Chlorine in PDB 3td5: Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala

The structure of Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala, PDB code: 3td5 was solved by J.S.Park, W.C.Lee, J.H.Song, H.Y.Kim, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.30 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	65.090, 162.610, 66.228, 90.00, 112.68, 90.00
R / Rfree (%)	22 / 25.7

The binding sites of Chlorine atom in the Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala (pdb code 3td5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala, PDB code: 3td5:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala


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 Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:65.2 occ:1.00 O A:HOH673 3.5 33.0 1.0 CG A:PHE233 4.4 15.2 1.0 CD1 A:PHE233 4.5 15.0 1.0 CB A:ALA326 4.5 18.3 1.0 CD2 A:PHE233 4.7 15.6 1.0 O A:ALA326 4.7 15.6 1.0 C A:ALA326 4.8 16.9 1.0 CB A:PHE233 4.8 14.8 1.0 CE1 A:PHE233 4.8 12.3 1.0 O A:HOH36 4.9 13.5 1.0 N A:MET327 5.0 16.1 1.0 CG A:MET327 5.0 30.4 1.0 CE2 A:PHE233 5.0 17.4 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala


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 Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl2 b:56.9 occ:1.00 CG B:PHE233 4.0 26.1 1.0 CD2 B:PHE233 4.1 25.3 1.0 O B:HOH344 4.1 34.3 1.0 CD1 B:PHE233 4.4 25.6 1.0 CE2 B:PHE233 4.5 25.3 1.0 CB B:PHE233 4.5 22.9 1.0 OH B:TYR245 4.6 42.8 1.0 CE1 B:PHE233 4.7 26.7 1.0 CZ B:PHE233 4.8 25.2 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl3 b:53.0 occ:1.00 SD C:MET327 3.7 41.2 1.0 CG C:PHE233 4.1 16.0 1.0 CD1 C:PHE233 4.2 17.1 1.0 CD2 C:PHE233 4.3 16.9 1.0 O C:ALA326 4.5 15.2 1.0 CE1 C:PHE233 4.5 16.2 1.0 CB C:PHE233 4.6 15.1 1.0 C C:ALA326 4.6 16.6 1.0 CE2 C:PHE233 4.7 15.1 1.0 CB C:ALA326 4.7 12.4 1.0 CZ C:PHE233 4.8 16.1 1.0 CG C:MET327 4.8 31.1 1.0 N C:MET327 4.8 17.3 1.0 CA C:MET327 4.8 18.2 1.0 O C:HOH157 4.9 11.8 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl4 b:52.7 occ:1.00 O E:HOH807 3.4 39.6 1.0 CG E:PHE233 4.7 11.8 1.0 CD2 E:PHE233 4.7 14.4 1.0 O E:HOH383 4.9 35.9 1.0 CB E:ALA326 5.0 14.8 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl5 b:63.7 occ:1.00 O F:HOH351 4.0 26.9 1.0 CG F:PHE233 4.2 16.9 1.0 SD F:MET327 4.2 39.7 1.0 CD2 F:PHE233 4.3 15.2 1.0 CD1 F:PHE233 4.5 16.4 1.0 CE2 F:PHE233 4.6 14.5 1.0 CB F:PHE233 4.7 14.9 1.0 CE1 F:PHE233 4.8 16.6 1.0 CZ F:PHE233 4.8 14.7 1.0 OH F:TYR245 4.9 27.2 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structure of Ompa-Like Domain From Acinetobacter Baumannii in Complex with L-Ala-Gamma-D-Glu-M-Dap-D-Ala-D-Ala within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl6 b:58.2 occ:1.00 O G:HOH625 3.7 40.9 1.0 SD G:MET327 4.0 39.7 1.0 CG G:PHE233 4.0 19.6 1.0 CD2 G:PHE233 4.3 18.8 1.0 CD1 G:PHE233 4.3 17.9 1.0 CB G:PHE233 4.3 15.3 1.0 O G:ALA326 4.5 14.9 1.0 OH G:TYR245 4.7 34.7 1.0 CE2 G:PHE233 4.8 18.2 1.0 O G:HOH19 4.8 16.8 1.0 CE1 G:PHE233 4.8 18.1 1.0 C G:ALA326 4.9 16.9 1.0 CB G:ALA326 4.9 15.3 1.0

J.S.Park, W.C.Lee, K.J.Yeo, K.S.Ryu, M.Kumarasiri, D.Hesek, M.Lee, S.Mobashery, J.H.Song, S.I.Kim, J.C.Lee, C.Cheong, Y.H.Jeon, H.Y.Kim. Mechanism of Anchoring of Ompa Protein to the Cell Wall Peptidoglycan of the Gram-Negative Bacterial Outer Membrane Faseb J. V. 26 219 2012.
ISSN: ISSN 0892-6638
PubMed: 21965596
DOI: 10.1096/FJ.11-188425