Chlorine in PDB 2rir: Crystal Structure of Dipicolinate Synthase, A Chain, From Bacillus Subtilis

The structure of Crystal Structure of Dipicolinate Synthase, A Chain, From Bacillus Subtilis, PDB code: 2rir was solved by J.Osipiuk, P.Quartey, S.Moy, A.Joachimiak, Midwest Center For Structuralgenomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 2.79
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	261.578, 75.108, 200.464, 90.00, 119.74, 90.00
R / Rfree (%)	19.9 / 24.9

The binding sites of Chlorine atom in the Crystal Structure of Dipicolinate Synthase, A Chain, From Bacillus Subtilis (pdb code 2rir). 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 Dipicolinate Synthase, A Chain, From Bacillus Subtilis, PDB code: 2rir:
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 Dipicolinate Synthase, A Chain, From Bacillus Subtilis


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 Dipicolinate Synthase, A Chain, From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:44.1 occ:1.00 N A:SER187 3.6 25.0 1.0 OG A:SER187 3.7 24.3 1.0 CB A:SER187 4.1 23.9 1.0 CA A:SER186 4.2 25.3 1.0 C A:SER186 4.4 25.4 1.0 CA A:SER187 4.5 24.3 1.0 CB A:SER186 4.7 25.4 1.0

Chlorine binding site 2 out of 7 in the Crystal Structure of Dipicolinate Synthase, A Chain, From Bacillus Subtilis


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 Dipicolinate Synthase, A Chain, From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:46.6 occ:1.00 N B:SER187 3.8 31.0 1.0 CB B:SER187 4.3 31.3 1.0 CA B:SER186 4.3 30.1 1.0 OG B:SER187 4.5 33.7 1.0 CB B:SER186 4.5 29.9 1.0 C B:SER186 4.6 30.4 1.0 CA B:SER187 4.7 31.1 1.0

Chlorine binding site 3 out of 7 in the Crystal Structure of Dipicolinate Synthase, A Chain, From Bacillus Subtilis


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 Dipicolinate Synthase, A Chain, From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl504 b:40.0 occ:1.00 OG D:SER187 3.3 33.7 1.0 N D:SER187 3.9 32.8 1.0 CB D:SER187 4.1 31.7 1.0 NZ A:LYS286 4.6 46.8 1.0 CA D:SER186 4.6 32.3 1.0 CA D:SER187 4.7 31.9 1.0 C D:SER186 4.8 32.7 1.0 CB D:SER186 5.0 32.4 1.0

Chlorine binding site 4 out of 7 in the Crystal Structure of Dipicolinate Synthase, A Chain, From Bacillus Subtilis


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 Dipicolinate Synthase, A Chain, From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ E:Cl505 b:44.9 occ:1.00 OG E:SER187 3.7 27.4 1.0 N E:SER187 3.8 27.1 1.0 CB E:SER187 4.0 26.8 1.0 CA E:SER186 4.5 26.9 1.0 CA E:SER187 4.5 26.9 1.0 C E:SER186 4.6 26.9 1.0 NZ F:LYS286 4.7 36.6 1.0 CB E:SER186 4.9 26.9 1.0

Chlorine binding site 5 out of 7 in the Crystal Structure of Dipicolinate Synthase, A Chain, From Bacillus Subtilis


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 Dipicolinate Synthase, A Chain, From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ G:Cl507 b:51.4 occ:1.00 N G:SER187 3.8 24.8 1.0 OG G:SER187 3.8 27.0 1.0 CA G:SER186 4.3 24.4 1.0 CB G:SER187 4.4 25.2 1.0 CB G:SER186 4.4 23.9 1.0 O H:HOH517 4.6 29.9 1.0 C G:SER186 4.6 24.7 1.0 CA G:SER187 4.7 25.1 1.0

Chlorine binding site 6 out of 7 in the Crystal Structure of Dipicolinate Synthase, A Chain, From Bacillus Subtilis


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 Dipicolinate Synthase, A Chain, From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl508 b:38.0 occ:1.00 N H:SER187 3.7 23.6 1.0 CB H:SER187 4.0 22.3 1.0 OG H:SER187 4.0 22.9 1.0 CA H:SER187 4.5 22.5 1.0 CA H:SER186 4.6 24.8 1.0 C H:SER186 4.7 24.5 1.0

Chlorine binding site 7 out of 7 in the Crystal Structure of Dipicolinate Synthase, A Chain, From Bacillus Subtilis


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 Dipicolinate Synthase, A Chain, From Bacillus Subtilis within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl509 b:43.0 occ:1.00 O H:LEU63 2.9 30.1 1.0 NE2 H:GLN16 3.4 27.8 1.0 C H:LEU63 4.1 30.3 1.0 C H:PRO64 4.1 32.4 1.0 N H:VAL65 4.2 33.9 1.0 CG2 H:ILE62 4.2 26.8 1.0 CD1 H:ILE19 4.4 19.8 1.0 CA H:PRO64 4.4 31.8 1.0 CD1 H:LEU280 4.4 17.8 1.0 O H:PRO64 4.4 31.7 1.0 CD2 H:LEU280 4.5 19.2 1.0 N H:GLY102 4.5 35.3 1.0 CD1 H:LEU122 4.5 27.6 1.0 C H:SER101 4.6 34.8 1.0 CA H:VAL65 4.6 35.4 1.0 CA H:SER101 4.7 34.6 1.0 CD H:GLN16 4.7 28.6 1.0 CG2 H:VAL65 4.7 35.6 1.0 N H:PRO64 4.7 31.1 1.0 CD1 H:LEU284 4.8 19.0 1.0 CG H:LEU280 4.9 19.9 1.0 O H:PHE100 4.9 33.1 1.0

J.Osipiuk, P.Quartey, S.Moy, A.Joachimiak. Crystal Structure of Dipicolinate Synthase, A Chain, From Bacillus Subtilis. To Be Published.