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Chlorine in PDB 6g8q: 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide

Protein crystallography data

The structure of 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide, PDB code: 6g8q was solved by S.A.Andrei, V.Thijssen, L.Brunsveld, C.Ottmann, L.G.Milroy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.95 / 1.85
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 82.108, 111.900, 62.620, 90.00, 90.00, 90.00
R / Rfree (%) 14.4 / 17.5

Other elements in 6g8q:

The structure of 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide also contains other interesting chemical elements:

Calcium (Ca) 1 atom
Sodium (Na) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide (pdb code 6g8q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide, PDB code: 6g8q:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 6g8q

Go back to Chlorine Binding Sites List in 6g8q
Chlorine binding site 1 out of 2 in the 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:19.4
occ:1.00
HZ3 A:LYS9 2.2 17.2 1.0
HD3 A:LYS9 3.0 14.7 1.0
NZ A:LYS9 3.1 14.3 1.0
HZ2 A:LYS9 3.4 17.2 1.0
HZ A:PHE25 3.5 17.5 1.0
HZ1 A:LYS9 3.6 17.2 1.0
CD A:LYS9 3.7 12.2 1.0
CE A:LYS9 3.8 12.6 1.0
HE2 A:LYS9 3.8 15.1 1.0
HE2 A:MET1 3.9 19.4 1.0
HE2 A:PHE25 4.0 14.2 1.0
HD2 A:LYS9 4.1 14.7 1.0
CZ A:PHE25 4.3 14.6 1.0
HE3 A:MET1 4.5 19.4 1.0
CE2 A:PHE25 4.5 11.9 1.0
CE A:MET1 4.6 16.2 1.0
HE3 A:LYS9 4.7 15.1 1.0
O A:HOH711 4.8 43.8 1.0
HG2 A:LYS9 5.0 13.0 1.0
CG A:LYS9 5.0 10.8 1.0

Chlorine binding site 2 out of 2 in 6g8q

Go back to Chlorine Binding Sites List in 6g8q
Chlorine binding site 2 out of 2 in the 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 14-3-3SIGMA in Complex with A A130BETA3A and Q133BETA3Q Mutated Yap PS127 Phosphopeptide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:14.7
occ:0.43
HH12 A:ARG148 2.0 7.3 0.5
HD1 A:HIS180 2.2 14.2 1.0
HG A:SER186 2.2 22.9 1.0
O A:HOH702 2.8 27.3 1.0
ND1 A:HIS180 2.8 11.8 1.0
NH1 A:ARG148 2.8 6.1 0.5
OG A:SER186 2.9 19.1 1.0
HB2 A:SER186 3.0 18.8 1.0
HH11 A:ARG148 3.1 7.3 0.5
HE1 A:HIS180 3.1 16.2 1.0
HB3 A:ALA184 3.1 17.5 1.0
CE1 A:HIS180 3.3 13.5 1.0
HB2 A:ALA184 3.4 17.5 1.0
CB A:SER186 3.4 15.7 1.0
HB3 A:SER186 3.5 18.8 1.0
HG2 A:GLU189 3.6 19.3 1.0
CB A:ALA184 3.7 14.6 1.0
HH22 A:ARG148 3.8 11.1 0.5
CZ A:ARG148 4.0 17.4 0.5
HA A:HIS180 4.0 11.7 1.0
CG A:HIS180 4.0 11.1 1.0
HB1 A:ALA184 4.0 17.5 1.0
HB3 A:GLU189 4.1 17.1 1.0
HE2 A:PHE179 4.1 18.1 1.0
O A:HOH609 4.1 24.6 1.0
NH2 A:ARG148 4.3 9.3 0.5
O A:HOH669 4.3 38.9 1.0
HB3 A:HIS180 4.3 15.4 1.0
CG A:GLU189 4.5 16.1 1.0
NE2 A:HIS180 4.5 13.2 1.0
O A:HOH471 4.5 24.5 1.0
HB2 A:GLU189 4.5 17.1 1.0
CB A:HIS180 4.6 12.8 1.0
CB A:GLU189 4.6 14.2 1.0
CA A:HIS180 4.7 9.7 1.0
O A:ALA184 4.7 18.6 1.0
CA A:SER186 4.8 14.2 1.0
CD2 A:HIS180 4.9 11.4 1.0
CE2 A:PHE179 4.9 15.1 1.0
HG3 A:GLU189 5.0 19.3 1.0
HD3 A:ARG148 5.0 20.9 0.5
CA A:ALA184 5.0 15.8 1.0

Reference:

S.A.Andrei, V.Thijssen, L.Brunsveld, C.Ottmann, L.G.Milroy. A Study on the Effect of Synthetic Alpha-to-BETA3-Amino Acid Mutations on the Binding of Phosphopeptides to 14-3-3 Proteins. Chem.Commun.(Camb.) 2019.
ISSN: ESSN 1364-548X
PubMed: 31763628
DOI: 10.1039/C9CC07982C
Page generated: Sat Jul 12 14:27:15 2025

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