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Bromine in PDB 4chz: Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge

Enzymatic activity of Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge

All present enzymatic activity of Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge:
2.7.7.7;

Protein crystallography data

The structure of Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge, PDB code: 4chz was solved by T.S.Peat, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.33 / 1.80
Space group P 31
Cell size a, b, c (Å), α, β, γ (°) 71.160, 71.160, 66.790, 90.00, 90.00, 120.00
R / Rfree (%) 17.821 / 19.452

Other elements in 4chz:

The structure of Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge also contains other interesting chemical elements:

Chlorine (Cl) 3 atoms

Bromine Binding Sites:

The binding sites of Bromine atom in the Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge (pdb code 4chz). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge, PDB code: 4chz:

Bromine binding site 1 out of 1 in 4chz

Go back to Bromine Binding Sites List in 4chz
Bromine binding site 1 out of 1 in the Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br1220

b:49.7
occ:0.60
 BR A:H751220 0.0 49.7 0.6
C14 A:H751220 1.9 41.0 0.6
C13 A:H751220 2.8 39.5 0.6
C16 A:H751220 2.8 39.2 0.6
CD2 A:LEU158 3.1 27.8 0.7
CG A:LEU158 3.2 27.1 0.7
ND1 A:HIS183 3.3 28.4 1.0
O A:MET154 3.6 28.8 1.0
N A:LEU158 3.6 26.2 0.7
N A:LEU158 3.7 25.3 0.3
CD A:GLU157 3.7 40.2 0.5
CG A:GLU157 3.8 33.3 0.5
CB A:GLU157 3.8 31.2 0.5
OE1 A:GLU157 3.8 42.6 0.5
CB A:GLU157 3.8 33.3 0.5
CG A:GLU157 3.8 37.0 0.5
CG A:HIS183 3.8 24.6 1.0
CE1 A:HIS183 3.9 28.7 1.0
CA A:LEU158 4.0 23.8 0.3
CA A:LEU158 4.0 25.2 0.7
CB A:LEU158 4.0 23.2 0.3
CB A:LEU158 4.1 25.8 0.7
C A:GLU157 4.1 27.3 0.5
CG A:MET154 4.1 37.8 1.0
C17 A:H751220 4.1 37.2 0.6
C12 A:H751220 4.1 37.2 0.6
C A:GLU157 4.2 27.2 0.5
CB A:HIS183 4.2 21.0 1.0
OE2 A:GLU157 4.2 42.8 0.5
CD1 A:LEU158 4.3 27.6 0.7
CD1 A:LEU158 4.4 22.8 0.3
CD1 A:ILE161 4.4 26.1 1.0
C A:MET154 4.5 28.7 1.0
CA A:GLU157 4.6 28.8 0.5
CA A:MET154 4.6 32.7 1.0
O A:HOH2057 4.6 43.3 1.0
CA A:GLU157 4.6 29.5 0.5
C11 A:H751220 4.6 36.3 0.6
NE2 A:HIS183 4.7 26.9 1.0
CD2 A:HIS183 4.7 24.2 1.0
O A:GLU157 4.7 25.9 0.5
O A:GLU157 4.7 25.9 0.5
CG A:LEU158 4.8 22.7 0.3
CB A:MET154 4.9 35.1 1.0

Reference:

T.S.Peat, O.Dolezal, J.Newman, D.Mobley, J.J.Deadman. Interrogating Hiv Integrase For Compounds That Bind- A Sampl Challenge. J.Comput.Aided Mol.Des. V. 28 347 2014.
ISSN: ISSN 0920-654X
PubMed: 24532034
DOI: 10.1007/S10822-014-9721-7
Page generated: Wed Jul 10 20:56:53 2024

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