Chlorine in PDB 3cng: Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea

The structure of Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea, PDB code: 3cng was solved by J.Osipiuk, X.Xu, H.Zheng, A.Savchenko, A.M.Edwards, 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)	37.20 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	174.781, 49.506, 110.190, 90.00, 106.28, 90.00
R / Rfree (%)	18.1 / 23.3

The structure of Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea also contains other interesting chemical elements:

Zinc	(Zn)	4 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea (pdb code 3cng). 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 Nudix Hydrolase From Nitrosomonas Europaea, PDB code: 3cng:
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 Nudix Hydrolase From Nitrosomonas Europaea


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 Nudix Hydrolase From Nitrosomonas Europaea within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl518 b:38.1 occ:0.80 O B:HOH523 3.0 32.6 1.0 N A:VAL79 3.2 34.8 1.0 CG2 A:VAL79 3.4 33.1 1.0 CB A:THR77 3.6 34.9 1.0 N A:LEU78 3.6 35.2 1.0 CB A:VAL79 3.7 36.4 1.0 OG1 A:THR77 3.8 34.2 1.0 OG B:SER104 3.8 36.3 1.0 CB A:LEU78 3.8 35.6 1.0 CD2 B:LEU171 4.0 50.7 1.0 CA A:LEU78 4.0 35.4 1.0 CG1 B:ILE173 4.0 36.8 1.0 CA A:VAL79 4.0 35.8 1.0 C A:LEU78 4.1 34.8 1.0 CD1 B:ILE173 4.2 36.7 1.0 C A:THR77 4.3 34.1 1.0 CB B:SER104 4.3 33.4 1.0 CG B:LEU171 4.4 47.7 1.0 O A:HOH548 4.4 33.9 1.0 CA A:THR77 4.5 34.1 1.0 CG2 A:THR77 4.6 31.4 1.0 O B:GLY172 4.7 41.9 1.0 CG A:LEU78 4.8 35.9 1.0 CD1 A:LEU78 4.9 29.3 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea


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 Nudix Hydrolase From Nitrosomonas Europaea within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl519 b:40.0 occ:0.80 O3 A:GOL501 2.9 41.4 0.8 N A:VAL150 3.2 37.6 1.0 C3 A:GOL501 3.3 36.4 0.8 O A:HOH528 3.4 43.6 1.0 N A:ARG149 3.6 37.1 1.0 CB A:VAL150 3.7 37.7 1.0 CG1 A:VAL150 3.7 32.4 1.0 CB A:ARG149 3.9 38.0 1.0 CB A:PHE148 3.9 40.5 1.0 CD2 A:LEU105 3.9 41.0 1.0 CA A:ARG149 4.0 37.9 1.0 CA A:VAL150 4.0 38.0 1.0 C A:ARG149 4.1 37.3 1.0 C A:PHE148 4.2 38.4 1.0 CA A:PHE148 4.3 39.7 1.0 CG2 A:ILE174 4.3 24.9 1.0 CG A:PHE148 4.7 42.0 1.0 CD1 A:ILE174 4.8 26.9 1.0 C2 A:GOL501 4.8 37.7 0.8 CD1 A:PHE148 4.9 44.5 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea


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 Nudix Hydrolase From Nitrosomonas Europaea within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl520 b:47.9 occ:0.80 N A:LEU99 3.2 36.4 1.0 CA A:GLU98 3.6 38.7 1.0 O B:HOH555 3.7 42.4 1.0 CE1 B:PHE169 3.9 56.1 1.0 C A:GLU98 3.9 37.8 1.0 CB A:GLU98 4.0 39.0 1.0 CB A:LEU99 4.1 36.5 1.0 CB B:LEU171 4.3 46.6 1.0 CA A:LEU99 4.3 36.3 1.0 CD1 B:PHE169 4.4 57.0 1.0 CG A:GLU98 4.4 43.8 1.0 CD2 B:LEU171 4.5 50.7 1.0 O A:ARG97 4.6 38.5 1.0 N A:GLU98 4.8 38.0 1.0 CG B:LEU171 4.9 47.7 1.0 O A:LEU99 4.9 36.9 1.0 CD1 B:LEU171 4.9 47.6 1.0 N B:LEU171 4.9 45.8 1.0 CZ B:PHE169 5.0 56.2 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea


