Chlorine in PDB 4id9: Crystal Structure of A Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 1

The structure of Crystal Structure of A Short-Chain Dehydrogenase/Reductase Superfamily Protein From Agrobacterium Tumefaciens (Target Efi-506441) with Bound Nad, Monoclinic Form 1, PDB code: 4id9 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)	29.25 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.356, 74.426, 95.341, 90.00, 97.10, 90.00
R / Rfree (%)	18.1 / 21.3

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 1 (pdb code 4id9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 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 1, PDB code: 4id9:
Jump to Chlorine binding site number: 1; 2;

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


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 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl402 b:25.7 occ:1.00 O A:HOH739 2.8 32.0 1.0 O A:HOH538 3.1 23.7 1.0 NH1 A:ARG185 3.3 18.0 1.0 NH1 A:ARG179 3.5 21.4 1.0 CD A:ARG179 3.6 19.9 1.0 CD2 A:PHE222 3.6 15.6 1.0 NH2 A:ARG185 3.8 17.8 1.0 CE A:MET224 3.8 16.3 0.5 CE2 A:PHE222 3.8 17.6 1.0 CZ A:ARG185 4.0 22.2 1.0 CG A:ARG179 4.2 18.4 1.0 CE2 A:PHE260 4.2 15.6 1.0 CZ A:ARG179 4.4 19.9 1.0 NE A:ARG179 4.5 22.0 1.0 CA A:ARG179 4.6 15.6 1.0 CB A:ARG179 4.7 14.4 1.0 CB A:ALA214 4.8 16.5 1.0 O A:ARG179 4.8 13.8 1.0 O A:HOH560 4.8 29.7 1.0 CG A:PHE222 4.9 14.8 1.0 CZ A:PHE260 4.9 15.8 1.0 SD A:MET224 5.0 19.5 0.5

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


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 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl401 b:21.7 occ:1.00 O B:HOH629 2.9 27.5 1.0 O B:HOH512 3.1 18.5 1.0 NH1 B:ARG185 3.2 16.8 1.0 NH2 B:ARG179 3.4 17.1 1.0 CD2 B:PHE222 3.6 11.1 1.0 CD B:ARG179 3.7 22.1 1.0 CE2 B:PHE222 3.8 11.9 1.0 NH2 B:ARG185 3.9 16.8 1.0 CZ B:ARG185 4.0 18.5 1.0 CE2 B:PHE260 4.2 15.3 1.0 CZ B:ARG179 4.4 17.3 1.0 CG B:ARG179 4.5 17.2 1.0 NE B:ARG179 4.5 19.3 1.0 CZ B:PHE260 4.8 13.4 1.0 CA B:ARG179 4.8 9.8 1.0 CB B:ALA214 4.8 11.2 1.0 O B:HOH579 4.9 24.4 1.0 CG B:PHE222 4.9 13.3 1.0 SD B:MET224 4.9 14.2 1.0 CB B:ARG179 5.0 10.0 1.0 O B:HOH663 5.0 30.4 1.0 O B:ARG179 5.0 11.9 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 1 To Be Published.