Chlorine in PDB 3rxy: Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus

The structure of Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus, PDB code: 3rxy was solved by K.Michalska, C.Tesar, S.Clancy, Z.Otwinowski, A.Joachimiak, Midwest Centerfor Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.37 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	187.770, 96.483, 128.470, 90.00, 115.28, 90.00
R / Rfree (%)	20.9 / 23.2

The binding sites of Chlorine atom in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus (pdb code 3rxy). 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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus, PDB code: 3rxy:
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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl277 b:41.4 occ:1.00 N A:ASN204 3.3 21.9 1.0 ND2 A:ASN204 3.3 20.7 1.0 OG1 A:THR203 3.4 34.5 1.0 CD2 A:HIS225 3.6 28.7 1.0 CB A:ASN204 3.7 19.6 1.0 CB A:HIS225 3.7 21.1 1.0 CG A:ASN204 4.0 25.5 1.0 CA A:THR203 4.0 22.0 1.0 CG A:HIS225 4.0 25.9 1.0 C A:THR203 4.1 26.1 1.0 CA A:ASN204 4.1 22.1 1.0 O A:HOH723 4.1 29.5 1.0 CG1 A:ILE224 4.1 19.4 1.0 O A:HIS225 4.2 22.6 1.0 CB A:THR203 4.4 28.3 1.0 O A:HOH286 4.5 15.8 1.0 CD1 A:ILE224 4.6 21.5 1.0 O A:HOH595 4.6 27.5 1.0 N A:HIS225 4.6 21.1 1.0 CA A:HIS225 4.6 19.9 1.0 C A:HIS225 4.6 25.9 1.0 NE2 A:HIS225 4.9 29.0 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl800 b:46.2 occ:1.00 O B:HOH406 3.3 26.3 1.0 O B:HOH685 3.3 27.5 1.0 NE2 B:GLN260 3.4 52.3 1.0 CG B:GLN260 3.6 46.4 1.0 O B:HOH457 3.8 35.1 1.0 CD B:GLN260 4.0 64.2 1.0 NH2 B:ARG271 4.5 31.5 1.0 OE1 B:GLU263 4.6 47.7 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl279 b:42.6 occ:1.00 N B:ASN204 3.3 23.2 1.0 ND2 B:ASN204 3.3 22.6 1.0 OG1 B:THR203 3.5 28.8 1.0 O B:HOH503 3.6 28.8 1.0 CD2 B:HIS225 3.8 27.7 1.0 CB B:HIS225 3.9 21.6 1.0 CB B:ASN204 3.9 23.6 1.0 CA B:THR203 3.9 24.9 1.0 C B:THR203 4.0 27.7 1.0 CG1 B:ILE224 4.0 21.8 1.0 CG B:ASN204 4.1 31.5 1.0 CA B:ASN204 4.2 22.7 1.0 CG B:HIS225 4.2 25.3 1.0 CD1 B:ILE224 4.3 20.1 1.0 CB B:THR203 4.3 27.7 1.0 O B:HOH305 4.5 28.0 1.0 O B:HOH288 4.5 17.4 1.0 O B:HIS225 4.6 19.6 1.0 N B:HIS225 4.8 22.0 1.0 CA B:HIS225 4.8 21.0 1.0 C B:HIS225 4.9 22.2 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl278 b:34.9 occ:1.00 N C:ASN204 3.2 18.6 1.0 O C:HOH296 3.3 21.8 1.0 ND2 C:ASN204 3.5 22.9 1.0 CE1 C:HIS247 3.7 37.9 1.0 OG1 C:THR203 3.7 26.5 1.0 CB C:HIS225 3.8 20.2 1.0 CA C:THR203 3.8 18.1 1.0 C C:THR203 3.9 20.3 1.0 CB C:ASN204 4.0 22.9 1.0 CD2 C:HIS225 4.0 25.8 1.0 CG1 C:ILE224 4.0 20.3 1.0 ND1 C:HIS247 4.1 37.4 1.0 CA C:ASN204 4.2 19.8 1.0 CD1 C:ILE224 4.3 24.0 1.0 CG C:ASN204 4.3 29.1 1.0 CG C:HIS225 4.3 24.0 1.0 CB C:THR203 4.4 22.8 1.0 O C:HOH301 4.5 18.1 1.0 O C:HOH300 4.6 21.3 1.0 O C:HIS225 4.7 19.8 1.0 N C:HIS225 4.7 20.4 1.0 NE2 C:HIS247 4.8 38.1 1.0 CA C:HIS225 4.8 19.5 1.0 C C:HIS225 5.0 21.5 1.0 O C:HOH383 5.0 26.2 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl277 b:39.5 occ:1.00 N D:ASN204 3.3 20.3 1.0 ND2 D:ASN204 3.4 19.1 1.0 OG1 D:THR203 3.4 25.7 1.0 CB D:HIS225 3.8 22.8 1.0 CD2 D:HIS225 3.8 28.3 1.0 CB D:ASN204 3.8 22.7 1.0 CA D:THR203 4.0 21.2 1.0 CG D:ASN204 4.1 20.2 1.0 C D:THR203 4.1 23.9 1.0 CG D:HIS225 4.2 26.5 1.0 CG1 D:ILE224 4.2 22.0 1.0 CA D:ASN204 4.2 21.0 1.0 CB D:THR203 4.3 31.3 1.0 CD1 D:ILE224 4.4 16.1 1.0 O D:HIS225 4.5 20.5 1.0 CA D:HIS225 4.7 22.6 1.0 N D:HIS225 4.7 23.7 1.0 O D:HOH312 4.7 18.1 1.0 C D:HIS225 4.8 23.8 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl277 b:41.6 occ:1.00 ND2 E:ASN204 3.1 16.4 1.0 N E:ASN204 3.2 18.6 1.0 OG1 E:THR203 3.5 22.9 1.0 CB E:ASN204 3.7 21.7 1.0 CB E:HIS225 3.8 18.6 1.0 CG E:ASN204 3.9 21.3 1.0 CD2 E:HIS225 3.9 24.0 1.0 CG1 E:ILE224 4.0 17.4 1.0 CA E:THR203 4.0 18.5 1.0 C E:THR203 4.0 22.4 1.0 CA E:ASN204 4.0 19.3 1.0 CG E:HIS225 4.3 22.6 1.0 CB E:THR203 4.4 21.5 1.0 O E:HIS225 4.4 18.6 1.0 O E:HOH329 4.5 20.3 1.0 CD1 E:ILE224 4.6 18.6 1.0 O E:HOH336 4.6 21.7 1.0 N E:HIS225 4.6 20.9 1.0 CA E:HIS225 4.7 18.4 1.0 C E:HIS225 4.8 22.8 1.0 O E:HOH549 4.9 30.3 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus


