Chlorine in PDB 5zbx: The Crystal Structure of the Nucleosome Containing Histone H3.1 Catd(V76Q, K77D)

The structure of The Crystal Structure of the Nucleosome Containing Histone H3.1 Catd(V76Q, K77D), PDB code: 5zbx was solved by Y.Arimura, H.Takagi, H.Kurumizaka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.28 / 2.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	99.543, 109.003, 170.136, 90.00, 90.00, 90.00
R / Rfree (%)	21.3 / 24.9

The structure of The Crystal Structure of the Nucleosome Containing Histone H3.1 Catd(V76Q, K77D) also contains other interesting chemical elements:

Manganese

(Mn)

8 atoms

The binding sites of Chlorine atom in the The Crystal Structure of the Nucleosome Containing Histone H3.1 Catd(V76Q, K77D) (pdb code 5zbx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of the Nucleosome Containing Histone H3.1 Catd(V76Q, K77D), PDB code: 5zbx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of the Nucleosome Containing Histone H3.1 Catd(V76Q, K77D)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of the Nucleosome Containing Histone H3.1 Catd(V76Q, K77D) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:57.4 occ:1.00 N D:SER91 3.2 45.0 1.0 N C:GLY46 3.3 40.7 1.0 N C:ALA47 3.7 45.9 1.0 CB D:THR90 3.7 48.6 1.0 CA D:THR90 3.7 43.9 1.0 CA C:GLY46 3.7 40.7 1.0 N C:ALA45 3.9 54.8 1.0 CA C:GLY44 3.9 49.1 1.0 C C:GLY44 3.9 50.6 1.0 C D:THR90 4.0 47.4 1.0 OG D:SER91 4.0 55.0 1.0 C C:GLY46 4.0 44.9 1.0 CB D:SER91 4.0 46.2 1.0 OP1 J:DT258 4.1 70.0 1.0 CA D:SER91 4.2 41.9 1.0 CG2 D:THR90 4.3 39.0 1.0 C C:ALA45 4.4 50.8 1.0 O C:GLY44 4.5 53.5 1.0 CA C:ALA47 4.6 40.1 1.0 CB C:ALA47 4.6 43.2 1.0 CA C:ALA45 4.7 54.4 1.0 OG1 D:THR90 4.9 45.3 1.0 N C:GLY44 4.9 53.9 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of the Nucleosome Containing Histone H3.1 Catd(V76Q, K77D)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of the Nucleosome Containing Histone H3.1 Catd(V76Q, K77D) within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl2001 b:55.7 occ:1.00 N H:SER91 3.1 46.4 1.0 N G:GLY46 3.2 37.7 1.0 CA H:THR90 3.5 43.8 1.0 N G:ALA47 3.5 45.5 1.0 CB H:THR90 3.6 43.2 1.0 CA G:GLY46 3.6 44.8 1.0 CA G:GLY44 3.7 46.3 1.0 C G:GLY44 3.8 52.6 1.0 N G:ALA45 3.8 54.8 1.0 C H:THR90 3.8 46.1 1.0 C G:GLY46 3.9 46.5 1.0 OG H:SER91 4.0 59.0 1.0 CB H:SER91 4.0 49.2 1.0 OP1 I:DA111 4.1 62.2 1.0 CA H:SER91 4.1 43.8 1.0 CG2 H:THR90 4.2 39.3 1.0 C G:ALA45 4.3 49.4 1.0 O G:GLY44 4.4 51.6 1.0 CA G:ALA47 4.5 41.9 1.0 CB G:ALA47 4.5 46.6 1.0 CA G:ALA45 4.6 50.3 1.0 N G:GLY44 4.6 45.5 1.0 OG1 H:THR90 4.8 48.1 1.0 O H:ILE89 4.8 41.2 1.0 N H:THR90 4.8 41.6 1.0 O G:GLY46 4.9 51.1 1.0 O H:THR90 5.0 47.9 1.0

Y.Arimura, H.Tachiwana, H.Takagi, T.Hori, H.Kimura, T.Fukagawa, H.Kurumizaka. The Cenp-A Centromere Targeting Domain Facilitates H4K20 Monomethylation in the Nucleosome By Structural Polymorphism. Nat Commun V. 10 576 2019.
ISSN: ESSN 2041-1723
PubMed: 30718488
DOI: 10.1038/S41467-019-08314-X