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Chlorine in PDB 4dfw: Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides

Enzymatic activity of Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides

All present enzymatic activity of Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides:
2.7.11.21;

Protein crystallography data

The structure of Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides, PDB code: 4dfw was solved by F.Liu, J.-E.Park, W.-J.Qian, D.Lim, M.Gr Ber, T.Berg, M.B.Yaffe, K.S.Lee, T.R.Burke Jr., with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 13.86 / 1.55
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 35.665, 34.844, 47.097, 76.44, 86.95, 69.14
R / Rfree (%) 15.5 / 19.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides (pdb code 4dfw). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides, PDB code: 4dfw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4dfw

Go back to Chlorine Binding Sites List in 4dfw
Chlorine binding site 1 out of 2 in the Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl701

b:16.0
occ:1.00
 H A:SER390 2.4 3.6 1.0
HA A:LYS388 2.9 70.1 1.0
OG A:SER390 2.9 13.3 1.0
O A:HOH824 3.0 11.4 1.0
HG3 A:GLU391 3.0 41.1 1.0
HD2 A:PRO389 3.1 1.1 1.0
N A:SER390 3.2 12.6 1.0
HG A:SER390 3.3 57.5 1.0
HB2 A:ALA577 3.3 11.0 1.0
C A:LYS388 3.3 12.2 1.0
N A:PRO389 3.5 11.3 1.0
CA A:LYS388 3.5 12.1 1.0
H A:GLU391 3.5 0.0 1.0
HB3 A:LYS388 3.5 8.0 1.0
HD3 A:LYS388 3.6 0.1 1.0
HD2 A:LYS388 3.7 0.0 1.0
CD A:PRO389 3.7 10.9 1.0
HH11 A:ARG581 3.7 76.5 1.0
O A:LYS388 3.8 14.1 1.0
CB A:SER390 3.8 12.7 1.0
HH12 A:ARG581 3.9 0.0 1.0
CA A:SER390 3.9 11.0 1.0
HG2 A:PRO389 3.9 3.6 1.0
HB3 A:SER390 3.9 1.2 1.0
N A:GLU391 4.0 12.6 1.0
CB A:LYS388 4.0 14.2 1.0
CG A:GLU391 4.0 20.1 1.0
CB A:ALA577 4.0 12.8 1.0
CD A:LYS388 4.0 37.4 1.0
NH1 A:ARG581 4.1 11.3 1.0
HB3 A:ALA577 4.1 9.4 1.0
HB1 A:ALA577 4.1 66.2 1.0
C A:PRO389 4.3 11.3 1.0
C A:SER390 4.3 13.2 1.0
HB2 A:GLU391 4.4 14.6 1.0
O A:HOH837 4.4 20.2 1.0
OE2 A:GLU391 4.4 30.5 1.0
CG A:PRO389 4.4 10.3 1.0
CA A:PRO389 4.4 10.4 1.0
CD A:GLU391 4.5 24.7 1.0
HD3 A:PRO389 4.5 9.2 1.0
O A:HOH834 4.6 18.6 1.0
HG2 A:GLU391 4.6 13.5 1.0
CB A:GLU391 4.6 20.7 1.0
CG A:LYS388 4.7 17.9 1.0
HB2 A:SER390 4.7 3.3 1.0
N A:LYS388 4.8 12.8 1.0
HB2 A:LYS388 4.8 4.2 1.0
HA A:SER390 4.8 0.0 1.0
O A:HOH810 4.9 10.1 1.0
CA A:GLU391 4.9 18.2 1.0
O A:HOH1033 4.9 29.8 1.0
H A:LYS388 4.9 19.9 1.0
HZ3 A:LYS388 5.0 26.3 1.0

Chlorine binding site 2 out of 2 in 4dfw

Go back to Chlorine Binding Sites List in 4dfw
Chlorine binding site 2 out of 2 in the Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl702

b:19.6
occ:1.00
 H A:THR561 2.3 67.0 1.0
O A:HOH1014 2.9 28.0 1.0
HA A:ARG560 2.9 4.5 1.0
O A:HOH876 3.1 16.1 1.0
O A:HOH847 3.1 26.5 1.0
N A:THR561 3.2 7.8 1.0
HB3 A:GLU401 3.2 21.1 1.0
HA A:PRO403 3.3 84.2 1.0
HD2 A:ARG560 3.3 22.5 1.0
HB3 A:PRO403 3.4 11.5 1.0
HG3 A:PRO403 3.5 0.5 1.0
HD3 A:ARG560 3.5 88.1 1.0
CA A:ARG560 3.7 8.8 1.0
HB3 A:ARG560 3.7 5.1 1.0
HB A:THR561 3.7 89.4 1.0
O A:THR561 3.8 9.8 1.0
CA A:PRO403 3.9 17.6 1.0
CD A:ARG560 3.9 16.8 1.0
C A:ARG560 3.9 8.1 1.0
CB A:PRO403 3.9 20.5 1.0
N A:PRO403 3.9 18.2 1.0
HG2 A:GLU401 4.0 6.0 1.0
H A:ASP402 4.0 11.8 1.0
CG A:PRO403 4.1 22.8 1.0
CA A:THR561 4.1 7.9 1.0
CB A:GLU401 4.1 11.7 1.0
HD3 A:PRO403 4.1 26.3 1.0
CB A:ARG560 4.2 13.6 1.0
CB A:THR561 4.3 9.2 1.0
CD A:PRO403 4.3 24.0 1.0
HG1 A:THR561 4.3 0.0 1.0
OE1 A:GLU401 4.4 25.5 1.0
CG A:GLU401 4.4 11.3 1.0
C A:THR561 4.4 9.1 1.0
N A:ASP402 4.5 14.0 1.0
C A:ASP402 4.5 16.5 1.0
HA A:GLU401 4.6 0.0 1.0
CD A:GLU401 4.6 20.5 1.0
CG A:ARG560 4.7 17.2 1.0
O A:PHE559 4.7 11.1 1.0
OG1 A:THR561 4.7 9.6 1.0
O A:HOH906 4.7 27.0 1.0
HB2 A:GLU401 4.8 20.9 1.0
CA A:GLU401 4.8 12.4 1.0
N A:ARG560 4.9 10.1 1.0
HB2 A:PRO403 4.9 22.5 1.0
O A:HOH823 4.9 18.0 1.0
HG2 A:PRO403 5.0 11.8 1.0
O A:ASP402 5.0 18.6 1.0
HA A:THR561 5.0 0.6 1.0

Reference:

F.Liu, J.-E.Park, W.-J.Qian, D.Lim, A.Scharow, T.Berg, M.B.Yaffe, K.S.Lee, T.R.Burke. Oxime-Based Post Solid-Phase Peptide Diversification: Identification of High Affinity Polo-Like Kinase 1 (PLK1) Polo-Box Domain Binding Peptides Chem.Biol. 2012.
ISSN: ISSN 1074-5521
PubMed: 22292814
Page generated: Sun Jul 21 12:00:41 2024

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