Zinc in PDB 3rn6: Crystal Structure of Cytosine Deaminase From Escherichia Coli Complexed with Zinc and Isoguanine

All present enzymatic activity of Crystal Structure of Cytosine Deaminase From Escherichia Coli Complexed with Zinc and Isoguanine:
3.5.4.1;

The structure of Crystal Structure of Cytosine Deaminase From Escherichia Coli Complexed with Zinc and Isoguanine, PDB code: 3rn6 was solved by A.A.Fedorov, E.V.Fedorov, D.S.Hitchcock, F.M.Raushel, S.C.Almo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.31 / 2.25
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	147.181, 147.181, 199.747, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 24.3

The binding sites of Zinc atom in the Crystal Structure of Cytosine Deaminase From Escherichia Coli Complexed with Zinc and Isoguanine (pdb code 3rn6). 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 Cytosine Deaminase From Escherichia Coli Complexed with Zinc and Isoguanine, PDB code: 3rn6:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Cytosine Deaminase From Escherichia Coli Complexed with Zinc and Isoguanine


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 Cytosine Deaminase From Escherichia Coli Complexed with Zinc and Isoguanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn428 b:39.5 occ:1.00 NE2 A:HIS61 2.0 31.3 1.0 NE2 A:HIS63 2.1 35.9 1.0 O A:HOH431 2.1 42.2 1.0 NE2 A:HIS214 2.2 32.7 1.0 OD2 A:ASP313 2.7 44.8 1.0 CD2 A:HIS63 3.0 37.3 1.0 CE1 A:HIS61 3.0 34.6 1.0 CD2 A:HIS61 3.0 34.8 1.0 CE1 A:HIS214 3.1 37.3 1.0 CD2 A:HIS214 3.1 35.9 1.0 CE1 A:HIS63 3.2 35.7 1.0 CG A:ASP313 3.6 38.8 1.0 NE2 A:HIS246 3.7 36.1 1.0 OD1 A:ASP313 3.8 41.8 1.0 C5 A:IGA430 4.0 52.4 0.7 C6 A:IGA430 4.1 50.5 0.7 ND1 A:HIS61 4.1 38.2 1.0 CG A:HIS63 4.2 38.8 1.0 CG A:HIS61 4.2 34.4 1.0 ND1 A:HIS214 4.2 40.8 1.0 CG A:HIS214 4.2 34.4 1.0 ND1 A:HIS63 4.3 40.8 1.0 N7 A:IGA430 4.3 45.5 0.7 C4 A:IGA430 4.3 51.2 0.7 N6 A:IGA430 4.5 49.9 0.7 N1 A:IGA430 4.5 48.1 0.7 CD2 A:HIS246 4.6 37.6 1.0 CE1 A:HIS246 4.6 39.5 1.0 CD2 A:HIS122 4.7 36.9 1.0 C8 A:IGA430 4.7 50.2 0.7 N3 A:IGA430 4.7 45.0 0.7 N9 A:IGA430 4.7 50.7 0.7 CG A:HIS122 4.8 38.0 1.0 C2 A:IGA430 4.8 50.8 0.7 CB A:ASP313 4.9 37.1 1.0 NE2 A:HIS122 5.0 32.5 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Cytosine Deaminase From Escherichia Coli Complexed with Zinc and Isoguanine


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 Cytosine Deaminase From Escherichia Coli Complexed with Zinc and Isoguanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn429 b:52.7 occ:0.55 NE2 A:HIS97 2.1 46.8 1.0 OE2 A:GLU138 2.4 45.5 1.0 OE1 A:GLU138 2.4 49.6 1.0 CD A:GLU138 2.7 42.9 1.0 CD2 A:HIS97 3.0 45.0 1.0 CE1 A:HIS97 3.1 51.2 1.0 ND1 A:HIS97 4.1 48.2 1.0 CG A:HIS97 4.2 48.5 1.0 CG A:GLU138 4.2 43.7 1.0 NZ A:LYS101 4.2 49.3 1.0 CD A:LYS101 4.9 45.3 1.0

D.S.Hitchcock, A.A.Fedorov, E.V.Fedorov, L.J.Dangott, S.C.Almo, F.M.Raushel. Rescue of the Orphan Enzyme Isoguanine Deaminase. Biochemistry V. 50 5555 2011.
ISSN: ISSN 0006-2960
PubMed: 21604715
DOI: 10.1021/BI200680Y