Chlorine in PDB 4mzf: Crystal Structure of Human SPINDLIN1 Bound to Histone H3(K4ME3-R8ME2A) Peptide

The structure of Crystal Structure of Human SPINDLIN1 Bound to Histone H3(K4ME3-R8ME2A) Peptide, PDB code: 4mzf was solved by X.Su, X.Ding, H.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.78 / 2.10
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	120.679, 43.309, 50.150, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 25.5

The structure of Crystal Structure of Human SPINDLIN1 Bound to Histone H3(K4ME3-R8ME2A) Peptide also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Human SPINDLIN1 Bound to Histone H3(K4ME3-R8ME2A) Peptide (pdb code 4mzf). 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 SPINDLIN1 Bound to Histone H3(K4ME3-R8ME2A) Peptide, PDB code: 4mzf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Human SPINDLIN1 Bound to Histone H3(K4ME3-R8ME2A) Peptide


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 SPINDLIN1 Bound to Histone H3(K4ME3-R8ME2A) Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:28.3 occ:1.00 O B:HOH458 3.2 22.4 1.0 O B:HOH463 3.2 25.7 1.0 N B:ARG152 3.2 18.7 1.0 NZ B:LYS172 3.3 41.7 1.0 O B:HOH447 3.6 26.0 1.0 CD B:LYS172 3.7 33.1 1.0 CB B:ARG152 3.8 20.6 1.0 CA B:TRP151 3.9 23.2 1.0 CE B:LYS172 4.0 46.7 1.0 O B:GLU150 4.0 31.4 1.0 C B:TRP151 4.1 23.6 1.0 CA B:ARG152 4.1 20.4 1.0 CG B:LYS172 4.3 34.2 1.0 MG B:MG303 4.5 26.7 0.5 O B:HOH464 4.6 35.4 1.0 O B:HOH468 4.6 47.5 1.0 O B:ARG152 4.7 16.8 1.0 CB B:LYS172 4.7 31.0 1.0 CB B:TRP151 4.8 20.8 1.0 C B:GLU150 4.9 28.5 1.0 N B:TRP151 4.9 22.8 1.0 C B:ARG152 4.9 21.5 1.0 CE3 B:TRP151 5.0 25.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Human SPINDLIN1 Bound to Histone H3(K4ME3-R8ME2A) Peptide


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 SPINDLIN1 Bound to Histone H3(K4ME3-R8ME2A) Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:36.8 occ:1.00 O B:HOH413 2.9 25.4 1.0 N B:GLU237 3.2 30.1 1.0 NE2 B:HIS234 3.4 24.4 1.0 CB B:GLU237 3.7 36.8 1.0 CB B:ALA157 4.0 20.2 1.0 CA B:VAL236 4.0 26.7 1.0 CA B:GLU237 4.1 32.4 1.0 C B:VAL236 4.1 31.7 1.0 CE1 B:HIS234 4.1 25.1 1.0 OE1 B:GLU237 4.3 58.8 1.0 O B:GLN235 4.3 25.3 1.0 O B:HOH459 4.3 38.6 1.0 CG1 B:VAL236 4.4 26.1 1.0 CD2 B:HIS234 4.4 24.1 1.0 O B:LEU156 4.6 23.7 1.0 CG B:GLU237 4.7 47.1 1.0 CB B:VAL236 4.7 28.7 1.0 CD B:GLU237 4.7 56.8 1.0 N B:ALA238 4.9 33.9 1.0 O B:HOH470 4.9 30.1 1.0

X.Su, G.Zhu, X.Ding, S.Y.Lee, Y.Dou, B.Zhu, W.Wu, H.Li. Molecular Basis Underlying Histone H3 Lysine-Arginine Methylation Pattern Readout By Spin/Ssty Repeats of SPINDLIN1 Genes Dev. V. 28 622 2014.
ISSN: ISSN 0890-9369
PubMed: 24589551
DOI: 10.1101/GAD.233239.113