Chlorine in PDB 6kdr: Crystal Structure of Human NRMT2 in Complex with Human Centromere Protein B Peptide

All present enzymatic activity of Crystal Structure of Human NRMT2 in Complex with Human Centromere Protein B Peptide:
2.1.1.299;

The structure of Crystal Structure of Human NRMT2 in Complex with Human Centromere Protein B Peptide, PDB code: 6kdr was solved by Y.Yue, H.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.47 / 2.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	70.548, 96.534, 100.213, 90.00, 90.00, 90.00
R / Rfree (%)	17.8 / 20.5

The binding sites of Chlorine atom in the Crystal Structure of Human NRMT2 in Complex with Human Centromere Protein B Peptide (pdb code 6kdr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Human NRMT2 in Complex with Human Centromere Protein B Peptide, PDB code: 6kdr:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Human NRMT2 in Complex with Human Centromere Protein B 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 NRMT2 in Complex with Human Centromere Protein B Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:75.7 occ:1.00 N A:VAL256 3.3 55.0 1.0 NH1 A:ARG246 3.4 72.4 1.0 CG2 A:VAL256 3.6 60.6 1.0 CB A:VAL256 3.7 61.3 1.0 CG1 A:VAL255 4.0 60.9 1.0 CA A:VAL256 4.1 57.4 1.0 CA A:VAL255 4.1 61.3 1.0 C A:VAL255 4.2 57.1 1.0 CZ A:ARG246 4.4 71.1 1.0 NH2 A:ARG246 4.6 74.7 1.0 CB A:VAL255 4.7 62.8 1.0 O A:VAL256 4.7 63.1 1.0 O A:LEU254 4.8 58.3 1.0 C A:VAL256 4.9 63.3 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Human NRMT2 in Complex with Human Centromere Protein B 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 NRMT2 in Complex with Human Centromere Protein B Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl304 b:48.2 occ:1.00 N B:ARG226 3.2 46.7 1.0 O E:HOH203 3.2 45.9 1.0 CG B:ARG226 3.5 50.1 1.0 CB B:ARG226 3.8 52.1 1.0 CA B:ALA225 3.8 38.5 1.0 CG1 B:ILE270 3.8 32.6 1.0 CD B:PRO271 3.9 31.7 1.0 CD B:ARG226 4.0 62.8 1.0 C B:ALA225 4.0 44.6 1.0 CA B:ARG226 4.1 50.7 1.0 CG2 B:ILE270 4.2 29.8 1.0 CB B:ILE270 4.3 30.3 1.0 CA B:ILE270 4.4 33.0 1.0 CB B:ALA225 4.4 40.4 1.0 CB E:ARG5 4.5 39.0 1.0 O B:VAL224 4.6 32.1 1.0 CD1 B:ILE270 4.9 32.0 1.0 CG B:PRO271 4.9 36.5 1.0 N B:ALA225 4.9 36.5 1.0 N B:PRO271 5.0 30.5 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Human NRMT2 in Complex with Human Centromere Protein B Peptide


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 Human NRMT2 in Complex with Human Centromere Protein B Peptide within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl101 b:52.4 occ:1.00 O E:HOH201 2.2 69.2 1.0 N E:THR8 3.1 44.3 1.0 OG1 E:THR8 3.3 57.5 1.0 CA E:LEU7 3.6 45.0 1.0 O E:THR8 3.8 41.2 1.0 C E:LEU7 3.9 43.5 1.0 CB E:LEU7 4.0 41.7 1.0 CD2 E:LEU7 4.0 45.2 1.0 CA E:THR8 4.1 48.0 1.0 NH2 E:ARG5 4.2 56.1 1.0 CB E:THR8 4.2 50.0 1.0 C E:THR8 4.4 43.1 1.0 O E:GLN6 4.6 38.4 1.0 CG2 E:THR8 4.6 51.1 1.0 CG E:LEU7 4.7 42.4 1.0 N E:LEU7 4.9 42.1 1.0

R.Wu, Y.Yue, X.Zheng, H.Li. Substrate-Enzyme Engagement Regulates State-Specific Alpha-N Methylation of NRMT2 To Be Published.