Chlorine in PDB 3qfe: Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis

The structure of Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis, PDB code: 3qfe was solved by Seattle Structural Genomics Center For Infectious Disease (Ssgcid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.35
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	89.760, 89.760, 371.460, 90.00, 90.00, 120.00
R / Rfree (%)	19.9 / 23.4

The structure of Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Chlorine atom in the Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis (pdb code 3qfe). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis, PDB code: 3qfe:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl316 b:79.2 occ:1.00 OG A:SER314 2.9 33.3 1.0 O A:HOH354 3.5 17.6 1.0 O A:HOH403 3.8 39.4 1.0 OH A:TYR36 4.0 30.6 1.0 O A:GLU310 4.0 31.0 1.0 CB A:ALA272 4.1 31.2 1.0 CA A:ALA311 4.1 33.4 1.0 CB A:SER314 4.2 32.0 1.0 CG A:GLU310 4.2 32.0 1.0 C A:GLU310 4.4 32.4 1.0 N A:ALA311 4.4 32.6 1.0 C A:SER314 4.4 33.2 1.0 OXT A:SER314 4.5 33.4 1.0 O A:HOH349 4.5 32.4 1.0 O A:SER314 4.6 33.8 1.0 CB A:ALA311 4.8 33.8 1.0 CA A:SER314 4.9 32.9 1.0 O A:HOH348 4.9 22.8 1.0

Chlorine binding site 2 out of 6 in the Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl317 b:73.9 occ:1.00 O A:ILE275 3.9 32.1 1.0 CA A:GLY274 4.0 30.1 1.0 C A:GLY274 4.1 30.3 1.0 O A:LYS271 4.2 33.5 1.0 C A:ILE275 4.2 32.0 1.0 N A:ILE275 4.3 29.6 1.0 O A:HOH398 4.3 33.3 1.0 CG A:LYS271 4.4 38.5 1.0 N A:GLU276 4.5 33.5 1.0 O A:GLY274 4.5 29.9 1.0 CA A:GLU276 4.6 36.4 1.0 CG A:GLU276 4.7 44.2 1.0 CA A:LYS271 4.7 33.6 1.0 N A:GLY274 4.9 29.7 1.0 CA A:ILE275 4.9 30.5 1.0 C A:LYS271 4.9 33.0 1.0

Chlorine binding site 3 out of 6 in the Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl318 b:76.0 occ:1.00 OE1 A:GLU31 3.3 45.3 1.0 O A:LEU27 3.9 29.5 1.0 NZ A:LYS71 4.0 50.1 1.0 CB A:LEU27 4.1 29.4 1.0 C A:LEU27 4.1 29.9 1.0 CD A:GLU31 4.2 39.0 1.0 CB A:GLU31 4.3 26.9 1.0 N A:ALA28 4.4 30.3 1.0 CA A:ALA28 4.6 30.6 1.0 CG2 A:THR68 4.7 25.8 1.0 OG1 A:THR68 4.7 25.9 1.0 CG A:GLU31 4.7 31.3 1.0 CA A:LEU27 4.7 29.4 1.0 CE A:LYS71 4.9 46.7 1.0 CD A:LYS71 5.0 43.0 1.0

Chlorine binding site 4 out of 6 in the Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl316 b:82.3 occ:1.00 NZ B:LYS223 3.5 39.8 1.0 CA B:ALA311 3.7 38.5 1.0 O B:HOH363 4.0 22.8 1.0 O B:GLU310 4.0 35.6 1.0 OH B:TYR36 4.1 31.3 1.0 O B:HOH417 4.1 31.3 1.0 N B:ALA311 4.2 37.1 1.0 C B:GLU310 4.3 36.1 1.0 CG B:GLU310 4.3 32.3 1.0 CB B:ALA272 4.3 35.5 1.0 O B:HOH378 4.4 30.8 1.0 CB B:ALA311 4.5 39.5 1.0 O B:ALA311 4.6 39.6 1.0 C B:ALA311 4.6 39.2 1.0 O B:HOH376 4.7 23.1 1.0 CE B:LYS223 4.8 38.8 1.0 O B:HOH377 4.9 26.1 1.0 CD B:LYS223 5.0 38.4 1.0

Chlorine binding site 5 out of 6 in the Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl317 b:40.9 occ:0.50 NZ B:LYS227 3.4 47.8 1.0 N B:SER314 3.5 40.8 1.0 OG B:SER314 3.8 44.2 1.0 CD2 B:LEU313 3.8 34.8 1.0 O B:HOH380 4.0 22.0 1.0 CA B:LEU313 4.1 39.1 1.0 CB B:SER314 4.1 42.8 1.0 C B:LEU313 4.3 39.6 1.0 CE B:LYS227 4.4 44.4 1.0 CA B:SER314 4.4 42.4 1.0 CB B:LEU313 4.6 36.7 1.0 O B:GLY312 4.6 40.5 1.0 CD B:LYS227 4.8 42.1 1.0 CG B:LEU313 4.8 37.5 1.0

Chlorine binding site 6 out of 6 in the Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl318 b:73.2 occ:1.00 NE B:ARG59 3.9 34.6 1.0 CZ B:ARG59 4.1 36.9 1.0 NH2 B:ARG59 4.1 35.4 1.0 OD1 B:ASP97 4.3 37.8 1.0 CG B:ASP97 4.5 33.4 1.0 OD2 B:ASP97 4.5 34.6 1.0 CB B:ALA63 4.5 29.7 1.0 CD B:ARG59 4.6 33.8 1.0 CG B:GLU60 4.6 43.2 1.0 CA B:GLU60 4.7 33.3 1.0 NH1 B:ARG59 4.7 37.1 1.0 O B:HOH346 4.8 22.9 1.0 CG B:ARG59 4.9 30.3 1.0

T.E.Edwards, A.S.Gardberg, B.Sankaran, Seattle Structural Genomics Center For Infectious Disease(Ssgcid). Crystal Structures of A Putative Dihydrodipicolinate Synthase Family Protein From Coccidioides Immitis To Be Published.