Chlorine in PDB 4i7a: Grpn Pentameric Microcompartment Shell Protein From Rhodospirillum Rubrum

The structure of Grpn Pentameric Microcompartment Shell Protein From Rhodospirillum Rubrum, PDB code: 4i7a was solved by N.M.Wheatley, S.D.Gidaniyan, D.Cascio, T.O.Yeates, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.79 / 3.20
Space group	I 2 3 1
Cell size a, b, c (Å), α, β, γ (°)	150.710, 150.710, 150.710, 90.00, 90.00, 90.00
R / Rfree (%)	26.7 / 28.8

The binding sites of Chlorine atom in the Grpn Pentameric Microcompartment Shell Protein From Rhodospirillum Rubrum (pdb code 4i7a). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Grpn Pentameric Microcompartment Shell Protein From Rhodospirillum Rubrum, PDB code: 4i7a:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Grpn Pentameric Microcompartment Shell Protein From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Grpn Pentameric Microcompartment Shell Protein From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl101 b:97.7 occ:1.00 N B:GLY21 3.1 1.0 1.0 NZ B:LYS15 3.3 84.0 1.0 CE B:LYS15 3.6 83.7 1.0 CA B:GLY21 3.8 0.1 1.0 C B:SER20 4.1 91.8 1.0 CA B:SER20 4.1 92.0 1.0 CB B:SER20 4.7 91.8 1.0 O B:LEU19 4.9 82.1 1.0 N B:THR22 4.9 87.1 1.0 C B:GLY21 4.9 0.8 1.0

Chlorine binding site 2 out of 3 in the Grpn Pentameric Microcompartment Shell Protein From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Grpn Pentameric Microcompartment Shell Protein From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl101 b:90.7 occ:1.00 N C:GLY21 3.7 0.5 1.0 CE C:LYS15 3.7 93.5 1.0 NZ C:LYS15 4.0 94.0 1.0 CA C:SER20 4.1 0.6 1.0 CB C:SER20 4.4 0.6 1.0 C C:SER20 4.4 0.6 1.0 CA C:GLY21 4.6 0.2 1.0 OG C:SER20 4.6 0.7 1.0

Chlorine binding site 3 out of 3 in the Grpn Pentameric Microcompartment Shell Protein From Rhodospirillum Rubrum


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Grpn Pentameric Microcompartment Shell Protein From Rhodospirillum Rubrum within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl101 b:95.2 occ:1.00 N D:GLY21 3.3 97.1 1.0 CE D:LYS15 3.8 85.5 1.0 NZ D:LYS15 3.8 84.8 1.0 CA D:GLY21 4.0 96.6 1.0 CA D:SER20 4.2 0.2 1.0 C D:SER20 4.2 0.5 1.0 CB D:SER20 4.7 0.3 1.0 O D:LEU19 4.9 94.6 1.0

N.M.Wheatley, S.D.Gidaniyan, Y.Liu, D.Cascio, T.O.Yeates. Bacterial Microcompartment Shells of Diverse Functional Types Possess Pentameric Vertex Proteins. Protein Sci. V. 22 660 2013.
ISSN: ISSN 0961-8368
PubMed: 23456886
DOI: 10.1002/PRO.2246