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Chlorine in PDB 5vk0: Crystal Structure of Human MDM2 in Complex with A 12-Mer Lysine- Cysteine Side Chain Dithiocarbamate Stapled Peptide Inhibitor Pmi

Enzymatic activity of Crystal Structure of Human MDM2 in Complex with A 12-Mer Lysine- Cysteine Side Chain Dithiocarbamate Stapled Peptide Inhibitor Pmi

All present enzymatic activity of Crystal Structure of Human MDM2 in Complex with A 12-Mer Lysine- Cysteine Side Chain Dithiocarbamate Stapled Peptide Inhibitor Pmi:
2.3.2.27;

Protein crystallography data

The structure of Crystal Structure of Human MDM2 in Complex with A 12-Mer Lysine- Cysteine Side Chain Dithiocarbamate Stapled Peptide Inhibitor Pmi, PDB code: 5vk0 was solved by W.D.Tolbert, N.Gohain, M.Pazgier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.70 / 1.80
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 90.838, 157.470, 196.650, 90.00, 90.00, 90.00
R / Rfree (%) 19.8 / 24.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human MDM2 in Complex with A 12-Mer Lysine- Cysteine Side Chain Dithiocarbamate Stapled Peptide Inhibitor Pmi (pdb code 5vk0). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Human MDM2 in Complex with A 12-Mer Lysine- Cysteine Side Chain Dithiocarbamate Stapled Peptide Inhibitor Pmi, PDB code: 5vk0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5vk0

Go back to Chlorine Binding Sites List in 5vk0
Chlorine binding site 1 out of 2 in the Crystal Structure of Human MDM2 in Complex with A 12-Mer Lysine- Cysteine Side Chain Dithiocarbamate Stapled Peptide Inhibitor Pmi


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 MDM2 in Complex with A 12-Mer Lysine- Cysteine Side Chain Dithiocarbamate Stapled Peptide Inhibitor Pmi within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl201

b:34.9
occ:1.00
 CD1 C:LEU33 3.6 24.2 1.0
CD C:PRO32 3.7 20.1 1.0
CE W:LYS36 3.9 29.9 1.0
O C:HOH332 4.1 20.0 1.0
O C:HOH315 4.1 18.8 1.0
CD W:LYS36 4.1 28.3 1.0
CB C:LYS31 4.3 19.9 1.0
N C:PRO32 4.4 19.8 1.0
N C:LEU33 4.5 20.3 1.0
CG C:PRO32 4.5 21.2 1.0
CG C:LEU33 4.6 23.1 1.0
CB C:PRO32 4.8 21.1 1.0
CB C:LEU33 4.9 20.9 1.0
CD C:LYS31 4.9 22.4 1.0
C C:LYS31 4.9 18.0 1.0

Chlorine binding site 2 out of 2 in 5vk0

Go back to Chlorine Binding Sites List in 5vk0
Chlorine binding site 2 out of 2 in the Crystal Structure of Human MDM2 in Complex with A 12-Mer Lysine- Cysteine Side Chain Dithiocarbamate Stapled Peptide Inhibitor Pmi


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 MDM2 in Complex with A 12-Mer Lysine- Cysteine Side Chain Dithiocarbamate Stapled Peptide Inhibitor Pmi within 5.0Å range:
probe atom residue distance (Å) B Occ
X:Cl101

b:35.5
occ:1.00
 OG X:SER11 3.4 29.7 1.0
SG X:CYS12 3.9 29.3 1.0
CG X:9E78 4.0 27.8 1.0
CE X:9E78 4.1 29.7 1.0
C1 X:9E78 4.2 29.6 1.0
NZ X:9E78 4.5 31.0 1.0
CB X:SER11 4.6 24.3 1.0
O X:9E78 4.6 22.7 1.0
CD X:9E78 4.7 29.3 1.0
CZ W:PHE55 4.8 18.8 1.0
O W:HOH212 4.8 16.4 1.0
CE1 W:PHE55 5.0 18.7 1.0
CB X:CYS12 5.0 28.1 1.0

Reference:

X.Li, W.D.Tolbert, H.G.Hu, N.Gohain, Y.Zou, F.Niu, W.X.He, W.Yuan, J.C.Su, M.Pazgier, W.Lu. Dithiocarbamate-Inspired Side Chain Stapling Chemistry For Peptide Drug Design. Chem Sci V. 10 1522 2019.
ISSN: ISSN 2041-6520
PubMed: 30809370
DOI: 10.1039/C8SC03275K
Page generated: Fri Jul 26 18:51:43 2024

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