Chlorine in PDB 3n8u: Crystal Structure of An Imelysin Peptidase (BACOVA_03801) From Bacteroides Ovatus at 1.44 A Resolution

The structure of Crystal Structure of An Imelysin Peptidase (BACOVA_03801) From Bacteroides Ovatus at 1.44 A Resolution, PDB code: 3n8u was solved by Joint Center For Structural Genomics (Jcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.74 / 1.44
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	131.470, 49.930, 128.320, 90.00, 117.58, 90.00
R / Rfree (%)	16.7 / 19

The structure of Crystal Structure of An Imelysin Peptidase (BACOVA_03801) From Bacteroides Ovatus at 1.44 A Resolution also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of An Imelysin Peptidase (BACOVA_03801) From Bacteroides Ovatus at 1.44 A Resolution (pdb code 3n8u). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of An Imelysin Peptidase (BACOVA_03801) From Bacteroides Ovatus at 1.44 A Resolution, PDB code: 3n8u:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of An Imelysin Peptidase (BACOVA_03801) From Bacteroides Ovatus at 1.44 A Resolution


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 An Imelysin Peptidase (BACOVA_03801) From Bacteroides Ovatus at 1.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl5 b:13.9 occ:1.00 OG A:SER144 2.9 14.4 1.0 O A:HOH524 3.1 12.6 1.0 N A:ARG206 3.4 12.8 1.0 CA A:TRP142 3.5 13.2 1.0 CB A:ARG206 3.6 15.8 1.0 CB A:PRO204 3.7 13.1 1.0 CB A:SER144 3.7 14.9 1.0 C A:TRP142 3.7 15.1 1.0 N A:SER144 3.8 11.6 1.0 N A:PHE205 3.8 11.8 1.0 CA A:TRP139 3.8 13.3 1.0 N A:HIS143 4.0 12.2 1.0 CA A:ARG206 4.1 13.4 1.0 CB A:TRP139 4.2 13.9 1.0 O A:SER138 4.3 13.8 1.0 CG1 A:VAL136 4.3 15.1 1.0 O A:TRP142 4.3 14.7 1.0 CA A:SER144 4.3 12.2 1.0 C A:PRO204 4.3 12.7 1.0 CA A:PRO204 4.4 12.2 1.0 C A:PHE205 4.4 13.6 1.0 CA A:PHE205 4.5 11.0 1.0 N A:TRP142 4.5 12.8 1.0 CB A:TRP142 4.5 13.2 1.0 CB A:PHE205 4.5 11.1 1.0 N A:TRP139 4.5 12.4 1.0 O A:TRP139 4.6 14.7 1.0 CD1 A:TRP142 4.7 16.1 1.0 C A:SER138 4.7 13.5 1.0 C A:TRP139 4.7 15.4 1.0 CG A:TRP142 4.8 13.9 1.0 C A:HIS143 4.8 13.2 1.0 CG A:PRO204 4.8 16.1 1.0 CG A:ARG206 4.9 23.4 1.0 CA A:HIS143 5.0 11.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of An Imelysin Peptidase (BACOVA_03801) From Bacteroides Ovatus at 1.44 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of An Imelysin Peptidase (BACOVA_03801) From Bacteroides Ovatus at 1.44 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl4 b:26.9 occ:1.00 OG B:SER144 3.0 31.8 1.0 O B:HOH568 3.1 27.9 1.0 N B:ARG206 3.5 35.2 1.0 CA B:TRP142 3.5 36.0 1.0 CB B:SER144 3.7 29.6 1.0 CB B:PRO204 3.7 41.2 1.0 CB B:ARG206 3.7 38.2 1.0 C B:TRP142 3.8 38.7 1.0 N B:PHE205 3.9 36.0 1.0 N B:SER144 3.9 29.2 1.0 CA B:TRP139 4.0 34.3 1.0 N B:HIS143 4.1 33.1 1.0 CA B:ARG206 4.2 35.9 1.0 CG1 B:VAL136 4.2 32.7 1.0 O B:TRP142 4.3 39.3 1.0 O B:SER138 4.3 34.3 1.0 C B:PRO204 4.4 42.6 1.0 CA B:SER144 4.4 27.5 1.0 CB B:TRP142 4.4 38.4 1.0 CA B:PRO204 4.4 39.4 1.0 C B:PHE205 4.4 37.7 1.0 N B:TRP142 4.5 34.9 1.0 CA B:PHE205 4.5 33.4 1.0 CD1 B:TRP142 4.5 43.5 1.0 CB B:TRP139 4.5 34.1 1.0 CB B:PHE205 4.5 32.1 1.0 CG B:TRP142 4.6 41.5 1.0 O B:TRP139 4.6 40.1 1.0 N B:TRP139 4.6 31.4 1.0 C B:SER138 4.8 33.0 1.0 C B:TRP139 4.8 38.6 1.0 CG B:PRO204 4.8 46.7 1.0 CG B:ARG206 4.9 41.9 1.0 C B:HIS143 4.9 32.3 1.0

Q.Xu, N.D.Rawlings, C.L.Farr, H.J.Chiu, J.C.Grant, L.Jaroszewski, H.E.Klock, M.W.Knuth, M.D.Miller, D.Weekes, M.A.Elsliger, A.M.Deacon, A.Godzik, S.A.Lesley, I.A.Wilson. Structural and Sequence Analysis of Imelysin-Like Proteins Implicated in Bacterial Iron Uptake. Plos One V. 6 21875 2011.
ISSN: ESSN 1932-6203
PubMed: 21799754
DOI: 10.1371/JOURNAL.PONE.0021875