Zinc in PDB 4ilk: Crystal Structure of Short Chain Alcohol Dehydrogenase (Rspb) From E. Coli CFT073 (Efi Target Efi-506413) Complexed with Cofactor Nadh

The structure of Crystal Structure of Short Chain Alcohol Dehydrogenase (Rspb) From E. Coli CFT073 (Efi Target Efi-506413) Complexed with Cofactor Nadh, PDB code: 4ilk was solved by T.Lukk, D.Wichelecki, H.J.Imker, J.A.Gerlt, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.53 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	47.322, 97.133, 144.101, 90.00, 90.00, 90.00
R / Rfree (%)	16.5 / 21.8

The structure of Crystal Structure of Short Chain Alcohol Dehydrogenase (Rspb) From E. Coli CFT073 (Efi Target Efi-506413) Complexed with Cofactor Nadh also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Short Chain Alcohol Dehydrogenase (Rspb) From E. Coli CFT073 (Efi Target Efi-506413) Complexed with Cofactor Nadh (pdb code 4ilk). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Short Chain Alcohol Dehydrogenase (Rspb) From E. Coli CFT073 (Efi Target Efi-506413) Complexed with Cofactor Nadh, PDB code: 4ilk:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Short Chain Alcohol Dehydrogenase (Rspb) From E. Coli CFT073 (Efi Target Efi-506413) Complexed with Cofactor Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Short Chain Alcohol Dehydrogenase (Rspb) From E. Coli CFT073 (Efi Target Efi-506413) Complexed with Cofactor Nadh within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn403 b:30.1 occ:1.00 SG A:CYS92 2.4 26.2 1.0 SG A:CYS103 2.4 25.3 1.0 SG A:CYS95 2.5 25.5 1.0 SG A:CYS89 2.5 30.3 1.0 CB A:CYS103 3.2 21.2 1.0 CB A:CYS89 3.4 33.9 1.0 CB A:CYS95 3.4 21.3 1.0 N A:CYS89 3.5 27.8 1.0 CB A:CYS92 3.5 35.1 1.0 N A:GLY90 3.5 34.3 1.0 CA A:CYS103 3.6 24.4 1.0 N A:CYS92 3.8 35.8 1.0 CA A:CYS89 3.8 31.3 1.0 O A:HOH546 3.9 33.6 1.0 N A:THR104 4.0 27.8 1.0 C A:CYS89 4.1 39.8 1.0 CA A:CYS92 4.2 30.0 1.0 C A:CYS103 4.2 31.4 1.0 N A:HIS91 4.3 34.2 1.0 N A:CYS95 4.4 20.8 1.0 CA A:CYS95 4.5 24.4 1.0 CB A:SER88 4.5 26.4 1.0 CA A:GLY90 4.6 36.6 1.0 C A:SER88 4.6 30.8 1.0 C A:CYS92 4.8 28.1 1.0 OG1 A:THR104 4.8 30.9 1.0 C A:GLY90 4.8 33.6 1.0 O A:CYS92 4.9 27.8 1.0 CA A:SER88 4.9 29.2 1.0 OG1 A:THR105 4.9 28.0 1.0 N A:THR105 4.9 28.9 1.0 N A:CYS103 4.9 17.7 1.0 C A:HIS91 4.9 43.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Short Chain Alcohol Dehydrogenase (Rspb) From E. Coli CFT073 (Efi Target Efi-506413) Complexed with Cofactor Nadh


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Short Chain Alcohol Dehydrogenase (Rspb) From E. Coli CFT073 (Efi Target Efi-506413) Complexed with Cofactor Nadh within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn403 b:26.2 occ:1.00 SG B:CYS92 2.3 22.3 1.0 SG B:CYS103 2.4 22.8 1.0 SG B:CYS89 2.5 24.9 1.0 SG B:CYS95 2.5 25.7 1.0 CB B:CYS103 3.1 17.9 1.0 CB B:CYS95 3.3 23.9 1.0 CB B:CYS92 3.4 23.8 1.0 CB B:CYS89 3.5 24.4 1.0 N B:CYS89 3.5 25.9 1.0 O B:HOH526 3.7 34.1 1.0 N B:GLY90 3.7 26.7 1.0 CA B:CYS103 3.7 23.3 1.0 N B:CYS92 3.7 22.7 1.0 CA B:CYS89 3.9 28.0 1.0 N B:THR104 4.1 23.0 1.0 CA B:CYS92 4.2 23.6 1.0 C B:CYS89 4.2 36.0 1.0 N B:HIS91 4.3 30.0 1.0 C B:CYS103 4.3 26.3 1.0 N B:CYS95 4.3 23.8 1.0 CA B:CYS95 4.4 20.2 1.0 OG1 B:THR104 4.6 28.7 1.0 C B:SER88 4.6 22.2 1.0 CB B:SER88 4.6 23.7 1.0 CA B:GLY90 4.6 24.9 1.0 C B:CYS92 4.8 29.7 1.0 CA B:SER88 4.9 21.3 1.0 C B:HIS91 4.9 30.6 1.0 C B:GLY90 4.9 32.4 1.0 OG1 B:THR105 4.9 30.6 1.0 N B:THR105 5.0 25.1 1.0 N B:CYS103 5.0 18.9 1.0

S.Wichelecki, T.Lukk, H.J.Imker, S.K.Nair, J.A.Gerlt. Crystal Structure of Short Chain Alcohol Dehydrogenase (Rspb) From E. Coli CFT073 (Efi Target Efi-506413) Complexed with Cofactor Nadh To Be Published.