Chlorine in PDB 2aij: Formylglycine Generating Enzyme C336S Mutant Covalently Bound to Substrate Peptide Ctpsr

The structure of Formylglycine Generating Enzyme C336S Mutant Covalently Bound to Substrate Peptide Ctpsr, PDB code: 2aij was solved by D.Roeser, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.50 / 1.55
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	61.640, 109.592, 43.456, 90.00, 90.00, 90.00
R / Rfree (%)	14.4 / 17.8

The structure of Formylglycine Generating Enzyme C336S Mutant Covalently Bound to Substrate Peptide Ctpsr also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Formylglycine Generating Enzyme C336S Mutant Covalently Bound to Substrate Peptide Ctpsr (pdb code 2aij). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Formylglycine Generating Enzyme C336S Mutant Covalently Bound to Substrate Peptide Ctpsr, PDB code: 2aij:

Chlorine binding site 1 out of 1 in the Formylglycine Generating Enzyme C336S Mutant Covalently Bound to Substrate Peptide Ctpsr


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Formylglycine Generating Enzyme C336S Mutant Covalently Bound to Substrate Peptide Ctpsr within 5.0Å range: probe atom residue distance (Å) B Occ X:Cl1003 b:21.6 occ:1.00 OG X:SER333 3.0 17.9 1.0 O X:HOH1258 3.1 37.6 1.0 NE1 X:TRP299 3.2 17.6 1.0 OG X:SER336 3.2 16.8 1.0 ND2 X:ASN360 3.6 17.5 1.0 CB X:MET335 3.7 16.4 0.2 CB P:CYS69 3.7 36.5 1.0 SG X:CYS341 3.7 28.0 1.0 CB X:MET335 3.8 15.9 0.8 N X:SER336 3.8 14.8 1.0 CB X:SER333 4.0 16.4 1.0 O P:CYS69 4.0 34.4 1.0 CD1 X:TRP299 4.0 16.2 1.0 OH X:TYR340 4.1 24.5 0.5 CA X:SER336 4.1 15.3 1.0 C X:MET335 4.1 16.5 1.0 CE2 X:TRP299 4.1 15.8 1.0 CB X:SER336 4.2 15.7 1.0 N X:SER333 4.3 15.1 1.0 CA P:CYS69 4.4 36.6 1.0 CA X:MET335 4.4 16.4 1.0 CB X:CYS341 4.5 25.4 1.0 CZ2 X:TRP299 4.5 17.0 1.0 SG P:CYS69 4.5 37.6 1.0 C P:CYS69 4.6 35.6 1.0 O X:MET335 4.6 19.3 1.0 CA X:SER333 4.7 15.7 1.0 N X:MET335 4.7 15.4 1.0 CG X:MET335 4.7 17.7 0.2 CG X:ASN360 4.8 15.4 1.0 CG X:MET335 4.9 17.3 0.8 CZ X:TYR340 5.0 24.1 0.5 O X:SER333 5.0 14.7 1.0 SD X:MET335 5.0 17.4 0.8

D.Roeser, A.Preusser-Kunze, B.Schmidt, K.Gasow, J.G.Wittmann, T.Dierks, K.Von Figura, M.G.Rudolph. A General Binding Mechanism For All Human Sulfatases By the Formylglycine-Generating Enzyme Proc.Natl.Acad.Sci.Usa V. 103 81 2006.
ISSN: ISSN 0027-8424
PubMed: 16368756
DOI: 10.1073/PNAS.0507592102