Chlorine in PDB 3upg: Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein.

The structure of Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein., PDB code: 3upg was solved by P.Prasanth, B.K.Putcha, A.Arockiasamy, S.Krishnaswamy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 3.20
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	115.149, 115.149, 216.736, 90.00, 90.00, 120.00
R / Rfree (%)	28.8 / 32.5

The structure of Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein. also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein. (pdb code 3upg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein., PDB code: 3upg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl403 b:0.4 occ:1.00 O A:THR114 3.1 0.8 1.0 ND2 A:ASN119 3.3 0.9 1.0 CD1 A:PHE235 3.9 1.0 1.0 C A:THR114 4.0 0.8 1.0 NH2 A:ARG234 4.0 0.6 1.0 CB A:PHE235 4.1 0.8 1.0 CG A:PHE235 4.3 0.3 1.0 O A:ASP113 4.3 0.1 1.0 CG A:ASN119 4.4 0.4 1.0 CA A:PHE235 4.5 0.4 1.0 CA A:TYR115 4.5 0.1 1.0 N A:TYR115 4.6 0.3 1.0 C A:TYR115 4.6 0.6 1.0 O A:ARG234 4.7 0.9 1.0 N A:GLY116 4.8 0.7 1.0 CE1 A:PHE235 4.8 1.0 1.0 CG2 A:ILE286 4.8 0.4 1.0 OD1 A:ASN119 4.9 0.5 1.0 CA A:THR114 4.9 0.8 1.0

Chlorine binding site 2 out of 3 in the Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl404 b:0.7 occ:1.00 NH2 A:ARG37 2.4 65.2 1.0 NH2 A:ARG124 3.1 0.8 1.0 CG A:ARG74 3.2 62.3 1.0 OE1 A:GLN59 3.4 53.6 1.0 NE1 A:TRP72 3.4 70.0 1.0 CD A:ARG74 3.5 68.2 1.0 CZ A:ARG37 3.6 65.5 1.0 NE A:ARG74 3.6 71.9 1.0 CZ A:ARG124 3.7 0.7 1.0 CB A:ARG74 3.9 59.3 1.0 CB A:GLN59 4.0 52.7 1.0 NH1 A:ARG124 4.0 0.6 1.0 CD A:GLN59 4.1 53.5 1.0 CD1 A:TRP72 4.2 68.0 1.0 NE A:ARG37 4.2 62.5 1.0 CE2 A:TRP72 4.4 70.7 1.0 CZ A:ARG74 4.5 75.2 1.0 NH1 A:ARG37 4.6 68.0 1.0 CG A:GLN59 4.6 54.4 1.0 NE A:ARG124 4.6 0.1 1.0 CA A:ARG74 4.7 59.4 1.0 CZ2 A:TRP72 4.8 70.9 1.0

Chlorine binding site 3 out of 3 in the Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Loop Deletion Mutant of Salmonella Typhi Osmoporin (Ompc):An Outer Membrane Protein. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl405 b:92.0 occ:0.33 ND2 A:ASN69 3.1 94.5 1.0 CG A:ASN69 3.8 93.7 1.0 OD1 A:ASN69 4.4 94.5 1.0 CB A:ASN69 4.5 91.0 1.0

P.Prasanth, B.K.Putcha, A.Arockiasamy, S.Krishnaswamy. Crystal Structure of Osmoporin (Ompc) Loop Deletion Mutant: An Outer Membrane Protein From Salmonella Typhi. To Be Published.