Zinc in PDB 1yfh: Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine

All present enzymatic activity of Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine:
2.1.1.63;

The structure of Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine, PDB code: 1yfh was solved by E.M.Duguid, P.A.Rice, C.He, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.17 / 3.01
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.150, 102.710, 87.940, 90.00, 106.77, 90.00
R / Rfree (%)	24.6 / 28.6

The binding sites of Zinc atom in the Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine (pdb code 1yfh). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 3 binding sites of Zinc where determined in the Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine, PDB code: 1yfh:
Jump to Zinc binding site number: 1; 2; 3;

Zinc binding site 1 out of 3 in the Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn301 b:78.0 occ:1.00 NE2 A:HIS29 1.9 78.7 1.0 ND1 A:HIS85 1.9 61.7 1.0 SG A:CYS24 2.4 80.3 1.0 CD2 A:HIS29 2.7 78.7 1.0 CE1 A:HIS85 2.8 61.7 1.0 CG A:HIS85 2.9 61.7 1.0 CB A:CYS24 3.0 71.2 1.0 CE1 A:HIS29 3.0 78.7 1.0 SG A:CYS5 3.2 85.0 1.0 CE A:MET7 3.3 74.8 1.0 CB A:HIS85 3.5 75.0 1.0 O A:HIS85 3.7 75.0 1.0 NE2 A:HIS85 3.8 61.7 1.0 CG A:HIS29 3.9 78.7 1.0 CD2 A:HIS85 3.9 61.7 1.0 ND1 A:HIS29 4.0 78.7 1.0 N A:CYS24 4.1 71.2 1.0 CA A:CYS24 4.1 71.2 1.0 C A:HIS85 4.4 75.0 1.0 SD A:MET7 4.5 74.8 1.0 O A:GLY27 4.6 71.6 1.0 CA A:HIS85 4.6 75.0 1.0 CB A:CYS5 4.8 80.6 1.0 CB A:GLN26 4.9 68.3 1.0 NE2 A:GLN90 4.9 80.2 1.0

Zinc binding site 2 out of 3 in the Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn303 b:78.0 occ:1.00 SG B:CYS24 1.9 71.5 1.0 ND1 B:HIS85 2.0 77.3 1.0 NE2 B:HIS29 2.3 60.7 1.0 SG B:CYS5 2.6 80.4 1.0 CE1 B:HIS85 2.7 77.3 1.0 CG B:HIS85 2.8 77.3 1.0 CB B:CYS24 2.8 71.1 1.0 CD2 B:HIS29 3.0 60.7 1.0 CB B:HIS85 3.4 71.7 1.0 CE1 B:HIS29 3.4 60.7 1.0 NE2 B:HIS85 3.6 77.3 1.0 CE B:MET7 3.7 81.0 1.0 CD2 B:HIS85 3.7 77.3 1.0 N B:CYS24 3.9 71.1 1.0 CA B:CYS24 3.9 71.1 1.0 O B:HIS85 4.1 71.7 1.0 CG B:HIS29 4.2 60.7 1.0 CB B:CYS5 4.2 81.7 1.0 CB B:GLN26 4.3 73.3 1.0 ND1 B:HIS29 4.3 60.7 1.0 O B:GLY27 4.4 76.8 1.0 CA B:HIS85 4.6 71.7 1.0 C B:HIS85 4.6 71.7 1.0 N B:GLN26 4.7 73.3 1.0 CA B:CYS5 4.7 81.7 1.0 C B:CYS24 4.7 71.1 1.0 SD B:MET7 4.7 81.0 1.0 N B:GLY27 4.9 76.8 1.0 CA B:GLN26 4.9 73.3 1.0 N B:GLU25 4.9 71.8 1.0 NE2 B:GLN26 4.9 84.4 1.0 C B:GLN26 4.9 73.3 1.0 NE2 B:GLN90 5.0 80.6 1.0

Zinc binding site 3 out of 3 in the Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Wt Human O6-Alkylguanine-Dna Alkyltransferase Bound to Dna Containing An Alkylated Cytosine within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn302 b:78.0 occ:1.00 ND1 C:HIS85 1.9 75.7 1.0 SG C:CYS24 2.1 69.9 1.0 SG C:CYS5 2.2 82.0 1.0 NE2 C:HIS29 2.3 74.2 1.0 CE1 C:HIS85 2.4 75.7 1.0 CG C:HIS85 2.8 75.7 1.0 CB C:CYS24 3.0 73.9 1.0 CD2 C:HIS29 3.2 74.2 1.0 CE1 C:HIS29 3.3 74.2 1.0 NE2 C:HIS85 3.4 75.7 1.0 CB C:HIS85 3.6 76.4 1.0 CD2 C:HIS85 3.6 75.7 1.0 CB C:CYS5 3.6 75.8 1.0 CE C:MET7 3.9 73.0 1.0 CA C:CYS5 4.0 75.8 1.0 O C:HIS85 4.2 76.4 1.0 CA C:CYS24 4.2 73.9 1.0 N C:CYS24 4.3 73.9 1.0 CG C:HIS29 4.4 74.2 1.0 ND1 C:HIS29 4.4 74.2 1.0 CB C:GLN26 4.6 67.7 1.0 NE2 C:GLN26 4.7 81.3 1.0 C C:HIS85 4.8 76.4 1.0 CA C:HIS85 4.8 76.4 1.0 O C:GLY27 4.9 77.0 1.0 N C:CYS5 4.9 75.8 1.0 NE2 C:GLN90 5.0 74.2 1.0 N C:GLN26 5.0 67.7 1.0

E.M.Duguid, P.A.Rice, C.He. The Structure of the Human Agt Protein Bound to Dna and Its Implications For Damage Detection. J.Mol.Biol. V. 350 657 2005.
ISSN: ISSN 0022-2836
PubMed: 15964013
DOI: 10.1016/J.JMB.2005.05.028