Chlorine in PDB 3krv: The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity

The structure of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity, PDB code: 3krv was solved by N.Rakonjac, P.Rezacova, D.Borek, F.Collart, A.Joachimiak, Z.Otwinowski, 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)	34.88 / 2.55
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	119.096, 119.096, 124.413, 90.00, 90.00, 90.00
R / Rfree (%)	19.3 / 24.4

The structure of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity also contains other interesting chemical elements:

Zinc

(Zn)

1 atom

The binding sites of Chlorine atom in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity (pdb code 3krv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 8 binding sites of Chlorine where determined in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity, PDB code: 3krv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Chlorine binding site 1 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:65.4 occ:1.00 NH2 A:ARG197 2.6 30.3 1.0 O B:HOH261 3.0 51.9 1.0 CE2 B:PHE63 3.5 24.1 1.0 CZ A:ARG197 3.7 27.9 1.0 CD2 B:PHE63 3.8 23.9 1.0 NH1 A:ARG197 4.0 25.8 1.0 O B:PHE63 4.1 25.9 1.0 CG B:PRO185 4.2 19.6 1.0 CA B:GLU64 4.4 28.1 1.0 O B:ILE66 4.5 34.6 1.0 CZ B:PHE63 4.5 25.9 1.0 CA B:LYS187 4.7 22.0 1.0 CG B:LYS187 4.7 20.9 1.0 C B:PHE63 4.7 27.3 1.0 O B:LEU186 4.8 22.6 1.0 NE A:ARG197 4.8 28.6 1.0 N B:GLU64 4.9 27.6 1.0 CG B:PHE63 5.0 27.4 1.0

Chlorine binding site 2 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:77.6 occ:1.00 NH2 A:ARG178 3.7 30.2 1.0 NE A:ARG178 3.7 30.2 1.0 CZ A:ARG178 4.2 32.3 1.0 O3 A:GOL214 4.7 68.5 1.0 O2 A:GOL214 4.8 67.8 1.0 CD A:ARG178 4.9 27.3 1.0

Chlorine binding site 3 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:84.1 occ:1.00 O A:HOH283 2.3 61.1 1.0 O B:HOH259 3.0 34.1 1.0 N A:LEU68 3.4 21.2 1.0 O A:HOH249 3.5 36.0 1.0 CA A:PRO67 3.7 20.2 1.0 CB A:LEU68 4.0 21.4 1.0 CG A:LEU68 4.1 22.1 1.0 C A:PRO67 4.1 20.6 1.0 CB A:PRO67 4.2 20.1 1.0 CA A:LEU68 4.4 21.9 1.0 OD1 A:ASN69 4.4 38.3 1.0 CD1 A:LEU68 4.6 23.0 1.0 O A:ILE66 4.6 18.9 1.0 N A:PRO67 4.9 20.0 1.0

Chlorine binding site 4 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl207 b:63.4 occ:1.00 O B:HOH246 3.4 36.7 1.0 CD B:PRO9 3.9 22.4 1.0 NE B:ARG170 4.0 28.1 1.0 CG B:ARG170 4.4 23.1 1.0 O B:HOH240 4.4 50.6 1.0 CG B:PRO9 4.5 22.5 1.0 NH2 B:ARG170 4.6 32.5 1.0 CB B:ARG170 4.8 22.5 1.0 CD B:ARG170 4.8 24.3 1.0 CZ B:ARG170 4.9 30.2 1.0

Chlorine binding site 5 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl208 b:79.4 occ:1.00 ND2 B:ASN69 3.1 43.4 1.0 N B:LEU68 3.5 35.0 1.0 N B:ASN69 3.6 35.0 1.0 CA B:PRO67 3.8 36.1 1.0 CB B:PRO67 3.8 35.9 1.0 CG B:ASN69 3.9 40.5 1.0 C B:PRO67 3.9 35.7 1.0 CA B:LEU68 4.2 34.2 1.0 CB B:LEU68 4.3 33.8 1.0 CB B:ASN69 4.3 36.1 1.0 C B:LEU68 4.4 34.3 1.0 CA B:ASN69 4.6 35.4 1.0 OD1 B:ASN69 4.7 43.1 1.0 O B:PRO67 4.7 35.9 1.0

Chlorine binding site 6 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl209 b:73.9 occ:1.00 C B:GLY177 3.9 28.9 1.0 CA B:GLY177 3.9 28.7 1.0 O B:GLY177 4.0 28.2 1.0 CE1 B:PHE78 4.1 28.2 1.0 O B:LEU77 4.1 28.8 1.0 CB B:LYS76 4.2 27.6 1.0 N B:ARG178 4.3 28.9 1.0 CG B:LYS76 4.5 28.1 1.0 CZ B:PHE78 4.5 28.1 1.0 N B:GLY177 4.5 29.2 1.0 CD1 B:PHE78 4.5 28.8 1.0 CG B:ARG178 4.6 30.8 1.0 CA B:LYS76 4.7 27.4 1.0 N B:LEU77 4.8 27.0 1.0 CD B:LYS76 4.8 30.8 1.0 C B:LEU77 4.9 27.9 1.0

Chlorine binding site 7 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl210 b:70.5 occ:1.00 N B:ASN84 3.5 26.5 1.0 CA B:VAL83 3.9 25.8 1.0 C B:VAL83 4.2 26.4 1.0 O B:HIS82 4.4 27.1 1.0 O B:HOH222 4.4 44.8 1.0 CA B:ASN84 4.5 26.8 1.0 ND2 B:ASN84 4.5 27.6 1.0 CB B:ASN84 4.5 26.6 1.0 O B:ASN84 4.6 25.6 1.0 OD1 B:ASP91 4.7 27.4 1.0 CB B:VAL83 4.7 25.2 1.0 CG2 B:VAL83 4.8 24.9 1.0 CG1 B:VAL83 4.8 24.2 1.0 N B:VAL83 4.9 26.1 1.0

Chlorine binding site 8 out of 8 in the The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 8 of The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl211 b:81.6 occ:1.00 O B:HOH263 2.7 42.5 1.0 O A:HOH280 2.8 45.4 1.0 O B:THR48 3.0 22.1 1.0 O B:ALA196 3.3 23.9 1.0 CD1 B:ILE10 3.7 16.9 1.0 CG2 B:THR7 3.7 19.4 1.0 N B:ALA196 3.8 24.9 1.0 CB B:PRO195 4.0 27.0 1.0 N B:THR48 4.0 20.6 1.0 C B:THR48 4.0 22.1 1.0 C B:ALA196 4.0 23.2 1.0 CB B:THR48 4.1 21.1 1.0 CA B:THR48 4.3 20.7 1.0 CG1 B:ILE10 4.3 19.4 1.0 C B:PRO195 4.3 26.2 1.0 CA B:PRO195 4.3 26.6 1.0 O B:HOH232 4.5 33.1 1.0 CA B:ALA196 4.6 23.7 1.0 O B:ALA8 4.6 22.6 1.0 CD1 A:LEU186 4.7 21.1 1.0 O B:THR46 4.8 23.2 1.0 C B:GLY47 4.9 21.2 1.0 OG1 B:THR48 4.9 20.4 1.0 N B:ARG197 4.9 22.1 1.0

P.Rezacova, N.Rakonjac, J.Maderova, D.Borek, D.Tomchick, A.Joachimiak, F.Collart, Z.Otwinowski. The Structure of Potential Metal-Dependent Hydrolase with Cyclase Activity To Be Published.