Chlorine in PDB 2rje: Crystal Structure of L3MBTL1 in Complex with H4K20ME2 (Residues 17- 25), Orthorhombic Form II

The structure of Crystal Structure of L3MBTL1 in Complex with H4K20ME2 (Residues 17- 25), Orthorhombic Form II, PDB code: 2rje was solved by A.Allali-Hassani, Y.Liu, N.Herzanych, H.Ouyang, F.Mackenzie, L.Crombet, P.Loppnau, I.Kozieradzki, M.Vedadi, J.Weigelt, M.Sundstrom, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, J.R.Min, Structural Genomicsconsortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.48 / 1.86
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	109.894, 124.640, 90.031, 90.00, 90.00, 90.00
R / Rfree (%)	19.1 / 23.1

The binding sites of Chlorine atom in the Crystal Structure of L3MBTL1 in Complex with H4K20ME2 (Residues 17- 25), Orthorhombic Form II (pdb code 2rje). 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 L3MBTL1 in Complex with H4K20ME2 (Residues 17- 25), Orthorhombic Form II, PDB code: 2rje:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of L3MBTL1 in Complex with H4K20ME2 (Residues 17- 25), Orthorhombic Form II


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 L3MBTL1 in Complex with H4K20ME2 (Residues 17- 25), Orthorhombic Form II within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl601 b:48.9 occ:1.00 N A:SER276 3.4 26.5 1.0 NE2 A:HIS279 3.6 34.4 1.0 CB A:SER276 3.7 26.3 1.0 CD2 A:HIS279 4.0 31.2 1.0 CD1 A:TYR275 4.1 29.8 1.0 CA A:SER276 4.1 26.0 1.0 CB A:TYR275 4.2 25.9 1.0 CA A:TYR275 4.2 25.2 1.0 C A:TYR275 4.2 25.7 1.0 CD A:LYS307 4.6 37.8 1.0 CG A:TYR275 4.6 27.0 1.0 CE1 A:HIS279 4.8 32.9 1.0 OG A:SER276 5.0 27.9 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of L3MBTL1 in Complex with H4K20ME2 (Residues 17- 25), Orthorhombic Form II


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 L3MBTL1 in Complex with H4K20ME2 (Residues 17- 25), Orthorhombic Form II within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl602 b:40.4 occ:1.00 O C:HOH1217 2.4 48.9 1.0 N C:SER276 3.3 24.8 1.0 NE2 C:HIS279 3.4 26.8 1.0 CB C:SER276 3.7 26.2 1.0 NZ C:LYS307 3.7 36.5 1.0 CD1 C:TYR275 3.8 27.6 1.0 CD2 C:HIS279 3.9 24.4 1.0 CA C:TYR275 4.1 23.1 1.0 CA C:SER276 4.1 25.1 1.0 CB C:TYR275 4.1 23.5 1.0 O C:HOH1115 4.1 37.0 1.0 C C:TYR275 4.2 23.2 1.0 CG C:TYR275 4.5 24.7 1.0 CD C:LYS307 4.5 31.9 1.0 CE1 C:HIS279 4.6 29.4 1.0 CE C:LYS307 4.7 36.5 1.0 CE1 C:TYR275 4.8 29.9 1.0 OG C:SER276 5.0 29.4 1.0

J.Min, A.Allali-Hassani, N.Nady, C.Qi, H.Ouyang, Y.Liu, F.Mackenzie, M.Vedadi, C.H.Arrowsmith. L3MBTL1 Recognition of Mono- and Dimethylated Histones. Nat.Struct.Mol.Biol. V. 14 1229 2007.
ISSN: ISSN 1545-9993
PubMed: 18026117
DOI: 10.1038/NSMB1340