Chlorine in PDB 4idg: Crystal Structure of A Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2

The structure of Crystal Structure of A Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2, PDB code: 4idg was solved by M.W.Vetting, 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)	35.75 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	77.388, 57.703, 95.418, 90.00, 108.68, 90.00
R / Rfree (%)	17.7 / 21.6

The binding sites of Chlorine atom in the Crystal Structure of A Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2 (pdb code 4idg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of A Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2, PDB code: 4idg:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of A Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2


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 Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:21.4 occ:1.00 NH1 A:ARG185 3.2 24.4 1.0 NH1 A:ARG179 3.4 28.4 1.0 O A:HOH739 3.4 27.9 1.0 CD2 A:PHE222 3.6 21.0 1.0 CG A:ARG179 3.7 28.7 1.0 NH2 A:ARG185 3.8 19.3 1.0 CE2 A:PHE222 3.8 23.8 1.0 CZ A:ARG185 3.9 26.5 1.0 CE2 A:PHE260 4.3 22.8 1.0 CD A:ARG179 4.4 29.2 1.0 CZ A:ARG179 4.5 25.7 1.0 CB A:ARG179 4.7 19.9 1.0 CA A:ARG179 4.7 20.7 1.0 CB A:ALA214 4.8 17.7 1.0 NE A:ARG179 4.9 26.9 1.0 CG A:PHE222 4.9 16.5 1.0 CZ A:PHE260 4.9 18.8 1.0 O A:ARG179 5.0 21.9 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of A Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2


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 Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl402 b:30.6 occ:1.00 NH1 B:ARG179 3.2 25.4 1.0 NH1 B:ARG185 3.4 41.0 1.0 CD2 B:PHE222 3.5 33.5 1.0 CG B:ARG179 3.5 35.0 1.0 CE2 B:PHE222 3.7 34.7 1.0 O B:HOH557 3.8 29.9 1.0 CD B:ARG179 4.2 36.0 1.0 CE2 B:PHE260 4.2 33.3 1.0 NH2 B:ARG185 4.2 29.7 1.0 CZ B:ARG185 4.3 38.8 1.0 CZ B:ARG179 4.4 31.0 1.0 O B:HOH570 4.6 46.2 1.0 CB B:ARG179 4.6 23.6 1.0 NE B:ARG179 4.7 31.4 1.0 CG B:PHE222 4.7 33.0 1.0 CA B:ARG179 4.7 24.8 1.0 CZ B:PHE260 4.8 29.6 1.0 CB B:ALA214 4.8 33.8 1.0 SD B:MET224 4.9 31.8 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of A Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2


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 Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl404 b:49.0 occ:1.00 N B:GLY48 2.8 22.5 1.0 NH1 B:ARG88 2.9 26.6 1.0 O B:GLU46 3.4 17.7 1.0 CA B:GLY48 3.6 24.7 1.0 C B:ASP47 3.8 23.9 1.0 NH2 B:ARG88 3.8 26.2 1.0 CZ B:ARG88 3.8 26.3 1.0 CA B:ASP47 3.8 23.2 1.0 OD1 B:ASP47 4.3 45.4 1.0 O B:HOH629 4.3 36.0 1.0 C B:GLU46 4.3 19.2 1.0 O B:HOH690 4.4 46.9 1.0 N B:ASP47 4.5 16.9 1.0 C B:GLY48 4.7 28.5 1.0 N B:GLN49 4.8 33.1 1.0 O B:ASP47 4.9 19.1 1.0 CB B:ASP47 5.0 24.8 1.0

M.W.Vetting, 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 Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 2 To Be Published.