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 NIF3 Superfamily Protein From Sphaerobacter Thermophilus within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl277 b:33.9 occ:1.00 N F:ASN204 3.3 17.8 1.0 ND2 F:ASN204 3.3 17.7 1.0 O F:HOH291 3.6 16.5 1.0 OG1 F:THR203 3.7 26.5 1.0 CB F:HIS225 3.8 18.5 1.0 CA F:THR203 3.9 17.3 1.0 CB F:ASN204 3.9 21.4 1.0 CD2 F:HIS225 4.0 23.1 1.0 C F:THR203 4.0 19.3 1.0 CG1 F:ILE224 4.0 16.0 1.0 CE1 F:HIS247 4.1 35.5 1.0 CG F:ASN204 4.1 30.2 1.0 O F:HOH461 4.2 28.4 1.0 CA F:ASN204 4.2 17.3 1.0 ND1 F:HIS247 4.2 33.7 1.0 CG F:HIS225 4.3 21.9 1.0 CD1 F:ILE224 4.3 20.0 1.0 O F:HIS225 4.4 18.3 1.0 CB F:THR203 4.5 23.9 1.0 O F:HOH303 4.5 15.2 1.0 N F:HIS225 4.7 18.4 1.0 O F:HOH304 4.7 18.8 1.0 CA F:HIS225 4.7 17.9 1.0 C F:HIS225 4.8 20.9 1.0 O F:HOH347 5.0 26.5 1.0

K.Michalska, C.Tesar, S.Clancy, Z.Otwinowski, A.Joachimiak. Crystal Structure of NIF3 Superfamily Protein From Sphaerobacter Thermophilus To Be Published.