Chlorine in PDB 4ibo: Crystal Structure of A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446)

The structure of Crystal Structure of A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446), PDB code: 4ibo was solved by M.W.Vetting, J.T.Bouvier, F.Groninger-Poe, L.L.Morisco, S.R.Wasserman, S.Sojitra, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative(Efi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.29 / 2.10
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	135.783, 135.783, 126.165, 90.00, 90.00, 120.00
R / Rfree (%)	15.2 / 18.7

The structure of Crystal Structure of A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446) also contains other interesting chemical elements:

Magnesium

(Mg)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446) (pdb code 4ibo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446), PDB code: 4ibo:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal Structure of A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446)


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 A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:35.5 occ:1.00 OG A:SER20 2.9 33.2 1.0 N A:ASP44 3.3 39.4 1.0 N A:THR43 3.5 30.7 1.0 CB A:ASP44 3.7 41.9 1.0 CB A:SER20 3.7 28.5 1.0 CB A:ARG47 3.7 31.1 1.0 O A:HOH575 3.7 40.5 1.0 CA A:GLY42 3.8 21.9 1.0 O A:ASP44 3.8 29.0 1.0 CG A:ARG47 3.8 46.0 1.0 C A:GLY42 3.9 27.4 1.0 CA A:ASP44 3.9 34.9 1.0 O A:HOH443 4.1 36.5 1.0 C A:ASP44 4.3 31.3 1.0 OG1 A:THR43 4.3 44.8 1.0 C A:THR43 4.3 37.5 1.0 CG2 A:VAL48 4.3 21.3 1.0 CA A:THR43 4.4 32.4 1.0 N A:VAL48 4.7 22.5 1.0 O A:GLY42 4.9 22.9 1.0 CG A:ASP44 4.9 49.1 1.0 N A:GLY42 4.9 22.8 1.0 CA A:ARG47 4.9 28.1 1.0

Chlorine binding site 2 out of 4 in the Crystal Structure of A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446)


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 A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446) within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl301 b:56.1 occ:1.00 CD B:GLN224 3.0 71.0 1.0 N B:GLN224 3.2 26.2 1.0 CG B:GLN224 3.3 56.2 1.0 OE1 B:GLN224 3.3 81.8 1.0 CD B:PRO223 3.3 32.2 1.0 NE2 B:GLN224 3.4 64.9 1.0 N B:PRO223 3.6 27.8 1.0 CB B:GLN224 3.6 39.8 1.0 CB B:LYS222 3.7 39.5 1.0 CB B:PRO223 4.0 30.4 1.0 CA B:GLN224 4.0 29.9 1.0 CG B:PRO223 4.0 31.9 1.0 C B:LYS222 4.1 28.5 1.0 C B:PRO223 4.1 30.5 1.0 CA B:PRO223 4.1 30.2 1.0 CA B:LYS222 4.3 34.4 1.0 O B:HOH526 4.5 43.8 1.0 CD B:LYS222 4.7 57.0 1.0 CG B:LYS222 4.7 50.5 1.0 O B:LYS222 4.8 26.1 1.0

Chlorine binding site 3 out of 4 in the Crystal Structure of A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446)


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 A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446) within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl302 b:63.4 occ:1.00 N C:GLN224 3.1 17.3 1.0 CD C:GLN224 3.3 71.7 1.0 CG C:GLN224 3.3 53.2 1.0 CD C:PRO223 3.4 31.3 1.0 CB C:GLN224 3.5 35.5 1.0 NE2 C:GLN224 3.5 72.0 1.0 N C:PRO223 3.6 30.1 1.0 CB C:PRO223 3.7 29.6 1.0 OE1 C:GLN224 3.8 79.4 1.0 CG C:PRO223 3.8 33.6 1.0 CA C:GLN224 3.9 31.5 1.0 CB C:LYS222 4.0 29.9 1.0 C C:PRO223 4.0 25.3 1.0 CA C:PRO223 4.0 29.2 1.0 C C:LYS222 4.2 25.3 1.0 CA C:LYS222 4.5 23.0 1.0 O C:HOH470 4.7 44.9 1.0 O C:LYS222 4.8 26.9 1.0 CG C:LYS222 5.0 41.3 1.0

Chlorine binding site 4 out of 4 in the Crystal Structure of A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446)


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 A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446) within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl302 b:64.8 occ:1.00 N D:GLN224 3.0 31.0 1.0 CB D:GLN224 3.3 39.2 1.0 CD D:PRO223 3.4 35.4 1.0 N D:PRO223 3.5 36.6 1.0 CA D:GLN224 3.7 31.3 1.0 CB D:LYS222 3.7 35.1 1.0 CB D:PRO223 3.8 39.4 1.0 C D:PRO223 3.9 32.2 1.0 CA D:PRO223 4.0 38.9 1.0 CG D:PRO223 4.0 42.1 1.0 C D:LYS222 4.0 34.4 1.0 CA D:LYS222 4.4 34.0 1.0 CG D:GLN224 4.6 58.3 1.0 O D:LYS222 4.7 32.1 1.0 CG D:LYS222 4.8 49.9 1.0 O D:HOH515 4.9 47.3 1.0 C D:GLN224 4.9 29.1 1.0

M.W.Vetting, J.T.Bouvier, F.Groninger-Poe, L.L.Morisco, S.R.Wasserman, S.Sojitra, H.J.Imker, J.A.Gerlt, S.C.Almo, Enzyme Function Initiative (Efi). Crystal Structure of A Putative Gluconate Dehydrogenase From Agrobacterium Tumefaciens (Target Efi-506446) To Be Published.