Chlorine in PDB 4ecd: 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase

All present enzymatic activity of 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase:
4.2.3.5;

The structure of 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase, PDB code: 4ecd was solved by S.H.Light, G.Minasov, S.N.Krishna, L.Shuvalova, K.Kwon, A.Lavie, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.54 / 2.50
Space group	P 42 21 2
Cell size a, b, c (Å), α, β, γ (°)	123.944, 123.944, 97.884, 90.00, 90.00, 90.00
R / Rfree (%)	19.7 / 25.3

The binding sites of Chlorine atom in the 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase (pdb code 4ecd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase, PDB code: 4ecd:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:53.9 occ:1.00 N A:ALA377 2.9 48.7 1.0 O A:HOH552 3.1 25.5 0.5 CB A:ALA377 3.2 47.6 1.0 OG A:SER375 3.3 52.4 1.0 CB A:SER375 3.3 47.9 1.0 N A:VAL376 3.5 46.4 1.0 CA A:ALA377 3.6 50.5 1.0 C A:VAL376 3.9 47.0 1.0 CB A:VAL376 4.0 47.8 1.0 CA A:VAL376 4.0 46.8 1.0 C A:SER375 4.0 47.3 1.0 CA A:SER375 4.2 47.4 1.0 O A:ALA24 4.3 35.3 1.0 CA A:GLY25 4.5 35.6 1.0 C A:ALA377 4.8 52.4 1.0 CG2 A:VAL376 4.8 45.9 1.0 N A:GLU378 4.8 54.1 1.0 O A:SER375 4.8 53.0 1.0 O A:HOH552 4.9 11.1 0.5 C A:ALA24 5.0 34.6 1.0

Chlorine binding site 2 out of 4 in the 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:55.4 occ:1.00 O A:HOH554 2.9 45.5 1.0 N A:GLY171 3.3 0.2 1.0 CA A:GLY221 3.6 40.0 1.0 N A:GLY170 3.8 42.2 1.0 CA A:GLY171 4.0 0.9 1.0 N A:GLY221 4.1 41.2 1.0 C A:LEU169 4.2 40.1 1.0 C A:GLY170 4.3 42.9 1.0 C A:GLY221 4.3 37.6 1.0 N A:LEU169 4.3 36.6 1.0 O A:GLY220 4.3 45.4 1.0 CB A:ALA168 4.3 35.6 1.0 CA A:GLY170 4.4 43.0 1.0 C A:GLY220 4.4 44.0 1.0 CA A:LEU169 4.4 37.5 1.0 C A:ALA168 4.6 35.2 1.0 N A:VAL222 4.6 36.4 1.0 O B:ALA269 4.6 71.7 1.0 O A:ALA168 4.8 35.9 1.0 C A:GLY171 4.8 0.9 1.0 CG2 A:VAL222 4.9 35.5 1.0 O A:LEU169 4.9 43.1 1.0

Chlorine binding site 3 out of 4 in the 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:42.0 occ:1.00 O B:HOH527 3.2 36.6 1.0 O B:HOH525 3.2 34.5 1.0 O B:HOH526 3.3 43.8 1.0 CE B:LYS151 3.7 36.9 1.0 NZ B:LYS151 4.0 37.1 1.0 CD B:ARG161 4.2 45.6 1.0 CB B:ARG161 4.3 38.9 1.0 O B:THR162 4.5 33.6 1.0 CB B:PRO183 4.5 44.2 1.0 CG B:ARG161 4.6 42.3 1.0 NH2 B:ARG360 4.8 31.9 1.0 CD B:LYS151 4.8 34.4 1.0 CD2 B:LEU186 4.8 41.8 1.0 NH1 B:ARG161 4.9 53.0 1.0

Chlorine binding site 4 out of 4 in the 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:46.8 occ:1.00 O B:HOH501 2.6 34.3 1.0 N B:GLY171 3.3 44.1 1.0 CA B:GLY221 3.8 36.1 1.0 O B:HOH560 3.9 58.3 1.0 CA B:GLY171 3.9 45.6 1.0 N B:GLY170 3.9 42.4 1.0 CB B:ALA168 4.0 32.5 1.0 N B:GLY221 4.1 38.2 1.0 N B:LEU169 4.2 34.7 1.0 C B:ALA168 4.3 33.3 1.0 C B:GLY221 4.3 34.5 1.0 C B:LEU169 4.3 39.3 1.0 O B:GLY220 4.3 39.9 1.0 C B:GLY220 4.3 41.1 1.0 C B:GLY170 4.4 44.8 1.0 CA B:LEU169 4.4 36.4 1.0 CG2 B:VAL222 4.5 31.9 1.0 N B:VAL222 4.5 33.1 1.0 O B:ALA168 4.5 32.9 1.0 CA B:GLY170 4.5 43.6 1.0 C B:GLY171 4.7 46.2 1.0 CA B:ALA168 4.8 32.8 1.0 O B:GLY221 4.9 33.2 1.0 O B:LEU169 5.0 40.8 1.0

S.H.Light, G.Minasov, S.N.Krishna, L.Shuvalova, K.Kwon, A.Lavie, W.F.Anderson. 2.5 Angstrom Resolution Crystal Structure of Bifidobacterium Longum Chorismate Synthase To Be Published.