Chlorine in PDB 4zbj: UBN1 Peptide Bound to H3.3/H4/ASF1

The structure of UBN1 Peptide Bound to H3.3/H4/ASF1, PDB code: 4zbj was solved by R.Marmorstein, M.D.Ricketts, Y.Tang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.41 / 2.25
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	90.024, 90.024, 120.734, 90.00, 90.00, 120.00
R / Rfree (%)	20.8 / 23.5

The binding sites of Chlorine atom in the UBN1 Peptide Bound to H3.3/H4/ASF1 (pdb code 4zbj). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the UBN1 Peptide Bound to H3.3/H4/ASF1, PDB code: 4zbj:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the UBN1 Peptide Bound to H3.3/H4/ASF1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of UBN1 Peptide Bound to H3.3/H4/ASF1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:48.6 occ:1.00 N A:LEU6 3.1 43.3 1.0 CZ A:ARG148 3.2 75.2 1.0 NH1 A:ARG148 3.2 82.9 1.0 O A:HOH354 3.2 46.9 1.0 O C:HOH311 3.3 56.4 1.0 NH2 A:ARG148 3.5 63.8 1.0 NE A:ARG148 3.6 71.0 1.0 CA A:SER5 3.7 48.1 1.0 CG2 A:VAL107 3.9 35.3 1.0 CB A:LEU6 3.9 41.3 1.0 C A:SER5 3.9 40.1 1.0 CB A:SER5 4.0 44.9 1.0 CD A:ARG148 4.1 51.0 1.0 CA A:LEU6 4.1 45.4 1.0 CG A:ARG148 4.1 45.5 1.0 CD1 A:LEU6 4.3 44.6 1.0 CB A:VAL107 4.5 40.0 1.0 CG A:LEU6 4.5 54.7 1.0 CG1 A:VAL146 4.5 35.0 1.0 O A:LEU6 4.6 46.0 1.0 CD2 A:LEU6 4.7 44.8 1.0 O A:VAL4 4.7 43.1 1.0 C A:LEU6 4.9 42.1 1.0 N A:SER5 5.0 39.6 1.0

Chlorine binding site 2 out of 8 in the UBN1 Peptide Bound to H3.3/H4/ASF1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of UBN1 Peptide Bound to H3.3/H4/ASF1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:45.3 occ:1.00 N A:TYR117 3.2 41.5 1.0 CG A:GLU116 3.6 57.0 1.0 CD2 A:TYR117 3.7 39.5 1.0 CA A:GLU116 3.7 41.8 1.0 CG1 A:VAL90 3.7 41.2 1.0 CG A:ARG123 3.8 45.9 1.0 CA A:ARG123 3.9 44.4 1.0 C A:GLU116 4.0 40.8 1.0 CB A:TYR117 4.0 42.4 1.0 CB A:ARG123 4.1 49.3 1.0 CA A:TYR117 4.2 41.3 1.0 CG A:TYR117 4.2 42.5 1.0 CB A:GLU116 4.2 41.8 1.0 CD A:ARG123 4.5 48.3 1.0 CE2 A:TYR117 4.6 39.7 1.0 O A:ARG123 4.6 51.7 1.0 O A:ASN115 4.6 39.2 1.0 N A:ARG123 4.8 48.0 1.0 C A:ARG123 4.8 49.4 1.0 CD A:GLU116 4.9 59.8 1.0 N A:GLU116 4.9 38.3 1.0 CB A:VAL90 5.0 39.6 1.0 O A:LEU122 5.0 45.1 1.0

Chlorine binding site 3 out of 8 in the UBN1 Peptide Bound to H3.3/H4/ASF1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of UBN1 Peptide Bound to H3.3/H4/ASF1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:64.0 occ:0.82 O A:HOH358 2.8 53.5 1.0 N A:ALA141 3.3 39.8 1.0 N A:GLU142 3.3 44.4 1.0 CG A:GLU142 3.3 60.2 1.0 CB A:GLU142 3.7 53.5 1.0 C A:LEU140 3.9 41.1 1.0 O A:ILE139 3.9 38.5 1.0 CD1 A:LEU140 4.0 39.1 1.0 CA A:LEU140 4.0 40.5 1.0 CA A:ALA141 4.0 44.3 1.0 C A:ALA141 4.1 47.6 1.0 CA A:GLU142 4.1 52.1 1.0 CB A:ALA141 4.2 44.4 1.0 CD A:GLU142 4.5 84.5 1.0 OE2 A:GLU142 4.6 77.8 1.0 O A:LEU140 4.8 39.4 1.0 O A:HOH393 4.8 54.1 1.0 C A:ILE139 4.9 38.8 1.0 CG A:LEU140 4.9 46.1 1.0 ND2 A:ASN14 4.9 43.9 1.0 N A:LEU140 4.9 39.5 1.0 CB A:LEU140 5.0 34.6 1.0

