Manganese in PDB 4zq9: X-Ray Structure of Aav-2 Obd Bound to AAVS1 Site 3:1

All present enzymatic activity of X-Ray Structure of Aav-2 Obd Bound to AAVS1 Site 3:1:
3.6.4.12;

The structure of X-Ray Structure of Aav-2 Obd Bound to AAVS1 Site 3:1, PDB code: 4zq9 was solved by F.N.Musayev, F.Zarate-Perez, C.R.Escalante, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	71.097, 137.255, 79.249, 90.00, 111.72, 90.00
R / Rfree (%)	20.5 / 23

The binding sites of Manganese atom in the X-Ray Structure of Aav-2 Obd Bound to AAVS1 Site 3:1 (pdb code 4zq9). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the X-Ray Structure of Aav-2 Obd Bound to AAVS1 Site 3:1, PDB code: 4zq9:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the X-Ray Structure of Aav-2 Obd Bound to AAVS1 Site 3:1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of X-Ray Structure of Aav-2 Obd Bound to AAVS1 Site 3:1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn301 b:99.0 occ:1.00 CE1 A:HIS92 3.0 34.9 1.0 NE2 A:HIS90 3.0 33.4 1.0 OE1 A:GLU83 3.0 45.0 1.0 NE2 A:HIS92 3.5 32.6 1.0 NZ A:LYS160 3.7 53.5 1.0 CE1 A:HIS90 3.8 33.9 1.0 CD2 A:HIS90 4.0 33.4 1.0 ND1 A:HIS92 4.2 34.0 1.0 CD A:GLU83 4.2 42.7 1.0 OE2 A:GLU164 4.6 66.5 1.0 OE2 A:GLU83 4.6 46.0 1.0 CD2 A:HIS92 4.9 29.3 1.0

Manganese binding site 2 out of 2 in the X-Ray Structure of Aav-2 Obd Bound to AAVS1 Site 3:1


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of X-Ray Structure of Aav-2 Obd Bound to AAVS1 Site 3:1 within 5.0Å range: probe atom residue distance (Å) B Occ C:Mn301 b:0.2 occ:1.00 NZ C:LYS160 3.3 51.8 1.0 NE2 C:HIS92 3.4 49.4 1.0 OE1 C:GLU83 3.5 56.1 1.0 CE1 C:HIS92 3.9 51.9 1.0 NE2 C:HIS90 4.0 70.5 1.0 CD2 C:HIS92 4.5 44.1 1.0 CD C:GLU83 4.5 50.6 1.0 CE C:LYS160 4.6 50.0 1.0 OE2 C:GLU164 4.6 68.6 1.0 OE2 C:GLU83 4.8 57.6 1.0 CE1 C:HIS90 4.8 72.7 1.0 CD2 C:HIS90 4.9 74.4 1.0

F.N.Musayev, F.Zarate-Perez, C.Bishop, J.W.Burgner, C.R.Escalante. Structural Insights Into the Assembly of the Adeno-Associated Virus Type 2 REP68 Protein on the Integration Site AAVS1. J.Biol.Chem. V. 290 27487 2015.
ISSN: ESSN 1083-351X
PubMed: 26370092
DOI: 10.1074/JBC.M115.669960