Chlorine in PDB 4us5: Crystal Structure of Apo-MSNO8

The structure of Crystal Structure of Apo-MSNO8, PDB code: 4us5 was solved by S.Maier, T.Pflueger, S.Loesgen, K.Asmus, E.Broetz, T.Paululat, A.Zeeck, S.Andrade, A.Bechthold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.05 / 1.80
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	85.005, 102.902, 160.697, 90.00, 90.00, 90.00
R / Rfree (%)	18.795 / 21.65

The structure of Crystal Structure of Apo-MSNO8 also contains other interesting chemical elements:

Sodium

(Na)

26 atoms

The binding sites of Chlorine atom in the Crystal Structure of Apo-MSNO8 (pdb code 4us5). 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 Crystal Structure of Apo-MSNO8, PDB code: 4us5:

Chlorine binding site 1 out of 1 in the Crystal Structure of Apo-MSNO8


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 Apo-MSNO8 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1342 b:31.7 occ:1.00 OG C:SER170 3.1 25.7 1.0 N C:ALA169 3.2 23.0 1.0 O C:HOH2091 3.3 50.3 1.0 O C:HOH2127 3.3 34.6 1.0 O C:HOH2093 3.3 36.7 1.0 CB C:SER170 3.7 26.4 1.0 CB C:SER173 3.8 24.8 1.0 OG C:SER173 3.8 24.0 1.0 CA C:GLY168 3.8 23.3 1.0 N C:SER170 3.9 22.0 1.0 C C:ALA169 3.9 23.1 1.0 CA C:ALA169 4.0 23.3 1.0 C C:GLY168 4.0 23.7 1.0 CG C:ARG107 4.2 40.0 1.0 NE C:ARG107 4.3 43.8 1.0 CB C:ALA169 4.3 26.1 1.0 CA C:SER170 4.4 25.9 1.0 O C:ALA169 4.5 25.8 1.0 O C:HOH2101 4.5 32.9 1.0 O C:HOH2086 4.6 30.2 1.0 CB C:ARG107 4.7 32.7 1.0 CD C:ARG107 4.8 42.1 1.0 C6 C:P4G1345 4.9 59.1 1.0 O4 C:P4G1345 4.9 64.1 1.0

S.Maier, T.Pflueger, S.Loesgen, K.Asmus, E.Broetz, T.Paululat, A.Zeeck, S.Andrade, A.Bechthold. Insights Into the Bioactivity of Mensacarcin and Epoxide Formation By MSNO8. Chembiochem V. 15 749 2014.
ISSN: ISSN 1439-4227
PubMed: 24554499
DOI: 10.1002/CBIC.201300704