Chlorine in PDB 1hq3: Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate

The structure of Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate, PDB code: 1hq3 was solved by L.Chantalat, J.M.Nicholson, S.J.Lambert, A.J.Reid, M.J.Donovan, C.D.Reynolds, C.M.Wood, J.P.Baldwin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.15
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	158.560, 158.560, 102.480, 90.00, 90.00, 120.00
R / Rfree (%)	21.4 / 25.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 22;

Binding sites:

The binding sites of Chlorine atom in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate (pdb code 1hq3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 22 binding sites of Chlorine where determined in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate, PDB code: 1hq3:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Chlorine binding site 1 out of 22 in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate


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 Histone-Core-Octamer in Kcl/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl604 b:34.3 occ:1.00 O A:HOH639 3.2 32.8 1.0 NH1 A:ARG35 3.5 21.9 1.0 CD A:ARG35 3.7 33.2 1.0 CA A:ARG32 3.9 25.7 1.0 CB A:ARG32 4.0 22.3 1.0 N A:ARG32 4.3 17.9 1.0 CZ A:ARG35 4.4 34.7 1.0 NE A:ARG35 4.5 42.3 1.0 NE A:ARG32 4.5 35.6 1.0 C A:HIS31 4.8 22.7 1.0 CD A:ARG32 4.8 38.8 1.0 O A:HIS31 4.8 27.4 1.0 CG A:ARG35 4.9 26.6 1.0 CG A:ARG32 5.0 45.3 1.0

Chlorine binding site 2 out of 22 in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate


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 the Histone-Core-Octamer in Kcl/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl606 b:38.9 occ:1.00 N A:GLY46 3.1 30.4 1.0 O B:HOH647 3.2 49.9 1.0 N B:SER91 3.4 27.8 1.0 CA A:GLY46 3.5 35.3 1.0 CB B:THR90 3.6 33.1 1.0 N A:ALA47 3.6 29.9 1.0 CA B:THR90 3.6 20.4 1.0 C A:GLY44 3.7 33.4 1.0 CA A:GLY44 3.7 31.0 1.0 N A:ALA45 3.8 27.8 1.0 C B:THR90 4.0 24.9 1.0 C A:GLY46 4.0 32.9 1.0 O A:GLY44 4.1 29.7 1.0 C A:ALA45 4.2 30.2 1.0 CB B:SER91 4.3 30.9 1.0 OG B:SER91 4.3 34.8 1.0 CG2 B:THR90 4.3 22.4 1.0 CA B:SER91 4.4 32.0 1.0 CA A:ALA45 4.6 31.9 1.0 OG1 B:THR90 4.7 34.3 1.0 CA A:ALA47 4.7 28.9 1.0 N A:GLY44 4.7 32.7 1.0 CB A:ALA47 4.8 20.2 1.0 O B:ILE89 4.9 26.9 1.0 N B:THR90 5.0 27.0 1.0

Chlorine binding site 3 out of 22 in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl613 b:76.1 occ:1.00 OD1 A:ASN89 3.4 36.2 1.0 O A:LEU85 3.6 32.8 1.0 CB A:ALA69 3.9 48.7 1.0 C A:LEU85 3.9 29.8 1.0 CB A:ASN89 4.1 36.9 1.0 CB A:LEU85 4.1 33.5 1.0 O A:HOH651 4.1 47.5 1.0 CG A:ASN89 4.1 50.1 1.0 N A:ALA86 4.1 34.2 1.0 CA A:ALA86 4.2 39.2 1.0 CA A:ALA69 4.5 41.9 1.0 CA A:LEU85 4.6 20.4 1.0 N A:ALA69 5.0 50.3 1.0 O A:LEU65 5.0 39.4 1.0

