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Chlorine in PDB 3ssq: CCMK2 - Form 1 Dodecamer

Protein crystallography data

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

Chlorine Binding Sites:

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 3ssq

Go back to Chlorine Binding Sites List in 3ssq
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 3ssq

Go back to Chlorine Binding Sites List in 3ssq
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 3ssq

Go back to Chlorine Binding Sites List in 3ssq
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 3ssq

Go back to Chlorine Binding Sites List in 3ssq
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

Reference:

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
Page generated: Sat Dec 12 10:10:48 2020

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