Chlorine in PDB 3kur: Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein

The structure of Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein, PDB code: 3kur was solved by G.Kozlov, K.Gehring, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.50
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	146.977, 146.977, 83.055, 90.00, 90.00, 90.00
R / Rfree (%)	21.6 / 27.2

The binding sites of Chlorine atom in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein (pdb code 3kur). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein, PDB code: 3kur:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein


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 Mlle Domain of Poly(A)-Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3 b:53.1 occ:1.00 OG1 A:THR576 2.7 34.9 1.0 N A:THR576 3.6 32.4 1.0 ND1 A:HIS574 3.8 29.3 1.0 CA A:HIS574 3.8 30.4 1.0 CB A:THR576 3.9 33.4 1.0 C A:HIS574 3.9 30.8 1.0 CB A:HIS574 4.0 29.3 1.0 N A:PRO575 4.1 31.1 1.0 CD A:PRO575 4.2 30.8 1.0 CA A:THR576 4.2 33.1 1.0 N A:LEU577 4.3 32.3 1.0 CG A:HIS574 4.4 29.9 1.0 CG A:PRO575 4.5 31.7 1.0 O A:HIS574 4.5 32.0 1.0 CG2 A:THR576 4.5 32.7 1.0 C A:PRO575 4.6 32.1 1.0 C A:THR576 4.7 32.9 1.0 CG A:LEU577 4.8 33.0 1.0 CA A:PRO575 4.9 31.6 1.0 CE1 A:HIS574 4.9 28.6 1.0

Chlorine binding site 2 out of 5 in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein


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 Mlle Domain of Poly(A)-Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl5 b:62.0 occ:1.00 N E:ASN590 3.2 21.1 1.0 NZ B:LYS580 3.2 29.0 1.0 CA E:ASP589 3.5 23.0 1.0 CE B:LYS580 3.5 29.4 1.0 CG E:ASN590 3.7 17.8 1.0 OD1 E:ASN590 3.7 12.9 1.0 CB E:ASP589 3.8 24.3 1.0 C E:ASP589 3.8 22.1 1.0 O E:HOH59 3.9 42.5 1.0 CB E:ASN590 4.1 19.1 1.0 ND2 E:ASN590 4.1 16.8 1.0 CA E:ASN590 4.2 19.3 1.0 NZ E:LYS559 4.3 20.6 1.0 N E:ASP589 4.6 22.1 1.0 O E:ILE588 4.7 21.0 1.0 CD B:LYS580 5.0 26.6 1.0 CE E:LYS559 5.0 19.9 1.0

Chlorine binding site 3 out of 5 in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein


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 Mlle Domain of Poly(A)-Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl2 b:62.1 occ:1.00 OG1 E:THR576 2.9 31.7 1.0 ND1 E:HIS574 3.8 26.5 1.0 N E:THR576 4.0 27.8 1.0 CA E:HIS574 4.0 25.7 1.0 CB E:THR576 4.0 29.5 1.0 CB E:HIS574 4.1 25.6 1.0 CG2 E:THR576 4.2 28.4 1.0 C E:HIS574 4.2 25.6 1.0 N E:PRO575 4.3 25.7 1.0 CD E:PRO575 4.3 25.2 1.0 N E:LEU577 4.3 28.2 1.0 CG E:LEU577 4.4 28.3 1.0 CG E:HIS574 4.4 25.4 1.0 CA E:THR576 4.5 28.6 1.0 CD1 E:LEU577 4.6 26.9 1.0 O E:HIS574 4.7 24.8 1.0 CE1 E:HIS574 4.9 27.1 1.0 CB E:LEU577 4.9 27.3 1.0 C E:THR576 4.9 29.0 1.0 C E:PRO575 5.0 27.1 1.0

Chlorine binding site 4 out of 5 in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein


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 Mlle Domain of Poly(A)-Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl1 b:67.3 occ:1.00 O G:HOH75 2.3 56.5 1.0 OG1 G:THR576 2.5 39.9 1.0 N G:THR576 3.5 38.0 1.0 ND1 G:HIS574 3.7 38.1 1.0 CB G:THR576 3.8 38.0 1.0 CA G:THR576 4.1 37.8 1.0 C G:HIS574 4.1 37.9 1.0 N G:PRO575 4.3 38.3 1.0 O G:HIS574 4.3 39.1 1.0 CE1 G:HIS574 4.3 40.7 1.0 N G:LEU577 4.4 34.7 1.0 CD G:PRO575 4.5 38.3 1.0 CA G:HIS574 4.6 36.8 1.0 CG2 G:THR576 4.6 38.7 1.0 C G:PRO575 4.6 38.4 1.0 CG G:HIS574 4.7 37.4 1.0 C G:THR576 4.7 36.6 1.0 CA G:PRO575 4.9 38.4 1.0 CB G:HIS574 4.9 36.5 1.0

Chlorine binding site 5 out of 5 in the Crystal Structure of the Mlle Domain of Poly(A)-Binding Protein


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 Mlle Domain of Poly(A)-Binding Protein within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl4 b:56.1 occ:1.00 OG1 H:THR576 3.0 35.4 1.0 ND1 H:HIS574 3.9 30.2 1.0 CA H:HIS574 4.1 30.9 1.0 CB H:HIS574 4.1 30.7 1.0 N H:THR576 4.1 33.8 1.0 C H:HIS574 4.2 31.6 1.0 CD H:PRO575 4.3 32.2 1.0 CB H:THR576 4.3 34.8 1.0 N H:PRO575 4.3 32.3 1.0 CD2 H:LEU577 4.5 28.3 1.0 CG H:HIS574 4.5 30.4 1.0 N H:LEU577 4.6 32.7 1.0 CA H:THR576 4.7 34.1 1.0 O H:HIS574 4.7 32.4 1.0 CE1 H:HIS574 5.0 29.5 1.0

G.Kozlov, M.Menade, A.Rosenauer, L.Nguyen, K.Gehring. Molecular Determinants of PAM2 Recognition By the Mlle Domain of Poly(A)-Binding Protein. J.Mol.Biol. V. 397 397 2010.
ISSN: ISSN 0022-2836
PubMed: 20096703
DOI: 10.1016/J.JMB.2010.01.032