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Chlorine in PDB 5d2d: Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768

Enzymatic activity of Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768

All present enzymatic activity of Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768:
3.6.3.49;

Protein crystallography data

The structure of Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768, PDB code: 5d2d was solved by L.M.Stevers, S.F.R.Leysen, C.Ottmann, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.09 / 2.10
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 112.862, 112.862, 158.192, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 22

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768 (pdb code 5d2d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768, PDB code: 5d2d:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5d2d

Go back to Chlorine Binding Sites List in 5d2d
Chlorine binding site 1 out of 4 in the Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl302

b:81.3
occ:0.93
 OE1 A:GLU39 3.0 67.6 1.0
OG A:SER37 3.2 42.0 1.0
OE1 A:GLU40 3.3 53.3 1.0
CG A:GLU40 3.6 46.3 1.0
CD A:GLU40 3.7 50.3 1.0
CD A:GLU39 4.1 62.8 1.0
CB A:GLU39 4.2 43.0 1.0
CB A:SER37 4.3 44.7 1.0
O A:HOH456 4.3 57.1 1.0
CG A:GLU39 4.5 49.0 1.0
N A:GLU40 4.6 38.8 1.0
OE2 A:GLU40 4.6 40.9 1.0
CB A:GLU40 4.8 37.9 1.0

Chlorine binding site 2 out of 4 in 5d2d

Go back to Chlorine Binding Sites List in 5d2d
Chlorine binding site 2 out of 4 in the Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:73.0
occ:0.92
 OG A:SER28 3.3 51.3 1.0
O A:ALA24 3.7 42.8 1.0
CD2 A:LEU6 4.0 53.4 1.0
C A:ALA24 4.1 43.1 1.0
CA A:CYS25 4.1 40.6 1.0
CB A:SER28 4.1 44.8 1.0
N A:CYS25 4.2 44.1 1.0
O A:HOH454 4.4 49.4 1.0
CB A:ALA24 4.6 40.8 1.0
SG A:CYS25 4.6 47.2 1.0
O A:HOH487 4.9 74.9 1.0
CA A:ALA24 5.0 43.0 1.0
CB A:CYS25 5.0 42.8 1.0

Chlorine binding site 3 out of 4 in 5d2d

Go back to Chlorine Binding Sites List in 5d2d
Chlorine binding site 3 out of 4 in the Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl304

b:85.2
occ:1.00
 CZ A:PHE196 4.0 47.1 1.0
CE2 A:PHE196 4.0 48.4 1.0
NH1 A:ARG222 4.1 43.1 1.0
CD A:ARG222 4.5 39.8 1.0
CG A:GLN219 4.7 59.6 1.0
CB A:MET218 4.8 40.5 1.0
N A:GLN219 4.9 40.9 1.0
CZ A:ARG222 4.9 48.4 1.0
C A:MET218 5.0 40.9 1.0
O A:HOH469 5.0 59.3 1.0

Chlorine binding site 4 out of 4 in 5d2d

Go back to Chlorine Binding Sites List in 5d2d
Chlorine binding site 4 out of 4 in the Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human 14-3-3 Zeta in Complex with Cftr R-Domain Peptide PS753-PS768 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl302

b:80.8
occ:1.00
 OE1 B:GLU39 2.8 75.3 1.0
OG B:SER37 3.3 51.8 1.0
OE2 B:GLU40 3.3 62.6 1.0
CD B:GLU40 3.8 58.3 1.0
CG B:GLU40 3.9 52.6 1.0
CD B:GLU39 4.0 70.2 1.0
CB B:SER37 4.2 47.7 1.0
CB B:GLU39 4.3 53.9 1.0
CG B:GLU39 4.6 65.6 1.0
OE1 B:GLU40 4.8 46.7 1.0
CG1 B:VAL7 4.8 49.3 1.0
N B:GLU40 4.9 43.4 1.0
OE2 B:GLU39 5.0 68.4 1.0

Reference:

L.M.Stevers, C.V.Lam, S.F.Leysen, F.A.Meijer, D.S.Van Scheppingen, R.M.De Vries, G.W.Carlile, L.G.Milroy, D.Y.Thomas, L.Brunsveld, C.Ottmann. Characterization and Small-Molecule Stabilization of the Multisite Tandem Binding Between 14-3-3 and the R Domain of Cftr. Proc.Natl.Acad.Sci.Usa V. 113 E1152 2016.
ISSN: ESSN 1091-6490
PubMed: 26888287
DOI: 10.1073/PNAS.1516631113
Page generated: Fri Jul 26 06:29:42 2024

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