Chlorine in PDB 2hi8: Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization

The structure of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization, PDB code: 2hi8 was solved by M.G.Rudolph, D.Roeser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.20 / 1.64
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	61.158, 108.792, 43.057, 90.00, 90.00, 90.00
R / Rfree (%)	15.3 / 19.1

The structure of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization also contains other interesting chemical elements:

Bromine	(Br)	15 atoms
Calcium	(Ca)	2 atoms

The binding sites of Chlorine atom in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization (pdb code 2hi8). 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 Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization, PDB code: 2hi8:

Chlorine binding site 1 out of 1 in the Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Formylglycine Generating Enzyme, C336S Mutant, Bromide Co- Crystallization within 5.0Å range: probe atom residue distance (Å) B Occ X:Cl1018 b:12.0 occ:0.50 BR X:BR1001 0.0 19.9 0.5 O X:HOH1318 2.9 36.3 1.0 OG X:SER333 3.1 9.6 1.0 OG X:SER336 3.2 11.2 1.0 NE1 X:TRP299 3.3 11.3 1.0 SG X:CYS341 3.4 27.0 1.0 ND2 X:ASN360 3.7 12.0 1.0 N X:SER336 3.8 10.5 1.0 CB P:CYS1 3.8 30.3 0.5 CB X:MET335 3.9 10.8 1.0 OH X:TYR340 3.9 22.2 0.5 O P:CYS1 4.0 30.0 0.5 O P:HOH423 4.0 25.8 0.5 C X:MET335 4.1 10.8 1.0 CA X:SER336 4.1 11.1 1.0 CB X:SER333 4.1 9.5 1.0 CE2 X:TRP299 4.2 10.6 1.0 CD1 X:TRP299 4.2 10.5 1.0 O P:HOH428 4.2 31.8 0.5 CB X:SER336 4.2 11.2 1.0 CB X:CYS341 4.2 21.5 1.0 N X:SER333 4.3 9.7 1.0 CA P:CYS1 4.3 30.3 0.5 CZ2 X:TRP299 4.4 11.7 1.0 CA X:MET335 4.4 10.7 1.0 SG P:CYS1 4.4 31.3 0.5 O X:MET335 4.5 11.2 1.0 C P:CYS1 4.6 29.9 0.5 N X:MET335 4.7 10.4 1.0 CA X:SER333 4.7 9.5 1.0 CZ X:TYR340 4.8 22.1 0.5 CG X:ASN360 4.9 10.0 1.0 O X:SER333 5.0 8.7 1.0

D.Roeser, B.Schmidt, A.Preusser-Kunze, M.G.Rudolph. Probing the Oxygen-Binding Site of the Human Formylglycine-Generating Enzyme Using Halide Ions. Acta Crystallogr.,Sect.D V. 63 621 2007.
ISSN: ISSN 0907-4449
PubMed: 17452787
DOI: 10.1107/S0907444907009961