Chlorine binding site 4 out of 22 in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl620 b:81.9 occ:1.00 N A:ILE111 3.1 30.2 1.0 O A:HOH685 3.2 51.6 1.0 O A:HOH641 3.4 49.1 1.0 CA A:ASN110 3.7 36.6 1.0 C A:ASN110 3.9 32.0 1.0 O A:ILE111 4.0 39.5 1.0 CA A:ILE111 4.1 37.3 1.0 OD1 A:ASN110 4.1 45.3 1.0 CB A:ILE111 4.1 43.2 1.0 CG1 A:ILE111 4.2 42.5 1.0 N A:ASN110 4.4 39.1 1.0 O A:PRO109 4.5 43.9 1.0 C A:ILE111 4.5 39.9 1.0 CG A:ASN110 4.7 41.9 1.0 C A:PRO109 4.7 43.9 1.0 CB A:ASN110 4.8 38.9 1.0 CD1 A:LEU116 4.9 50.6 1.0 CD1 A:ILE111 5.0 36.6 1.0

Chlorine binding site 5 out of 22 in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl622 b:48.1 occ:1.00 NH1 A:ARG29 3.2 31.3 1.0 CD A:ARG29 3.5 29.3 1.0 CG A:ARG32 3.8 45.3 1.0 CB A:ARG32 4.0 22.3 1.0 CD A:ARG32 4.1 38.8 1.0 CZ A:ARG29 4.1 32.5 1.0 NE A:ARG29 4.2 33.6 1.0 CA A:ARG29 4.2 29.7 1.0 O2 A:PO4501 4.6 49.9 1.0 O A:GLY28 4.7 27.2 1.0 CG A:ARG29 4.7 31.6 1.0 CB A:ARG29 4.7 36.6 1.0 N A:ARG29 4.8 20.6 1.0 C A:GLY28 4.9 29.2 1.0

Chlorine binding site 6 out of 22 in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl614 b:39.3 occ:1.00 O B:HOH632 3.0 38.1 1.0 OG B:SER64 3.0 23.5 1.0 O H:HOH620 3.0 24.9 1.0 O B:HOH621 3.4 35.5 1.0 CD B:LYS34 3.5 46.2 1.0 CA H:GLY101 3.5 33.8 1.0 CB B:SER64 3.7 21.1 1.0 N H:GLY101 3.7 28.5 1.0 O H:HOH640 3.7 32.9 1.0 CA B:SER64 3.9 27.4 1.0 CE B:LYS34 4.1 54.1 1.0 NZ B:LYS34 4.2 55.4 1.0 O B:HOH623 4.2 29.1 1.0 CG B:LYS34 4.3 48.8 1.0 CE H:MET84 4.4 30.6 1.0 C H:PHE100 4.6 27.1 1.0 O H:LEU97 4.7 23.5 1.0 N B:SER64 4.8 23.1 1.0 CB B:LYS34 4.8 36.8 1.0 CG1 H:VAL87 4.8 11.8 1.0 N H:PHE100 4.9 26.5 1.0 C H:GLY101 4.9 44.8 1.0 C B:SER64 4.9 26.0 1.0 O B:SER64 4.9 22.7 1.0 SD H:MET84 5.0 50.3 1.0

Chlorine binding site 7 out of 22 in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl607 b:47.2 occ:1.00 N C:LYS122 3.3 30.7 1.0 CB C:LYS122 3.7 32.9 1.0 CD C:PRO121 3.7 41.8 1.0 CG C:LYS122 3.8 33.7 1.0 N C:PRO121 3.9 41.3 1.0 CE C:MET120 3.9 42.3 1.0 CB C:MET120 3.9 21.8 1.0 CE C:LYS122 4.0 61.3 1.0 CB C:PRO121 4.0 28.7 1.0 CA C:LYS122 4.1 36.5 1.0 C C:PRO121 4.2 43.9 1.0 CA C:PRO121 4.3 41.9 1.0 CG C:PRO121 4.4 34.0 1.0 C C:MET120 4.5 33.2 1.0 CD C:LYS122 4.5 50.4 1.0 CA C:MET120 4.8 29.8 1.0 CG C:MET120 4.8 37.9 1.0 SD C:MET120 4.9 50.1 1.0

