Zinc in PDB 7bu3: Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli

All present enzymatic activity of Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli:
1.1.1.2;

The structure of Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli, PDB code: 7bu3 was solved by G.T.Nguyen, Y.-G.Kim, J.-W.Ahn, J.H.Chang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.55 / 2.00
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	64.970, 138.990, 168.510, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 20

The binding sites of Zinc atom in the Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli (pdb code 7bu3). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli, PDB code: 7bu3:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:32.5 occ:1.00 NE2 A:HIS63 2.3 26.6 1.0 SG A:CYS41 2.3 21.7 1.0 SG A:CYS152 2.3 20.7 1.0 OE2 A:GLU64 2.6 27.9 1.0 CB A:CYS41 2.8 21.3 1.0 CB A:CYS152 3.0 17.8 1.0 CD2 A:HIS63 3.1 22.1 1.0 CE1 A:HIS63 3.3 24.0 1.0 CD A:GLU64 3.6 23.3 1.0 C5N A:NAP402 3.8 18.8 1.0 NH2 A:ARG332 3.9 21.1 1.0 CG A:GLU64 4.0 23.6 1.0 CG A:HIS63 4.3 22.7 1.0 CA A:CYS41 4.3 23.4 1.0 ND1 A:HIS63 4.3 21.9 1.0 CA A:CYS152 4.4 17.0 1.0 N A:GLY153 4.4 15.7 1.0 C A:CYS152 4.5 17.8 1.0 C6N A:NAP402 4.5 15.5 1.0 CB A:SER43 4.6 18.9 1.0 OG A:SER43 4.6 22.3 1.0 OE1 A:GLU64 4.7 24.4 1.0 C4N A:NAP402 4.8 17.9 1.0 O A:HOH521 4.9 25.9 1.0

Zinc binding site 2 out of 4 in the Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn406 b:22.2 occ:1.00 SG A:CYS99 2.3 19.7 1.0 SG A:CYS96 2.3 20.2 1.0 SG A:CYS110 2.4 21.9 1.0 SG A:CYS102 2.4 19.1 1.0 CB A:CYS110 3.2 22.2 1.0 CB A:CYS102 3.3 17.7 1.0 CB A:CYS96 3.4 23.4 1.0 CB A:CYS99 3.5 19.8 1.0 CA A:CYS110 3.6 18.6 1.0 N A:CYS96 3.6 21.3 1.0 N A:GLY97 3.8 23.2 1.0 CA A:CYS96 3.9 22.8 1.0 N A:CYS99 3.9 22.2 1.0 N A:GLU111 3.9 20.9 1.0 C A:CYS110 4.2 21.1 1.0 C A:CYS96 4.2 24.4 1.0 N A:CYS102 4.2 19.6 1.0 CA A:CYS99 4.3 23.0 1.0 CA A:CYS102 4.4 16.4 1.0 N A:HIS98 4.4 21.9 1.0 N A:GLN112 4.7 23.2 1.0 C A:SER95 4.7 23.4 1.0 CB A:SER95 4.7 21.6 1.0 CA A:GLY97 4.8 20.9 1.0 N A:CYS110 4.8 20.6 1.0 C A:CYS99 4.9 19.2 1.0 C A:GLY97 4.9 22.5 1.0 O A:CYS99 4.9 18.5 1.0

Zinc binding site 3 out of 4 in the Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn404 b:30.9 occ:1.00 NE2 B:HIS63 2.3 22.7 1.0 SG B:CYS152 2.3 19.0 1.0 SG B:CYS41 2.3 22.1 1.0 OE2 B:GLU64 2.7 28.9 1.0 CB B:CYS41 2.9 19.4 1.0 CB B:CYS152 3.1 20.5 1.0 CD2 B:HIS63 3.1 19.8 1.0 CE1 B:HIS63 3.3 23.0 1.0 CD B:GLU64 3.7 21.3 1.0 C5N B:NAP401 3.8 17.9 1.0 CG B:GLU64 4.0 19.4 1.0 NH2 B:ARG332 4.0 20.1 1.0 CG B:HIS63 4.3 23.0 1.0 CA B:CYS41 4.4 23.1 1.0 ND1 B:HIS63 4.4 21.2 1.0 CA B:CYS152 4.4 20.8 1.0 N B:GLY153 4.5 18.9 1.0 OG B:SER43 4.5 22.1 1.0 C6N B:NAP401 4.5 16.8 1.0 C B:CYS152 4.6 18.1 1.0 CB B:SER43 4.6 22.3 1.0 C4N B:NAP401 4.7 17.0 1.0 OE1 B:GLU64 4.8 22.4 1.0 CE3 B:TRP91 4.9 22.0 1.0 O B:HOH514 4.9 24.5 1.0

Zinc binding site 4 out of 4 in the Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Alcohol Dehydrogenase Yjgb in Complex with Nadp From Escherichia Coli within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn405 b:21.6 occ:1.00 SG B:CYS99 2.3 20.1 1.0 SG B:CYS96 2.3 41.1 1.0 SG B:CYS110 2.3 20.4 1.0 SG B:CYS102 2.4 21.0 1.0 CB B:CYS110 3.2 20.3 1.0 CB B:CYS102 3.4 19.1 1.0 CB B:CYS96 3.4 28.8 1.0 CB B:CYS99 3.5 19.4 1.0 CA B:CYS110 3.6 18.7 1.0 N B:CYS96 3.6 23.9 1.0 N B:GLY97 3.7 21.4 1.0 N B:CYS99 3.8 20.1 1.0 CA B:CYS96 3.9 25.3 1.0 N B:GLU111 3.9 19.4 1.0 C B:CYS110 4.2 22.1 1.0 C B:CYS96 4.2 25.3 1.0 CA B:CYS99 4.2 20.6 1.0 N B:CYS102 4.2 15.5 1.0 CA B:CYS102 4.4 18.8 1.0 N B:HIS98 4.4 22.6 1.0 N B:GLN112 4.7 24.6 1.0 CA B:GLY97 4.7 21.3 1.0 C B:SER95 4.8 25.1 1.0 CB B:SER95 4.8 21.8 1.0 N B:CYS110 4.8 16.5 1.0 C B:CYS99 4.9 20.9 1.0 C B:GLY97 4.9 22.8 1.0 O B:CYS99 5.0 18.6 1.0 C B:HIS98 5.0 20.7 1.0

G.T.Nguyen, Y.-G.Kim, J.-W.Ahn, J.H.Chang. Structural Basis For Broad Substrate Selectivity of Alcohol Dehydrogenase Yjgb From Escherichia Coli To Be Published.