Chlorine in PDB 2xe4: Structure of Oligopeptidase B From Leishmania Major

All present enzymatic activity of Structure of Oligopeptidase B From Leishmania Major:
3.4.21.83;

The structure of Structure of Oligopeptidase B From Leishmania Major, PDB code: 2xe4 was solved by K.Mcluskey, N.G.Paterson, N.D.Bland, J.C.Mottram, N.W.Isaacs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	117.85 / 1.65
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	95.478, 142.776, 208.919, 90.00, 90.00, 90.00
R / Rfree (%)	14 / 17.8

The structure of Structure of Oligopeptidase B From Leishmania Major also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Chlorine atom in the Structure of Oligopeptidase B From Leishmania Major (pdb code 2xe4). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Oligopeptidase B From Leishmania Major, PDB code: 2xe4:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Oligopeptidase B From Leishmania Major


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Oligopeptidase B From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1794 b:45.5 occ:1.00 O A:HOH2204 3.0 45.9 1.0 O A:HOH2309 3.0 59.2 1.0 O A:HOH2151 3.2 43.1 1.0 N A:TRP208 3.2 37.0 1.0 CD1 A:TRP208 3.7 38.5 1.0 CB A:TRP208 3.9 37.8 1.0 CA A:VAL207 4.0 35.8 1.0 C A:VAL207 4.1 37.7 1.0 O1 A:PGR1753 4.1 67.1 1.0 CD A:LYS160 4.1 42.0 1.0 CA A:TRP208 4.1 38.5 1.0 CG A:TRP208 4.2 37.6 1.0 O A:ILE206 4.3 33.8 1.0 CB A:LYS160 4.4 38.3 1.0 NZ A:LYS258 4.5 48.3 1.0 NZ A:LYS160 4.5 44.0 1.0 C1 A:PGR1753 4.5 69.5 1.0 CG A:LYS160 4.5 39.4 1.0 CG1 A:VAL207 4.6 35.7 1.0 OH A:TYR105 4.6 51.5 1.0 O A:TRP208 4.7 41.3 1.0 O A:HOH2152 4.8 59.5 1.0 C2 A:PGR1753 4.8 69.7 1.0 CB A:VAL207 4.9 36.0 1.0 CE A:LYS160 4.9 43.9 1.0 CE A:LYS258 4.9 46.6 1.0 N A:VAL207 4.9 34.5 1.0 O A:PRO161 4.9 41.9 1.0 NE1 A:TRP208 5.0 38.6 1.0 C A:TRP208 5.0 40.9 1.0 C A:ILE206 5.0 36.5 1.0

Chlorine binding site 2 out of 4 in the Structure of Oligopeptidase B From Leishmania Major


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Oligopeptidase B From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1796 b:46.7 occ:1.00 O A:HOH2173 3.0 40.3 1.0 O A:HOH2194 3.0 35.8 1.0 O A:HOH2659 3.1 49.2 1.0 N A:LYS121 3.2 35.9 1.0 CB A:LYS121 3.7 36.9 1.0 CB A:TYR120 3.8 33.5 1.0 CG A:LYS121 3.8 38.8 1.0 CG1 A:VAL144 3.9 36.1 1.0 CD1 A:TYR120 3.9 37.1 1.0 CA A:TYR120 3.9 36.8 1.0 CB A:VAL144 4.0 37.2 1.0 CA A:LYS121 4.0 38.0 1.0 C A:TYR120 4.1 37.0 1.0 O A:HOH2197 4.1 47.7 1.0 CD A:LYS121 4.1 45.2 1.0 CG2 A:VAL144 4.1 36.8 1.0 CG A:TYR120 4.3 34.4 1.0 O A:HOH2161 4.5 45.8 1.0 O A:HOH2689 4.7 67.0 1.0 O A:LYS121 4.8 38.7 1.0 CE A:LYS121 4.8 47.3 1.0 C A:LYS121 4.9 37.2 1.0

Chlorine binding site 3 out of 4 in the Structure of Oligopeptidase B From Leishmania Major


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Oligopeptidase B From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1798 b:42.3 occ:1.00 ND1 A:HIS312 2.9 50.8 1.0 ND1 A:HIS308 3.0 35.4 1.0 N A:PHE385 3.3 37.1 1.0 CD2 A:PHE385 3.6 37.6 1.0 CE1 A:HIS312 3.7 47.8 1.0 CD1 A:ILE329 3.8 51.1 1.0 CE1 A:HIS308 3.8 36.3 1.0 CG1 A:VAL384 3.9 42.8 1.0 CG A:HIS312 3.9 43.2 1.0 CA A:VAL384 4.0 38.0 1.0 C3 A:PGR1744 4.0 48.4 1.0 CB A:PHE385 4.1 37.8 1.0 CG A:HIS308 4.1 34.8 1.0 C A:VAL384 4.1 37.1 1.0 CB A:HIS312 4.2 38.1 1.0 O2 A:PGR1744 4.2 49.6 1.0 CG A:PHE385 4.3 38.2 1.0 CA A:PHE385 4.3 38.5 1.0 CG2 A:ILE329 4.3 40.6 1.0 CB A:HIS308 4.4 34.5 1.0 CB A:VAL384 4.4 37.6 1.0 CE2 A:PHE385 4.5 38.8 1.0 O A:PHE385 4.6 41.8 1.0 C2 A:PGR1744 4.7 53.2 1.0 O A:GLY383 4.7 38.5 1.0 CG2 A:VAL384 4.8 41.7 1.0 NE2 A:HIS312 5.0 48.7 1.0

Chlorine binding site 4 out of 4 in the Structure of Oligopeptidase B From Leishmania Major


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Oligopeptidase B From Leishmania Major within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1799 b:66.7 occ:1.00 O A:HOH2094 2.9 0.9 1.0 O A:HOH2093 2.9 37.2 1.0 ND2 A:ASN66 3.1 40.7 1.0 CA A:GLU63 3.5 33.5 1.0 CB A:GLU63 3.9 33.5 1.0 N A:GLU63 3.9 32.7 1.0 CG A:ASN66 4.1 38.0 1.0 CB A:ASN66 4.2 36.0 1.0 C A:ILE62 4.3 32.7 1.0 O A:ILE62 4.3 32.1 1.0 CG2 A:ILE62 4.3 34.0 1.0 CG A:GLU63 4.5 31.4 1.0 C A:GLU63 4.7 33.0 1.0 O A:HOH2019 4.7 67.6 1.0 O A:HOH2038 4.8 60.3 1.0 O A:GLU63 4.9 34.0 1.0 O A:PRO59 5.0 32.9 1.0 O A:HOH2097 5.0 62.6 1.0 O A:HOH2042 5.0 58.5 1.0

K.Mcluskey, N.G.Paterson, N.D.Bland, N.W.Isaacs, J.C.Mottram. Crystal Structure of Leishmania Major Oligopeptidase B Gives Insight Into the Enzymatic Properties of A Trypanosomatid Virulence Factor. J.Biol.Chem. V. 285 39249 2010.
ISSN: ISSN 0021-9258
PubMed: 20926390
DOI: 10.1074/JBC.M110.156679