Chlorine in PDB 1m55: Catalytic Domain of the Adeno Associated Virus Type 5 Rep Protein

The structure of Catalytic Domain of the Adeno Associated Virus Type 5 Rep Protein, PDB code: 1m55 was solved by A.B.Hickman, D.R.Ronning, R.M.Kotin, F.Dyda, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.40
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	42.888, 73.455, 65.560, 90.00, 94.49, 90.00
R / Rfree (%)	17.8 / 19.6

The structure of Catalytic Domain of the Adeno Associated Virus Type 5 Rep Protein also contains other interesting chemical elements:

Zinc

(Zn)

6 atoms

The binding sites of Chlorine atom in the Catalytic Domain of the Adeno Associated Virus Type 5 Rep Protein (pdb code 1m55). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Catalytic Domain of the Adeno Associated Virus Type 5 Rep Protein, PDB code: 1m55:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Catalytic Domain of the Adeno Associated Virus Type 5 Rep Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Catalytic Domain of the Adeno Associated Virus Type 5 Rep Protein within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl301 b:21.7 occ:1.00 O A:HOH3443 3.2 52.1 1.0 O A:HOH1044 3.2 18.8 1.0 N A:TYR87 3.3 12.8 1.0 N A:GLU86 3.3 15.1 1.0 O A:HOH1046 3.5 34.9 1.0 N A:SER85 3.6 15.1 1.0 CA A:GLY84 3.7 11.9 1.0 O A:TYR87 3.7 10.6 1.0 C A:GLY84 3.9 13.9 1.0 CB A:GLU86 3.9 16.0 1.0 CA A:GLU86 3.9 14.5 1.0 OG A:SER85 4.1 22.6 1.0 C A:GLU86 4.1 14.0 1.0 ND1 A:HIS89 4.1 7.8 1.0 CA A:TYR87 4.2 12.3 1.0 CE1 A:HIS89 4.2 7.8 1.0 CD1 A:TYR87 4.3 16.1 1.0 CB A:TYR87 4.3 13.5 1.0 C A:TYR87 4.4 10.7 1.0 C A:SER85 4.4 16.8 1.0 CA A:SER85 4.5 16.6 1.0 N A:GLY84 4.7 10.6 1.0 OE1 A:GLU86 4.7 45.8 1.0 O A:GLY84 4.8 14.1 1.0 CG A:TYR87 4.8 15.1 1.0 CB A:SER85 4.9 18.3 1.0

Chlorine binding site 2 out of 2 in the Catalytic Domain of the Adeno Associated Virus Type 5 Rep Protein


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Catalytic Domain of the Adeno Associated Virus Type 5 Rep Protein within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:18.4 occ:1.00 N B:TYR87 3.3 11.4 1.0 O B:HOH1252 3.3 17.2 1.0 N B:GLU86 3.3 13.9 1.0 N B:SER85 3.7 14.1 1.0 O B:TYR87 3.7 9.0 1.0 CA B:GLY84 3.7 11.4 1.0 C B:GLY84 3.9 13.5 1.0 CB B:GLU86 3.9 14.6 1.0 CA B:GLU86 3.9 13.2 1.0 C B:GLU86 4.1 13.1 1.0 ND1 B:HIS89 4.1 7.7 1.0 CA B:TYR87 4.2 10.9 1.0 CE1 B:HIS89 4.2 7.9 1.0 OG B:SER85 4.2 22.2 1.0 CD1 B:TYR87 4.3 16.2 1.0 CB B:TYR87 4.3 12.4 1.0 C B:TYR87 4.4 9.5 1.0 C B:SER85 4.4 15.8 1.0 CA B:SER85 4.5 15.6 1.0 N B:GLY84 4.6 9.0 1.0 OE1 B:GLU86 4.7 36.0 1.0 O B:GLY84 4.7 13.8 1.0 CG B:TYR87 4.8 14.0 1.0

A.B.Hickman, D.R.Ronning, R.M.Kotin, F.Dyda. Structural Unity Among Viral Origin Binding Proteins: Crystal Structure of the Nuclease Domain of Adeno-Associated Virus Rep. Mol.Cell V. 10 327 2002.
ISSN: ISSN 1097-2765
PubMed: 12191478
DOI: 10.1016/S1097-2765(02)00592-0