Chlorine in PDB 3rmq: Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant)

The structure of Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant), PDB code: 3rmq was solved by K.Michalska, A.Weger, C.Hatzos-Skintges, J.Bearden, A.Joachimiak, Midwestcenter For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.93 / 1.85
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	79.225, 79.225, 47.051, 90.00, 90.00, 120.00
R / Rfree (%)	16.2 / 19.1

The structure of Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant) also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant) (pdb code 3rmq). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant), PDB code: 3rmq:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in the Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant)


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 Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl116 b:24.4 occ:1.00 NH2 A:ARG43 3.2 30.4 1.0 NE A:ARG43 3.4 20.7 1.0 O A:HOH166 3.5 34.4 1.0 O A:HOH198 3.5 34.9 1.0 CZ A:ARG43 3.8 30.1 1.0 CD A:ARG43 4.6 16.5 1.0 CG A:ARG43 4.7 18.1 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant)


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 Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl117 b:31.0 occ:1.00 OG1 A:THR30 3.2 24.8 1.0 N A:THR30 3.6 18.2 1.0 CA A:PHE29 3.7 19.0 1.0 C A:PHE29 3.7 21.2 1.0 CE1 A:HIS21 3.8 27.1 1.0 O A:PRO28 4.0 21.7 1.0 CG2 A:THR36 4.0 30.4 1.0 C A:PRO28 4.1 27.8 1.0 N A:PHE29 4.2 23.2 1.0 CB A:THR30 4.2 23.4 1.0 ND1 A:HIS21 4.3 27.7 1.0 O A:PHE29 4.3 19.4 1.0 CA A:THR30 4.4 16.4 1.0 CB A:PRO28 4.5 32.5 1.0 OG1 A:THR36 4.6 29.4 1.0 CG A:PRO28 4.7 37.0 1.0 NE2 A:HIS21 4.8 26.3 1.0 CB A:THR36 4.9 28.4 1.0 CB A:PHE29 5.0 16.2 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant)


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 Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl118 b:41.2 occ:1.00 O A:HOH142 2.9 28.0 1.0 NH1 A:ARG22 3.4 57.2 1.0 SE A:MSE1 4.2 34.2 0.6 CZ A:ARG22 4.3 58.5 1.0 NE A:ARG22 4.4 54.8 1.0 O A:HOH134 4.8 25.8 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant)


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 Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl119 b:36.6 occ:1.00 O A:HOH192 3.0 38.0 1.0 N A:THR38 3.1 19.5 1.0 O A:THR38 3.6 23.0 1.0 CB A:ASP10 3.7 28.4 1.0 NH1 A:ARG43 3.7 19.8 1.0 CG A:ASP10 3.8 42.7 1.0 CA A:VAL37 3.9 18.7 1.0 C A:VAL37 4.0 19.5 1.0 O A:HOH132 4.0 17.2 1.0 CA A:THR38 4.0 20.5 1.0 OD1 A:ASP10 4.1 39.2 1.0 CB A:THR38 4.1 33.6 1.0 CB A:VAL37 4.2 19.0 1.0 C A:THR38 4.2 20.9 1.0 O A:HOH139 4.3 32.5 1.0 CA A:ASP10 4.3 19.3 1.0 OD2 A:ASP10 4.3 48.7 1.0 N A:ASP10 4.5 15.9 1.0 OG1 A:THR38 4.6 33.4 1.0 CG1 A:VAL37 4.7 22.9 1.0 CZ A:ARG43 4.9 30.1 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant)


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 Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl120 b:29.6 occ:1.00 N A:LEU46 3.1 15.6 1.0 N A:THR47 3.3 18.7 1.0 OG1 A:THR47 3.5 33.8 1.0 C A:LEU46 3.5 25.4 1.0 O A:THR41 3.5 17.0 1.0 CA A:LEU46 3.5 20.8 1.0 C A:GLY44 3.6 14.8 1.0 O A:HOH137 3.6 21.5 1.0 CG2 A:THR41 3.6 24.7 1.0 CB A:LEU46 3.7 24.5 1.0 CA A:GLY44 3.7 16.1 1.0 CA A:THR41 3.8 18.6 1.0 O A:GLY44 3.8 14.5 1.0 N A:ASP45 3.8 14.6 1.0 CB A:THR47 4.0 32.5 1.0 C A:THR41 4.1 18.2 1.0 C A:ASP45 4.2 13.6 1.0 CB A:THR41 4.2 23.8 1.0 O A:LEU46 4.3 26.3 1.0 CA A:THR47 4.3 21.2 1.0 N A:GLY44 4.4 15.2 1.0 OG1 A:THR41 4.5 23.4 1.0 CA A:ASP45 4.6 13.3 1.0 CD2 A:LEU46 4.6 24.6 1.0 CG A:LEU46 4.8 25.0 1.0 O A:GLN40 4.8 14.7 0.5 O A:GLN40 4.9 14.3 0.5 N A:THR41 4.9 16.6 1.0 CD1 A:LEU50 5.0 34.8 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant)


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 Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl121 b:49.5 occ:1.00 O A:HOH148 3.0 31.5 1.0 N A:ASP82 3.2 35.4 1.0 CA A:PHE81 3.7 29.2 1.0 CD1 A:PHE81 3.7 28.6 1.0 CB A:PHE81 3.9 25.6 1.0 C A:PHE81 4.0 36.0 1.0 CB A:ASP82 4.2 45.2 1.0 CA A:ASP82 4.2 39.8 1.0 O A:ASP82 4.3 44.8 1.0 CG A:PHE81 4.3 24.3 1.0 CG A:ASP82 4.3 51.4 1.0 OD2 A:ASP82 4.4 53.4 1.0 CG A:PRO57 4.4 26.0 1.0 C A:ASP82 4.8 37.0 1.0 O A:ARG80 4.8 44.8 1.0 CE1 A:PHE81 4.8 31.0 1.0 OD1 A:ASP82 4.9 50.0 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl122 b:42.5 occ:1.00 NH1 A:ARG3 3.2 21.9 1.0 CD A:ARG3 3.7 22.0 1.0 CG A:ARG3 3.8 20.9 1.0 O A:HOH195 3.9 42.4 1.0 CB A:ARG3 3.9 16.9 1.0 CZ A:ARG3 4.2 18.9 1.0 O A:HOH176 4.4 41.4 1.0 NE A:ARG3 4.4 19.4 1.0

K.Michalska, A.Weger, C.Hatzos-Skintges, J.Bearden, A.Joachimiak. Crystal Structure of Uncharacterized Protein SVIR_20580 From Saccharomonospora Viridis (V71M Mutant) To Be Published.