Chlorine binding site 8 out of 22 in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl615 b:45.7 occ:1.00 N C:VAL117 3.0 36.9 1.0 OG1 C:THR118 3.1 35.2 1.0 N C:THR118 3.4 29.1 1.0 CB C:THR118 3.6 35.6 1.0 CB C:ARG116 3.6 31.0 1.0 CA C:ARG116 3.6 43.3 1.0 C C:ARG116 3.8 35.3 1.0 CG C:ARG116 3.9 32.1 1.0 CA C:VAL117 4.0 28.6 1.0 C C:VAL117 4.1 26.4 1.0 CA C:THR118 4.1 32.0 1.0 CG1 C:VAL117 4.1 43.9 1.0 CB C:VAL117 4.2 55.1 1.0 O C:THR118 4.9 32.0 1.0 CG2 C:THR118 4.9 31.4 1.0

Chlorine binding site 9 out of 22 in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 9 of Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl619 b:58.3 occ:1.00 NH1 C:ARG128 3.0 33.5 1.0 NE C:ARG134 3.4 98.8 1.0 CA C:GLN125 3.6 30.5 1.0 CG C:GLN125 3.6 46.1 1.0 CD C:ARG128 3.7 29.0 1.0 NH2 C:ARG134 4.0 98.8 1.0 CB C:GLN125 4.0 36.0 1.0 CB C:ARG128 4.0 33.8 1.0 CZ C:ARG128 4.1 36.0 1.0 CG C:ARG134 4.1 86.7 1.0 CZ C:ARG134 4.2 98.8 1.0 N C:GLN125 4.2 27.1 1.0 NE C:ARG128 4.3 32.3 1.0 CG C:ARG128 4.3 25.3 1.0 CD C:ARG134 4.3 98.8 1.0 O C:ILE124 4.5 33.1 1.0 O C:GLN125 4.6 33.0 1.0 C C:GLN125 4.6 33.6 1.0 C C:ILE124 4.6 31.4 1.0 CG2 C:ILE124 4.7 25.4 1.0 CG1 D:VAL57 4.9 23.2 1.0 CD C:GLN125 4.9 61.9 1.0

Chlorine binding site 10 out of 22 in the Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 10 of Crystal Structure of the Histone-Core-Octamer in Kcl/Phosphate within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl603 b:45.2 occ:1.00 N D:ILE46 3.2 29.5 1.0 NH1 D:ARG39 3.3 41.3 1.0 CA D:ARG45 3.8 30.8 1.0 CB D:ILE46 3.9 29.1 1.0 C D:ARG45 4.0 32.0 1.0 CG1 D:ILE46 4.0 30.4 1.0 NH2 D:ARG39 4.0 35.8 1.0 CA D:ILE46 4.0 30.3 1.0 CZ D:ARG39 4.1 39.0 1.0 O D:LYS44 4.1 33.4 1.0 O D:ILE46 4.2 39.3 1.0 CG D:ARG45 4.3 61.6 1.0 CD1 D:ILE46 4.3 33.1 1.0 CB D:ARG45 4.6 50.7 1.0 C D:ILE46 4.6 32.5 1.0 N D:ARG45 4.7 31.1 1.0 C D:LYS44 4.8 38.8 1.0

L.Chantalat, J.M.Nicholson, S.J.Lambert, A.J.Reid, M.J.Donovan, C.D.Reynolds, C.M.Wood, J.P.Baldwin. Structure of the Histone-Core Octamer in Kcl/Phosphate Crystals at 2.15 A Resolution. Acta Crystallogr.,Sect.D V. 59 1395 2003.
ISSN: ISSN 0907-4449
PubMed: 12876341
DOI: 10.1107/S0907444903011880