Chlorine in PDB 3n5u: Crystal Structure of An Rb C-Terminal Peptide Bound to the Catalytic Subunit of PP1

All present enzymatic activity of Crystal Structure of An Rb C-Terminal Peptide Bound to the Catalytic Subunit of PP1:
3.1.3.16;

The structure of Crystal Structure of An Rb C-Terminal Peptide Bound to the Catalytic Subunit of PP1, PDB code: 3n5u was solved by A.M.Hirschi, M.Cecchini, R.C.Steinhardt, F.A.Dick, S.M.Rubin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	83.00 / 3.20
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	92.946, 92.946, 192.381, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 26.1

The structure of Crystal Structure of An Rb C-Terminal Peptide Bound to the Catalytic Subunit of PP1 also contains other interesting chemical elements:

Manganese

(Mn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of An Rb C-Terminal Peptide Bound to the Catalytic Subunit of PP1 (pdb code 3n5u). 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 An Rb C-Terminal Peptide Bound to the Catalytic Subunit of PP1, PDB code: 3n5u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An Rb C-Terminal Peptide Bound to the Catalytic Subunit of PP1


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 An Rb C-Terminal Peptide Bound to the Catalytic Subunit of PP1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:45.2 occ:1.00 MN A:MN1 3.0 29.6 1.0 MN A:MN2 3.2 27.0 1.0 NH2 A:ARG96 3.4 48.3 1.0 NH1 A:ARG221 3.4 41.4 1.0 NE2 A:HIS125 3.7 41.3 1.0 O A:HIS248 4.0 36.0 1.0 ND2 A:ASN124 4.1 35.0 1.0 OH A:TYR272 4.1 50.3 1.0 CD2 A:HIS125 4.1 41.5 1.0 OD2 A:ASP92 4.3 36.7 1.0 CE1 A:HIS248 4.3 39.0 1.0 ND1 A:HIS248 4.4 38.1 1.0 CZ A:ARG221 4.6 38.3 1.0 CZ A:ARG96 4.6 52.8 1.0 NE2 A:HIS66 4.7 39.0 1.0 OD1 A:ASN124 4.8 33.3 1.0 CE1 A:HIS125 4.9 42.5 1.0 CG A:ASN124 4.9 35.7 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An Rb C-Terminal Peptide Bound to the Catalytic Subunit of PP1


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 An Rb C-Terminal Peptide Bound to the Catalytic Subunit of PP1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:39.4 occ:1.00 MN B:MN4 3.0 30.1 1.0 NE2 B:HIS125 3.1 42.6 1.0 ND2 B:ASN124 3.1 34.7 1.0 CD2 B:HIS125 3.4 41.4 1.0 NH2 B:ARG96 3.5 47.0 1.0 MN B:MN3 3.5 30.6 1.0 NH1 B:ARG221 3.6 42.4 1.0 CE1 B:HIS248 4.1 40.1 1.0 CG B:ASN124 4.1 36.1 1.0 OD2 B:ASP92 4.1 37.4 1.0 OD1 B:ASN124 4.2 33.9 1.0 CE1 B:HIS125 4.3 41.8 1.0 ND1 B:HIS248 4.3 38.4 1.0 O B:HIS248 4.6 37.2 1.0 OH B:TYR272 4.7 51.8 1.0 CG B:HIS125 4.8 36.8 1.0 CZ B:ARG96 4.8 52.4 1.0 CZ B:ARG221 4.8 40.0 1.0 NE2 B:HIS66 4.9 39.4 1.0

A.Hirschi, M.Cecchini, R.C.Steinhardt, M.R.Schamber, F.A.Dick, S.M.Rubin. An Overlapping Kinase and Phosphatase Docking Site Regulates Activity of the Retinoblastoma Protein. Nat.Struct.Mol.Biol. V. 17 1051 2010.
ISSN: ISSN 1545-9993
PubMed: 20694007
DOI: 10.1038/NSMB.1868