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 Nudix Hydrolase From Nitrosomonas Europaea within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl514 b:43.0 occ:0.80 N B:LEU99 3.4 37.5 1.0 O B:HOH557 3.5 41.4 1.0 O A:HOH538 3.6 41.0 1.0 CA B:GLU98 3.6 39.0 1.0 CE1 A:PHE169 3.8 61.1 1.0 C B:GLU98 4.0 38.1 1.0 CB B:GLU98 4.1 39.5 1.0 CB B:LEU99 4.2 37.4 1.0 CD1 A:LEU171 4.4 47.1 1.0 CA B:LEU99 4.4 36.4 1.0 CG B:GLU98 4.5 43.3 1.0 CB A:LEU171 4.5 43.9 1.0 CD1 A:PHE169 4.6 63.2 1.0 CZ A:PHE169 4.6 64.0 1.0 O B:ARG97 4.7 36.7 1.0 N B:GLU98 4.8 38.3 1.0 N A:LEU171 4.8 44.1 1.0 O B:LEU99 4.9 35.7 1.0 CG A:LEU171 5.0 45.1 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea


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 Nudix Hydrolase From Nitrosomonas Europaea within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl517 b:35.4 occ:0.80 O A:HOH526 3.0 33.1 1.0 O A:HOH542 3.2 35.0 1.0 N B:VAL79 3.2 34.1 1.0 CG1 B:VAL79 3.3 33.2 0.4 CD2 A:LEU171 3.4 46.6 1.0 CG2 B:VAL79 3.4 33.6 0.6 N B:LEU78 3.4 32.8 1.0 CB B:VAL79 3.5 34.4 0.6 CB B:THR77 3.5 36.3 1.0 OG1 B:THR77 3.7 36.8 1.0 CG2 B:VAL79 3.7 33.2 0.4 CB B:LEU78 3.8 32.5 1.0 OG A:SER104 3.8 34.1 1.0 CB B:VAL79 3.9 34.0 0.4 CA B:LEU78 3.9 33.6 1.0 CA B:VAL79 4.0 34.3 0.6 C B:LEU78 4.1 33.4 1.0 CA B:VAL79 4.1 34.0 0.4 CG1 A:ILE173 4.1 34.1 1.0 C B:THR77 4.2 34.3 1.0 CD1 A:ILE173 4.4 32.5 1.0 CA B:THR77 4.4 36.0 1.0 O B:HOH553 4.5 42.7 1.0 O A:HOH610 4.5 41.8 1.0 CG A:LEU171 4.5 45.1 1.0 CB A:SER104 4.5 33.7 1.0 CG2 B:THR77 4.6 34.7 1.0 O A:GLY172 4.7 35.6 1.0 CG1 B:VAL79 4.8 34.9 0.6 CG B:LEU78 4.8 31.6 1.0 O A:HOH584 4.9 42.1 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea


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 Nudix Hydrolase From Nitrosomonas Europaea within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl516 b:37.6 occ:0.80 O D:HOH556 2.8 38.0 1.0 O D:HOH608 2.9 31.6 1.0 N C:VAL79 3.4 35.9 1.0 CG2 C:VAL79 3.5 37.9 1.0 CB C:THR77 3.6 35.7 1.0 OG D:SER104 3.6 35.3 1.0 N C:LEU78 3.7 33.3 1.0 CB C:VAL79 3.7 36.8 1.0 OG1 C:THR77 3.8 34.0 1.0 CD2 D:LEU171 3.9 45.0 1.0 CB C:LEU78 4.0 35.5 1.0 CG1 D:ILE173 4.0 37.5 1.0 CA C:LEU78 4.2 35.5 1.0 CD1 D:ILE173 4.2 37.7 1.0 CA C:VAL79 4.2 37.0 1.0 C C:LEU78 4.3 34.9 1.0 CB D:SER104 4.3 35.3 1.0 C C:THR77 4.3 34.5 1.0 CA C:THR77 4.5 35.2 1.0 CG2 C:THR77 4.5 35.1 1.0 CG D:LEU171 4.6 44.2 1.0 O D:HOH623 4.6 44.0 1.0 O C:HOH542 4.6 36.1 1.0 O D:HOH616 4.7 44.6 1.0 O D:GLY172 4.7 37.9 1.0 CG C:LEU78 5.0 37.1 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea


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 Nudix Hydrolase From Nitrosomonas Europaea within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl515 b:33.0 occ:0.80 NE2 D:HIS164 3.0 55.6 1.0 CD2 D:HIS164 3.8 58.6 1.0 CE1 D:HIS164 4.0 59.9 1.0

J.Osipiuk, X.Xu, H.Zheng, A.Savchenko, A.M.Edwards, A.Joachimiak. X-Ray Crystal Structure of Nudix Hydrolase From Nitrosomonas Europaea. To Be Published.