Chlorine in PDB 1rxe: Arsc Complexed with Mnb

All present enzymatic activity of Arsc Complexed with Mnb:
1.20.4.1;

The structure of Arsc Complexed with Mnb, PDB code: 1rxe was solved by J.Messens, I.Van Molle, P.Vanhaesebrouck, M.Limbourg, K.Vanbelle, K.Wahni, J.C.Martins, R.Loris, L.Wyns, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 1.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.146, 34.377, 102.325, 90.00, 90.00, 90.00
R / Rfree (%)	19.5 / 21.2

The structure of Arsc Complexed with Mnb also contains other interesting chemical elements:

Potassium

(K)

1 atom

The binding sites of Chlorine atom in the Arsc Complexed with Mnb (pdb code 1rxe). 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 Arsc Complexed with Mnb, PDB code: 1rxe:

Chlorine binding site 1 out of 1 in the Arsc Complexed with Mnb


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Arsc Complexed with Mnb within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl153 b:14.4 occ:1.00 CL A:LCP153 0.0 14.4 1.0 O4 A:LCP153 1.5 13.9 1.0 O1 A:LCP153 1.5 11.8 1.0 O2 A:LCP153 1.5 12.9 1.0 O3 A:LCP153 1.5 14.6 1.0 O A:GLY12 3.3 15.4 1.0 OG A:SER10 3.4 13.6 1.0 O A:HOH201 3.6 20.0 1.0 N A:ARG16 3.6 11.3 1.0 N A:ALA15 3.7 11.1 1.0 NE A:ARG16 3.7 11.2 1.0 CB A:SER10 3.9 10.9 1.0 C A:GLY12 3.9 15.3 1.0 NH2 A:ARG16 3.9 10.6 1.0 OG A:SER17 4.0 13.5 1.0 CB A:ARG16 4.0 9.9 1.0 N A:GLY12 4.0 15.1 1.0 N A:SER17 4.1 11.6 1.0 N A:SER14 4.1 11.6 1.0 CA A:ARG16 4.3 11.6 1.0 C A:ALA15 4.3 11.2 1.0 CZ A:ARG16 4.3 12.8 1.0 CA A:ALA15 4.3 11.3 1.0 CA A:GLY12 4.3 14.8 1.0 O A:HOH279 4.4 34.4 1.0 CB A:ALA15 4.5 13.1 1.0 CG A:ARG16 4.6 14.2 1.0 C A:SER14 4.6 12.5 1.0 CA A:SER14 4.7 11.7 1.0 C A:ARG16 4.8 9.9 1.0 CD A:ARG16 4.8 11.9 1.0 N A:ASN13 4.8 13.1 1.0 CB A:SER14 4.8 13.2 1.0 CB A:SER17 4.8 11.9 1.0 N A:THR11 4.8 11.5 1.0

J.Messens, I.Van Molle, P.Vanhaesebrouck, K.Van Belle, K.Wahni, J.C.Martins, L.Wyns, R.Loris. The Structure of A Triple Mutant of PI258 Arsenate Reductase From Staphylococcus Aureus and Its 5-Thio-2-Nitrobenzoic Acid Adduct. Acta Crystallogr.,Sect.D V. 60 1180 2004.
ISSN: ISSN 0907-4449
PubMed: 15159594
DOI: 10.1107/S0907444904007334