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Arsenic in PDB 1hyz: Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium.

Enzymatic activity of Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium.

All present enzymatic activity of Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium.:
2.7.7.49;

Protein crystallography data

The structure of Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium., PDB code: 1hyz was solved by V.Molteni, J.Greenwald, D.Rhodes, Y.Hwang, W.Kwiatkowski, F.D.Bushman, J.S.Siegel, S.Choe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.00 / 2.30
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 72.220, 72.220, 65.160, 90.00, 90.00, 120.00
R / Rfree (%) 23.7 / 29.1

Other elements in 1hyz:

The structure of Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium. also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Arsenic Binding Sites:

The binding sites of Arsenic atom in the Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium. (pdb code 1hyz). This binding sites where shown within 5.0 Angstroms radius around Arsenic atom.
In total 4 binding sites of Arsenic where determined in the Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium., PDB code: 1hyz:
Jump to Arsenic binding site number: 1; 2; 3; 4;

Arsenic binding site 1 out of 4 in 1hyz

Go back to Arsenic Binding Sites List in 1hyz
Arsenic binding site 1 out of 4 in the Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As65

b:50.1
occ:0.80
 AS A:CAF65 0.0 50.1 0.8
SG A:CAF65 2.3 44.0 0.8
CB A:CAF65 3.2 56.8 0.2
CB A:CAF65 3.3 42.2 0.8
OD1 A:ASN120 3.3 45.2 1.0
N A:CAF65 3.7 38.2 0.8
CG A:ASN120 3.7 47.4 1.0
ND2 A:ASN120 3.7 45.0 1.0
N A:CAF65 3.7 56.3 0.2
OE1 A:GLU92 3.8 57.2 0.8
O A:HOH307 3.8 43.8 1.0
O A:HOH348 3.9 53.6 1.0
CA A:CAF65 3.9 57.8 0.2
CA A:CAF65 4.0 41.5 0.8
SG A:CAF65 4.1 54.4 0.2
CG A:GLU92 4.2 56.9 0.8
C A:ASP64 4.2 36.4 0.8
C A:ASP64 4.2 54.7 0.2
CD A:GLU92 4.5 56.7 0.8
OG1 A:THR97 4.6 30.0 1.0
CB A:ASN120 4.7 44.5 1.0
O A:ASP64 4.7 35.5 0.8
O A:ASP64 4.7 55.0 0.2
CA A:ASP64 4.8 35.7 0.8
CG A:GLU92 4.8 62.1 0.2
CA A:ASP64 4.8 53.9 0.2
O A:HOH337 4.9 50.4 1.0

Arsenic binding site 2 out of 4 in 1hyz

Go back to Arsenic Binding Sites List in 1hyz
Arsenic binding site 2 out of 4 in the Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As65

b:38.9
occ:0.20
 AS A:CAF65 0.0 38.9 0.2
OE1 A:GLU92 1.6 57.2 0.8
OE2 A:GLU92 1.9 56.8 0.8
CD A:GLU92 1.9 56.7 0.8
CE1 A:HIS67 2.1 59.1 0.8
SG A:CAF65 2.1 54.4 0.2
CE1 A:HIS67 2.2 66.2 0.2
NE2 A:HIS67 2.5 66.4 0.2
NE2 A:HIS67 2.6 59.6 0.8
CB A:CAF65 3.1 56.8 0.2
ND1 A:HIS67 3.3 58.1 0.8
CG A:GLU92 3.3 56.9 0.8
O A:HOH348 3.3 53.6 1.0
ND1 A:HIS67 3.4 65.9 0.2
CB A:CAF65 3.4 42.2 0.8
OE1 A:GLU92 3.7 63.1 0.2
CD2 A:HIS67 3.7 65.8 0.2
CD A:GLU92 3.8 63.1 0.2
CD2 A:HIS67 3.9 57.8 0.8
CG A:HIS67 4.2 65.3 0.2
OE2 A:GLU92 4.2 62.9 0.2
CG A:HIS67 4.2 57.5 0.8
CG A:GLU92 4.3 62.1 0.2
SG A:CAF65 4.4 44.0 0.8
CG1 A:VAL72 4.4 46.5 1.0
C A:CAF65 4.5 44.6 0.8
CB A:GLU92 4.5 57.0 0.8
CA A:CAF65 4.5 57.8 0.2
CB A:GLU92 4.5 60.8 0.2
CA A:CAF65 4.5 41.5 0.8
N A:THR66 4.6 61.0 0.2
C A:CAF65 4.6 59.6 0.2
O A:CAF65 4.7 45.1 0.8
CG2 A:VAL72 4.7 47.8 1.0
N A:THR66 4.8 46.2 0.8

Arsenic binding site 3 out of 4 in 1hyz

Go back to Arsenic Binding Sites List in 1hyz
Arsenic binding site 3 out of 4 in the Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 3 of Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As130

b:44.1
occ:1.00
 AS A:CAF130 0.0 44.1 1.0
SG A:CAF130 2.3 29.2 1.0
CB A:CAF130 3.1 25.4 1.0
CG2 A:ILE135 4.2 29.6 1.0
O A:ILE135 4.3 33.3 1.0
N A:GLN137 4.3 53.7 1.0
C A:LYS136 4.4 48.7 1.0
CB A:GLN137 4.5 59.0 1.0
CA A:CAF130 4.6 28.7 1.0
O A:LYS136 4.6 45.3 1.0
CA A:GLN137 4.6 60.0 1.0
CB A:ILE135 4.6 33.2 1.0
C A:ILE135 4.7 35.6 1.0
CA A:LYS136 4.8 47.1 1.0
CD2 A:PHE121 4.8 39.7 1.0
CG1 A:VAL126 4.9 29.6 1.0
CG A:PHE121 5.0 38.8 1.0

Arsenic binding site 4 out of 4 in 1hyz

Go back to Arsenic Binding Sites List in 1hyz
Arsenic binding site 4 out of 4 in the Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium.


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 4 of Hiv Integrase Core Domain Complexed with A Derivative of Tetraphenyl Arsonium. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As304

b:79.7
occ:0.50
 AS A:TTO304 0.0 79.7 0.5
C1 A:TTO304 1.9 79.4 0.5
C6 A:TTO304 2.8 81.6 0.5
C2 A:TTO304 2.9 81.3 0.5
O A:GLN168 3.7 63.3 1.0
C3 A:TTO304 4.1 82.2 0.5
C5 A:TTO304 4.2 82.1 0.5
C A:GLN168 4.5 63.8 1.0
O A:HOH380 4.6 50.7 1.0
C4 A:TTO304 4.7 79.6 0.5

Reference:

V.Molteni, J.Greenwald, D.Rhodes, Y.Hwang, W.Kwiatkowski, F.D.Bushman, J.S.Siegel, S.Choe. Identification of A Small-Molecule Binding Site at the Dimer Interface of the Hiv Integrase Catalytic Domain. Acta Crystallogr.,Sect.D V. 57 536 2001.
ISSN: ISSN 0907-4449
PubMed: 11264582
DOI: 10.1107/S0907444901001652
Page generated: Wed Jul 10 11:05:08 2024

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