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

Protein crystallography data

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

Other elements in 1m55:

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

Zinc (Zn) 6 atoms

Chlorine Binding Sites:

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 1m55

Go back to Chlorine Binding Sites List in 1m55
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 1m55

Go back to Chlorine Binding Sites List in 1m55
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

Reference:

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
Page generated: Sat Dec 12 08:42:22 2020

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