Chlorine in PDB 5x4n: Crystal Structure of the BCL6 Btb Domain in Complex with Compound 4

Protein crystallography data

The structure of Crystal Structure of the BCL6 Btb Domain in Complex with Compound 4, PDB code: 5x4n was solved by S.Sogabe, K.Ida, W.Lane, G.Snell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 1.94
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 66.602, 66.602, 154.609, 90.00, 90.00, 120.00
R / Rfree (%) 18.8 / 20.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the BCL6 Btb Domain in Complex with Compound 4 (pdb code 5x4n). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of the BCL6 Btb Domain in Complex with Compound 4, PDB code: 5x4n:

Chlorine binding site 1 out of 1 in 5x4n

Go back to Chlorine Binding Sites List in 5x4n
Chlorine binding site 1 out of 1 in the Crystal Structure of the BCL6 Btb Domain in Complex with Compound 4


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 the BCL6 Btb Domain in Complex with Compound 4 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl801

b:40.1
occ:1.00
CL1 A:7ZL801 0.0 40.1 1.0
C8 A:7ZL801 1.7 40.7 1.0
C6 A:7ZL801 2.7 42.6 1.0
C9 A:7ZL801 2.7 41.4 1.0
N14 A:7ZL801 3.0 41.6 1.0
CD2 A:LEU25 3.6 39.9 1.0
CG A:LEU25 3.7 37.0 1.0
CB A:ASN21 3.8 34.5 1.0
CD1 A:LEU25 3.8 36.8 1.0
N11 A:7ZL801 3.9 43.2 1.0
N12 A:7ZL801 4.0 42.0 1.0
O A:ASN21 4.0 35.5 1.0
CG A:ASN21 4.3 36.9 1.0
C A:ASN21 4.3 34.7 1.0
C10 A:7ZL801 4.4 43.5 1.0
C7 A:7ZL801 4.4 43.0 1.0
CA A:ASN21 4.5 35.0 1.0
ND2 A:ASN21 4.6 35.5 1.0
OD1 A:ASN21 4.9 37.0 1.0

Reference:

Y.Kamada, N.Sakai, S.Sogabe, K.Ida, H.Oki, K.Sakamoto, W.Lane, G.Snell, M.Iida, Y.Imaeda, J.Sakamoto, J.Matsui. Discovery of A B-Cell Lymphoma 6 Protein-Protein Interaction Inhibitor By A Biophysics-Driven Fragment-Based Approach J. Med. Chem. V. 60 4358 2017.
ISSN: ISSN 1520-4804
PubMed: 28471657
DOI: 10.1021/ACS.JMEDCHEM.7B00313
Page generated: Sat Dec 12 12:38:28 2020

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