Chlorine in PDB 3ssq: CCMK2 - Form 1 Dodecamer

The structure of CCMK2 - Form 1 Dodecamer, PDB code: 3ssq was solved by B.Samborska, M.S.Kimber, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	83.362, 83.362, 226.860, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 23.7

The binding sites of Chlorine atom in the CCMK2 - Form 1 Dodecamer (pdb code 3ssq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the CCMK2 - Form 1 Dodecamer, PDB code: 3ssq:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the CCMK2 - Form 1 Dodecamer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of CCMK2 - Form 1 Dodecamer within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:68.5 occ:1.00 NH2 B:ARG11 3.0 66.9 1.0 NH1 B:ARG41 3.4 55.8 1.0 CD A:ARG11 3.6 66.8 1.0 NE A:ARG11 3.7 68.4 1.0 CB B:SER39 3.7 55.9 1.0 CD B:ARG41 3.8 52.0 1.0 CG A:ARG11 4.0 61.9 1.0 OG B:SER39 4.0 57.7 1.0 O A:SER39 4.2 60.7 1.0 CZ B:ARG11 4.2 66.2 1.0 CZ B:ARG41 4.4 54.0 1.0 CG B:ARG41 4.5 51.2 1.0 CZ A:ARG11 4.5 70.4 1.0 NE B:ARG41 4.5 50.6 1.0 NH1 B:ARG11 4.6 68.1 1.0 CA A:GLY40 4.7 56.3 1.0 C A:SER39 4.8 59.9 1.0 O B:SER39 4.8 55.1 1.0

Chlorine binding site 2 out of 4 in the CCMK2 - Form 1 Dodecamer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of CCMK2 - Form 1 Dodecamer within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl103 b:62.1 occ:1.00 NH2 E:ARG11 3.0 61.4 1.0 NH1 E:ARG41 3.3 57.1 1.0 CD E:ARG41 3.7 50.5 1.0 CD D:ARG11 3.8 60.1 1.0 CB E:SER39 3.8 54.8 1.0 NE D:ARG11 4.1 61.4 1.0 CG D:ARG11 4.1 55.6 1.0 CZ E:ARG11 4.2 60.8 1.0 O D:SER39 4.3 54.4 1.0 OG E:SER39 4.3 57.6 1.0 CZ E:ARG41 4.3 54.5 1.0 CG E:ARG41 4.4 50.9 1.0 NE E:ARG41 4.4 50.6 1.0 NH1 E:ARG11 4.7 62.5 1.0 O E:SER39 4.7 54.2 1.0 C D:SER39 4.9 55.1 1.0 CA D:GLY40 4.9 51.9 1.0

Chlorine binding site 3 out of 4 in the CCMK2 - Form 1 Dodecamer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of CCMK2 - Form 1 Dodecamer within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl103 b:64.6 occ:1.00 NH1 F:ARG11 3.0 54.7 1.0 OG F:SER39 3.1 53.4 1.0 NH1 F:ARG41 3.3 48.7 1.0 CB F:SER39 3.7 51.4 1.0 CD E:ARG11 3.8 59.2 1.0 CD F:ARG41 3.8 46.9 1.0 NE E:ARG11 3.8 61.6 1.0 CZ F:ARG11 4.1 53.3 1.0 O E:SER39 4.2 54.2 1.0 NH2 F:ARG11 4.3 51.6 1.0 CG E:ARG11 4.3 55.3 1.0 CZ F:ARG41 4.3 48.6 1.0 CG F:ARG41 4.5 47.1 1.0 NE F:ARG41 4.5 48.3 1.0 O F:SER39 4.8 49.8 1.0 CZ E:ARG11 4.8 60.8 1.0 C E:SER39 4.9 53.3 1.0 CA E:GLY40 5.0 52.0 1.0

Chlorine binding site 4 out of 4 in the CCMK2 - Form 1 Dodecamer


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of CCMK2 - Form 1 Dodecamer within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl104 b:61.8 occ:1.00 NH2 F:ARG11 3.0 51.6 1.0 O F:HOH105 3.7 53.1 1.0 CD F:ARG11 3.7 55.5 1.0 CD2 F:LEU73 3.8 49.8 1.0 OE1 F:GLU71 3.9 59.8 1.0 CZ F:ARG11 4.0 53.3 1.0 NE F:ARG11 4.2 55.1 1.0 CD F:GLU71 4.4 60.7 1.0 CB F:ARG11 4.6 51.1 1.0 CG F:ARG11 4.6 52.7 1.0 OE2 F:GLU71 4.7 63.9 1.0 CB F:GLU71 4.8 58.8 1.0 CG F:LEU73 5.0 51.3 1.0

B.Samborska, M.S.Kimber. A CCMK2 Double Layer Is the Dominant Architectural Feature of the Beta-Carboxysomal Shell Facet Structure 2012.
ISSN: ISSN 0969-2126