Chlorine in PDB 2oqz: The Crystal Structure of Sortase B From B.Anthracis in Complex with AAEK2

All present enzymatic activity of The Crystal Structure of Sortase B From B.Anthracis in Complex with AAEK2:
3.4.22.51;

The structure of The Crystal Structure of Sortase B From B.Anthracis in Complex with AAEK2, PDB code: 2oqz was solved by R.Wu, R.Zhang, A.W.Maresso, O.Schneewind, A.Joachimiak, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.14 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.490, 64.964, 43.653, 90.00, 105.06, 90.00
R / Rfree (%)	19.1 / 22.6

The binding sites of Chlorine atom in the The Crystal Structure of Sortase B From B.Anthracis in Complex with AAEK2 (pdb code 2oqz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the The Crystal Structure of Sortase B From B.Anthracis in Complex with AAEK2, PDB code: 2oqz:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the The Crystal Structure of Sortase B From B.Anthracis in Complex with AAEK2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of Sortase B From B.Anthracis in Complex with AAEK2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl233 b:44.8 occ:0.50 CL1D A:CS4233 0.0 44.8 0.5 C1O A:CS4233 1.7 44.3 0.5 C1G A:CS4233 2.6 44.2 0.5 C1P A:CS4233 2.7 44.4 0.5 CD2 A:TYR191 3.1 25.1 0.5 CL1E A:CS4233 3.4 44.6 0.5 CE2 A:TYR191 3.6 26.0 0.5 C1H A:CS4233 3.8 44.4 0.5 CD1 A:TYR191 3.9 24.5 0.5 C1I A:CS4233 4.0 44.4 0.5 NH2 A:ARG125 4.0 18.6 1.0 CE1 A:TYR191 4.0 23.9 0.5 CG A:TYR191 4.1 24.2 0.5 CZ A:ARG125 4.4 18.9 1.0 C1Q A:CS4233 4.4 43.9 0.5 ND2 A:ASN102 4.5 19.2 1.0 CB A:TYR191 4.5 23.4 0.5 NH1 A:ARG125 4.8 19.4 1.0 CZ A:TYR191 4.9 25.1 0.5 NE A:ARG125 4.9 17.0 1.0

Chlorine binding site 2 out of 2 in the The Crystal Structure of Sortase B From B.Anthracis in Complex with AAEK2


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Crystal Structure of Sortase B From B.Anthracis in Complex with AAEK2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl233 b:44.6 occ:0.50 CL1E A:CS4233 0.0 44.6 0.5 C1P A:CS4233 1.8 44.4 0.5 C1I A:CS4233 2.7 44.4 0.5 C1O A:CS4233 2.8 44.3 0.5 O A:HOH793 3.3 21.7 1.0 CL1D A:CS4233 3.4 44.8 0.5 ND2 A:ASN102 3.4 19.2 1.0 O A:HOH822 3.6 35.0 1.0 CB A:ASN102 3.8 17.9 1.0 C1Q A:CS4233 4.0 43.9 0.5 C1G A:CS4233 4.1 44.2 0.5 CG A:ASN102 4.1 19.6 1.0 O A:HOH792 4.3 35.1 1.0 C1H A:CS4233 4.5 44.4 0.5 CE2 A:TYR124 4.5 17.8 1.0 N A:ASN102 5.0 17.2 1.0 CA A:ASN102 5.0 18.1 1.0 CE2 A:TYR191 5.0 26.0 0.5 O A:HOH764 5.0 21.2 1.0

A.W.Maresso, R.Wu, J.W.Kern, R.Zhang, D.Janik, D.M.Missiakas, M.E.Duban, A.Joachimiak, O.Schneewind. Activation of Inhibitors By Sortase Triggers Irreversible Modification of the Active Site. J.Biol.Chem. V. 282 23129 2007.
ISSN: ISSN 0021-9258
PubMed: 17545669
DOI: 10.1074/JBC.M701857200