Chlorine in PDB 3cqy: Crystal Structure of A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1

The structure of Crystal Structure of A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1, PDB code: 3cqy was solved by K.Tan, E.Evdokimova, M.Kudritska, A.Savchenko, A.M.Edwards, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.78 / 2.30
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	147.816, 147.816, 117.687, 90.00, 90.00, 90.00
R / Rfree (%)	17.3 / 21.1

The binding sites of Chlorine atom in the Crystal Structure of A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1 (pdb code 3cqy). 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 A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1, PDB code: 3cqy:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structure of A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1


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 A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl370 b:52.9 occ:1.00 N A:LEU147 3.1 40.4 1.0 O A:HOH481 3.6 58.0 1.0 CA A:PRO146 3.6 40.7 1.0 O A:HOH540 3.6 40.3 1.0 N A:VAL148 3.7 39.8 1.0 CB A:PRO146 3.8 40.2 1.0 NH1 A:ARG134 3.8 37.6 1.0 C A:PRO146 3.8 40.7 1.0 NH2 A:ARG134 3.9 38.6 1.0 CA A:LEU147 4.1 40.3 1.0 CG1 A:VAL148 4.1 37.7 1.0 CB A:LEU147 4.3 40.9 1.0 CZ A:ARG134 4.3 38.4 1.0 C A:LEU147 4.4 40.4 1.0 CG2 A:VAL148 4.4 36.5 1.0 CB A:VAL148 4.6 38.6 1.0 OE2 A:GLU331 4.7 55.5 1.0 CA A:VAL148 4.8 38.7 1.0 ND2 A:ASN173 4.8 38.2 1.0 CG A:LEU147 4.8 40.9 1.0 N A:PRO146 4.9 41.0 1.0

Chlorine binding site 2 out of 6 in the Crystal Structure of A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1


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 A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl371 b:65.6 occ:1.00 NH1 A:ARG64 3.1 53.7 1.0 NH1 A:ARG50 3.3 59.5 1.0 CA A:GLY47 3.4 41.5 1.0 NH1 A:ARG61 3.5 39.2 1.0 CD A:ARG61 3.9 35.5 1.0 O A:HOH407 4.0 41.0 1.0 NH2 A:ARG64 4.0 57.3 1.0 CZ A:ARG64 4.0 52.6 1.0 CG A:ARG61 4.1 36.0 1.0 CD2 A:LEU65 4.1 34.7 1.0 CZ A:ARG50 4.3 61.6 1.0 N A:GLY47 4.4 42.3 1.0 CD A:ARG50 4.4 54.9 1.0 CD1 A:LEU65 4.5 31.9 1.0 C A:GLY47 4.5 41.6 1.0 CZ A:ARG61 4.6 36.9 1.0 O A:GLY47 4.7 41.1 1.0 CG A:LEU65 4.7 34.2 1.0 NE A:ARG61 4.7 35.5 1.0 NE A:ARG50 4.8 60.1 1.0

Chlorine binding site 3 out of 6 in the Crystal Structure of A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1


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 A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl372 b:64.9 occ:1.00 NH2 A:ARG67 3.3 34.6 1.0 NZ A:LYS71 3.5 37.9 1.0 O A:HOH403 3.8 27.8 1.0 O B:ALA139 3.9 37.4 1.0 O A:HOH478 4.0 42.5 1.0 O B:HOH458 4.0 46.5 1.0 CE A:LYS71 4.3 38.1 1.0 CZ A:ARG67 4.3 36.7 1.0 O B:ILE138 4.4 37.0 1.0 N B:GLY141 4.5 36.0 1.0 NH1 A:ARG67 4.5 35.8 1.0 C B:ALA139 4.5 36.6 1.0 CA B:GLY141 4.6 35.5 1.0 OE2 A:GLU124 4.6 46.6 1.0 O B:VAL109 4.9 47.6 1.0 O A:HOH596 5.0 51.3 1.0

Chlorine binding site 4 out of 6 in the Crystal Structure of A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1


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 A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl370 b:55.9 occ:1.00 N B:LEU147 3.1 39.9 1.0 CA B:PRO146 3.6 40.0 1.0 NH1 B:ARG134 3.7 40.6 1.0 O A:HOH546 3.7 45.1 1.0 NH2 B:ARG134 3.8 36.9 1.0 O B:HOH440 3.8 43.3 1.0 CB B:PRO146 3.9 39.9 1.0 N B:VAL148 3.9 39.6 1.0 C B:PRO146 3.9 40.4 1.0 CA B:LEU147 4.1 39.7 1.0 CB B:LEU147 4.1 39.2 1.0 CZ B:ARG134 4.2 37.2 1.0 CG1 B:VAL148 4.3 39.2 1.0 C B:LEU147 4.4 40.0 1.0 CG2 B:VAL148 4.5 38.1 1.0 CG B:LEU147 4.7 39.4 1.0 CB B:VAL148 4.8 39.5 1.0 CB B:ALA145 4.9 38.7 1.0 CA B:VAL148 4.9 39.3 1.0 CZ B:PHE335 4.9 38.5 1.0 N B:PRO146 5.0 40.3 1.0 CE2 B:PHE335 5.0 40.8 1.0

Chlorine binding site 5 out of 6 in the Crystal Structure of A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1


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 A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl371 b:67.1 occ:1.00 NH1 B:ARG50 3.1 60.0 1.0 NH2 B:ARG64 3.1 48.5 1.0 NE B:ARG61 3.2 42.6 1.0 CA B:GLY47 3.6 41.5 1.0 NH1 B:ARG61 4.0 44.5 1.0 CZ B:ARG64 4.0 46.1 1.0 CD B:ARG61 4.0 41.0 1.0 NE B:ARG64 4.1 42.8 1.0 CZ B:ARG61 4.1 42.6 1.0 CG B:ARG61 4.1 38.1 1.0 CZ B:ARG50 4.2 61.6 1.0 CD2 B:LEU65 4.3 34.2 1.0 CD B:ARG50 4.4 57.6 1.0 O B:HOH390 4.5 43.9 1.0 CD1 B:LEU65 4.5 33.4 1.0 N B:GLY47 4.5 41.8 1.0 C B:GLY47 4.6 41.9 1.0 CG B:LEU65 4.7 33.4 1.0 NE B:ARG50 4.7 60.6 1.0 O B:GLY47 4.8 41.5 1.0

Chlorine binding site 6 out of 6 in the Crystal Structure of A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1


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 A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl372 b:72.7 occ:1.00 NH2 B:ARG67 3.2 35.5 1.0 NZ B:LYS71 3.4 39.3 1.0 O B:HOH515 3.6 34.3 1.0 O A:ALA139 3.9 37.6 1.0 O B:HOH517 4.0 49.3 1.0 CZ B:ARG67 4.2 35.0 1.0 O A:HOH606 4.2 51.8 1.0 NH1 B:ARG67 4.3 37.4 1.0 CE B:LYS71 4.4 38.7 1.0 O A:ILE138 4.4 38.3 1.0 O A:HOH423 4.5 41.0 1.0 OE2 B:GLU124 4.6 45.5 1.0 C A:ALA139 4.6 37.5 1.0 N A:GLY141 4.7 36.4 1.0 CA A:GLY141 4.8 35.9 1.0

K.Tan, E.Evdokimova, M.Kudritska, A.Savchenko, A.M.Edwards, A.Joachimiak. The Structure of A Functionally Unknown Protein (SO_1313) From Shewanella Oneidensis Mr-1. To Be Published.