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Arsenic in PDB 1itg: Crystal Structure of the Catalytic Domain of Hiv-1 Integrase: Similarity to Other Polynucleotidyl Transferases

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of Hiv-1 Integrase: Similarity to Other Polynucleotidyl Transferases, PDB code: 1itg was solved by F.Dyda, A.B.Hickman, T.M.Jenkins, A.Engelman, R.Craigie, D.R.Davies, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 2.30
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 72.757, 72.757, 66.066, 90.00, 90.00, 120.00
R / Rfree (%) 20.2 / n/a

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Crystal Structure of the Catalytic Domain of Hiv-1 Integrase: Similarity to Other Polynucleotidyl Transferases (pdb code 1itg). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Crystal Structure of the Catalytic Domain of Hiv-1 Integrase: Similarity to Other Polynucleotidyl Transferases, PDB code: 1itg:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1itg

Go back to Arsenic Binding Sites List in 1itg
Arsenic binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of Hiv-1 Integrase: Similarity to Other Polynucleotidyl Transferases


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Crystal Structure of the Catalytic Domain of Hiv-1 Integrase: Similarity to Other Polynucleotidyl Transferases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As213

b:35.3
occ:1.00
SG A:CYS65 2.1 33.2 1.0
CB A:CYS65 2.9 28.2 1.0
N A:CYS65 3.5 22.4 1.0
OD1 A:ASN120 3.6 36.8 1.0
ND2 A:ASN120 3.6 26.7 1.0
CG A:ASN120 3.7 35.6 1.0
CA A:CYS65 3.8 28.3 1.0
OE1 A:GLU92 3.8 56.0 1.0
CD A:GLU92 4.0 53.9 1.0
O A:HOH277 4.0 46.7 1.0
CD1 A:LEU74 4.1 29.2 1.0
C A:ASP64 4.1 20.3 1.0
CG A:GLU92 4.3 47.2 1.0
OE2 A:GLU92 4.5 54.3 1.0
OG1 A:THR97 4.6 21.2 1.0
CB A:ASN120 4.6 30.7 1.0
CA A:ASP64 4.7 20.1 1.0
O A:HOH228 4.7 42.1 1.0
CB A:GLU92 4.7 35.5 1.0
O A:ASP64 4.7 22.1 1.0
O A:HOH229 4.9 23.2 1.0
O A:HOH231 4.9 31.6 1.0

Arsenic binding site 2 out of 2 in 1itg

Go back to Arsenic Binding Sites List in 1itg
Arsenic binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of Hiv-1 Integrase: Similarity to Other Polynucleotidyl Transferases


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Crystal Structure of the Catalytic Domain of Hiv-1 Integrase: Similarity to Other Polynucleotidyl Transferases within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As214

b:36.8
occ:1.00
SG A:CYS130 2.2 28.2 1.0
CB A:CYS130 3.1 20.8 1.0
CG2 A:VAL113 4.0 34.9 1.0
O A:ILE135 4.3 26.4 1.0
C A:LYS136 4.3 37.3 1.0
N A:GLN137 4.3 43.3 1.0
O A:LYS136 4.4 35.4 1.0
CG2 A:ILE135 4.4 25.2 1.0
CA A:CYS130 4.5 17.3 1.0
CG A:GLN137 4.5 49.0 1.0
CB A:GLN137 4.5 47.6 1.0
CA A:GLN137 4.5 48.3 1.0
C A:ILE135 4.6 27.0 1.0
O A:HOH240 4.6 56.8 1.0
CB A:ILE135 4.7 24.9 1.0
CA A:LYS136 4.7 34.8 1.0
O A:HOH243 4.8 80.2 1.0
CG1 A:VAL126 4.8 15.7 1.0
CD2 A:PHE121 4.9 25.1 1.0
N A:LYS136 4.9 32.3 1.0
O A:HOH241 5.0 45.2 1.0

Reference:

F.Dyda, A.B.Hickman, T.M.Jenkins, A.Engelman, R.Craigie, D.R.Davies. Crystal Structure of the Catalytic Domain of Hiv-1 Integrase: Similarity to Other Polynucleotidyl Transferases. Science V. 266 1981 1994.
ISSN: ISSN 0036-8075
PubMed: 7801124
Page generated: Tue Oct 27 16:46:44 2020

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