, O333, Crystallized in Space Group R32 within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl205 b:98.3 occ:1.00 O H:HOH337 2.9 64.2 1.0 NH2 H:ARG94 3.0 86.4 1.0 NH1 H:ARG94 3.1 64.0 1.0 NH2 H:ARG172 3.4 66.8 1.0 CZ H:ARG94 3.5 90.1 1.0 NH1 H:ARG172 3.8 72.9 1.0 CZ H:ARG172 4.1 82.2 1.0 NE H:ARG94 4.7 77.7 1.0 CB H:GLU175 4.8 63.7 1.0 CG H:GLU175 4.8 80.8 1.0

N.P.King, W.Sheffler, M.R.Sawaya, B.S.Vollmar, J.P.Sumida, I.Andre, T.Gonen, T.O.Yeates, D.Baker. Computational Design of Self-Assembling Protein Nanomaterials with Atomic Level Accuracy. Science V. 336 1171 2012.
ISSN: ISSN 0036-8075
PubMed: 22654060
DOI: 10.1126/SCIENCE.1219364