Chlorine binding site 4 out of 8 in the UBN1 Peptide Bound to H3.3/H4/ASF1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of UBN1 Peptide Bound to H3.3/H4/ASF1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:43.3 occ:1.00 NH2 B:ARG116 3.2 46.0 1.0 O A:HOH344 3.2 34.7 1.0 N A:VAL92 3.4 44.3 1.0 NE B:ARG116 3.4 51.1 1.0 NZ B:LYS122 3.5 62.7 1.0 CB A:SER91 3.7 46.3 1.0 CG1 A:VAL92 3.7 34.1 1.0 CZ B:ARG116 3.8 50.6 1.0 CB B:ALA114 3.9 38.3 1.0 CA A:SER91 4.0 45.0 1.0 OG A:SER91 4.2 66.8 1.0 CB A:VAL92 4.2 40.1 1.0 C A:SER91 4.2 43.0 1.0 CE B:LYS122 4.3 52.4 1.0 CD B:LYS122 4.4 52.2 1.0 CA A:VAL92 4.4 45.4 1.0 O A:HOH317 4.6 66.3 1.0 CD B:ARG116 4.7 47.3 1.0 O A:VAL92 4.9 36.5 1.0

Chlorine binding site 5 out of 8 in the UBN1 Peptide Bound to H3.3/H4/ASF1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of UBN1 Peptide Bound to H3.3/H4/ASF1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:56.2 occ:1.00 O C:HOH320 2.8 55.5 1.0 O C:HOH308 3.0 52.0 1.0 N B:ARG63 3.2 50.0 1.0 CG B:ARG63 3.4 64.8 1.0 CB B:ARG63 3.5 54.9 1.0 NH2 C:ARG36 3.6 47.6 1.0 CB C:ALA33 3.8 49.4 1.0 OG1 C:THR30 3.9 47.4 1.0 CA B:ARG63 3.9 56.6 1.0 C B:ILE62 4.1 50.6 1.0 CA B:ILE62 4.1 47.8 1.0 CD B:ARG63 4.4 77.7 1.0 CG2 B:ILE62 4.5 55.1 1.0 NH1 C:ARG36 4.5 41.2 1.0 CZ C:ARG36 4.5 46.7 1.0 O B:LEU61 4.6 68.8 1.0 CA C:ALA33 4.8 43.2 1.0 CG2 C:THR30 4.8 43.5 1.0 NE B:ARG63 4.8 88.9 1.0 CB B:ILE62 4.9 55.0 1.0 CB C:THR30 5.0 47.7 1.0

Chlorine binding site 6 out of 8 in the UBN1 Peptide Bound to H3.3/H4/ASF1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of UBN1 Peptide Bound to H3.3/H4/ASF1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:62.4 occ:1.00 N B:LYS122 3.2 42.9 1.0 CB B:LYS122 3.4 42.0 1.0 CG B:LYS122 3.4 57.6 1.0 CD B:PRO121 3.6 54.2 1.0 CB B:MET120 3.8 51.2 1.0 N B:PRO121 3.8 48.8 1.0 CA B:LYS122 3.9 46.4 1.0 CB B:PRO121 3.9 46.9 1.0 CG B:PRO121 4.1 47.5 1.0 C B:PRO121 4.1 41.5 1.0 CD B:LYS122 4.2 52.2 1.0 CA B:PRO121 4.2 47.0 1.0 C B:MET120 4.4 46.3 1.0 CG B:MET120 4.7 56.4 1.0 CA B:MET120 4.7 46.6 1.0 SD B:MET120 4.7 66.4 1.0

Chlorine binding site 7 out of 8 in the UBN1 Peptide Bound to H3.3/H4/ASF1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of UBN1 Peptide Bound to H3.3/H4/ASF1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl204 b:70.9 occ:1.00 N B:LYS64 3.1 49.4 1.0 O B:HOH315 3.1 59.6 1.0 CA B:ARG63 3.6 56.6 1.0 CG B:LYS64 3.6 53.3 1.0 C B:ARG63 3.8 51.1 1.0 CB B:LYS64 3.8 48.7 1.0 CA B:LYS64 4.0 52.8 1.0 CB B:ARG63 4.2 54.9 1.0 CD B:LYS64 4.3 59.4 1.0 O B:ILE62 4.4 46.5 1.0 CG B:ARG63 4.4 64.8 1.0 N B:ARG63 4.7 50.0 1.0 CE B:LYS64 4.9 60.6 1.0 C B:ILE62 4.9 50.6 1.0 N B:LEU65 5.0 52.1 1.0

Chlorine binding site 8 out of 8 in the UBN1 Peptide Bound to H3.3/H4/ASF1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of UBN1 Peptide Bound to H3.3/H4/ASF1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:40.9 occ:1.00 NH1 C:ARG35 3.3 35.5 1.0 NH2 C:ARG35 3.4 39.0 1.0 CZ C:ARG35 3.8 42.3 1.0 CD C:PRO32 4.0 36.3 1.0 CB C:LYS31 4.1 44.2 1.0 CD C:LYS31 4.4 51.4 1.0 N C:PRO32 4.6 39.2 1.0 CG C:PRO32 4.7 38.2 1.0 CG C:LYS31 4.9 41.2 1.0 CB C:PRO32 5.0 36.3 1.0

M.Daniel Ricketts, B.Frederick, H.Hoff, Y.Tang, D.C.Schultz, T.Singh Rai, M.Grazia Vizioli, P.D.Adams, R.Marmorstein. Ubinuclein-1 Confers Histone H3.3-Specific-Binding By the Hira Histone Chaperone Complex. Nat Commun V. 6 7711 2015.
ISSN: ESSN 2041-1723
PubMed: 26159857
DOI: 10.1038/NCOMMS8711