Zinc in PDB 2o3k: Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy

All present enzymatic activity of Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy:
3.5.4.1;

The structure of Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy, PDB code: 2o3k was solved by A.M.Korkegian, B.L.Stoddard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.916, 69.090, 74.174, 90.00, 90.00, 90.00
R / Rfree (%)	20.4 / 25.7

The structure of Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Zinc atom in the Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy (pdb code 2o3k). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy, PDB code: 2o3k:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:13.9 occ:1.00 ND1 A:HIS62 2.2 10.8 1.0 O4 A:HPY411 2.3 10.7 1.0 SG A:CYS91 2.4 13.8 1.0 SG A:CYS94 2.4 9.5 1.0 CE1 A:HIS62 3.1 10.2 1.0 CG A:HIS62 3.2 12.8 1.0 CB A:CYS91 3.3 12.2 1.0 CB A:CYS94 3.3 8.3 1.0 C4 A:HPY411 3.4 6.8 1.0 CB A:HIS62 3.6 11.9 1.0 N3 A:HPY411 3.7 12.9 1.0 C5 A:HPY411 3.7 9.9 1.0 N A:CYS91 3.8 11.1 1.0 N A:CYS94 3.9 7.9 1.0 OE1 A:GLU64 3.9 8.1 1.0 CA A:CYS91 4.1 11.4 1.0 C6 A:HPY411 4.2 13.5 1.0 C2 A:HPY411 4.2 13.7 1.0 CA A:CYS94 4.2 8.4 1.0 OE2 A:GLU64 4.2 12.2 1.0 NE2 A:HIS62 4.2 13.3 1.0 CD A:GLU64 4.3 10.7 1.0 CD2 A:HIS62 4.3 12.5 1.0 N1 A:HPY411 4.4 14.6 1.0 CE A:MET93 4.6 11.8 1.0 C A:CYS91 4.6 11.4 1.0 O A:CYS91 4.7 10.3 1.0 CB A:MET93 4.7 9.2 1.0 C A:PRO90 4.9 11.4 1.0 O2 A:HPY411 4.9 14.9 1.0 C A:MET93 4.9 9.3 1.0

Zinc binding site 2 out of 2 in the Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn400 b:13.2 occ:1.00 O4 B:HPY410 2.2 2.3 1.0 ND1 B:HIS262 2.2 12.3 1.0 SG B:CYS294 2.4 9.1 1.0 SG B:CYS291 2.4 10.2 1.0 CE1 B:HIS262 3.1 12.8 1.0 CG B:HIS262 3.2 10.6 1.0 CB B:CYS294 3.3 5.3 1.0 C4 B:HPY410 3.3 1.2 1.0 CB B:CYS291 3.4 10.1 1.0 CB B:HIS262 3.6 10.6 1.0 C5 B:HPY410 3.6 5.4 1.0 N3 B:HPY410 3.7 7.6 1.0 N B:CYS291 3.8 9.7 1.0 N B:CYS294 3.8 7.0 1.0 OE1 B:GLU264 3.9 7.6 1.0 C6 B:HPY410 4.1 7.7 1.0 CA B:CYS291 4.1 9.9 1.0 CA B:CYS294 4.2 7.0 1.0 C2 B:HPY410 4.2 8.2 1.0 NE2 B:HIS262 4.3 14.7 1.0 OE2 B:GLU264 4.3 9.7 1.0 CD B:GLU264 4.3 9.5 1.0 CD2 B:HIS262 4.4 10.7 1.0 N1 B:HPY410 4.4 8.6 1.0 CE B:MET293 4.4 10.1 1.0 O B:CYS291 4.6 10.6 1.0 C B:CYS291 4.6 9.9 1.0 CB B:MET293 4.7 6.4 1.0 C B:MET293 4.9 7.1 1.0 C B:PRO290 4.9 9.9 1.0 O2 B:HPY410 5.0 12.1 1.0

T.Stolworthy, A.M.Korkegian, C.Willmon, B.L.Stoddard, M.E.Black. Crystal Structure of Yeast Cytosine Deaminase D92E Triple Mutant Bound to Transition State Analogue Hpy To Be Published.