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Chlorine in PDB 4bdz: Pfv Intasome with Inhibitor Xz-90

Protein crystallography data

The structure of Pfv Intasome with Inhibitor Xz-90, PDB code: 4bdz was solved by S.Hare, P.Cherepanov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.87 / 2.85
Space group P 41 21 2
Cell size a, b, c (Å), α, β, γ (°) 160.170, 160.170, 123.490, 90.00, 90.00, 90.00
R / Rfree (%) 18.159 / 21.477

Other elements in 4bdz:

The structure of Pfv Intasome with Inhibitor Xz-90 also contains other interesting chemical elements:

Fluorine (F) 1 atom
Magnesium (Mg) 2 atoms
Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pfv Intasome with Inhibitor Xz-90 (pdb code 4bdz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pfv Intasome with Inhibitor Xz-90, PDB code: 4bdz:

Chlorine binding site 1 out of 1 in 4bdz

Go back to Chlorine Binding Sites List in 4bdz
Chlorine binding site 1 out of 1 in the Pfv Intasome with Inhibitor Xz-90


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Pfv Intasome with Inhibitor Xz-90 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1382

b:52.4
occ:1.00
CLA A:19C1382 0.0 52.4 1.0
CAQ A:19C1382 1.7 42.0 1.0
CAO A:19C1382 2.6 41.8 1.0
CAJ A:19C1382 2.6 42.8 1.0
FAD A:19C1382 2.9 39.5 1.0
N3 D:DC16 3.5 37.9 1.0
C2 D:DC16 3.6 38.9 1.0
N1 C:DG4 3.7 41.1 1.0
CB A:GLU221 3.7 42.3 1.0
N2 C:DG4 3.7 38.7 1.0
C2 C:DG4 3.7 40.5 1.0
N A:GLN215 3.8 37.9 1.0
C A:PRO214 3.8 39.5 1.0
C4 D:DC16 3.9 37.8 1.0
O A:PRO214 3.9 40.1 1.0
CAG A:19C1382 3.9 38.3 1.0
CG A:GLU221 3.9 43.2 1.0
CAR A:19C1382 3.9 43.5 1.0
O2 D:DC16 3.9 37.0 1.0
CA A:GLN215 4.0 39.3 1.0
CB A:PRO214 4.1 42.2 1.0
N1 D:DC16 4.1 38.9 1.0
CG A:PRO214 4.3 40.7 1.0
C5 D:DC16 4.3 39.2 1.0
C6 C:DG4 4.4 43.9 1.0
CAH A:19C1382 4.4 40.1 1.0
N4 D:DC16 4.4 37.4 1.0
C6 D:DC16 4.4 39.7 1.0
N3 C:DG4 4.5 44.1 1.0
CA A:PRO214 4.5 40.8 1.0
CD A:GLU221 4.6 43.2 1.0
CG A:GLN215 4.7 47.2 1.0
OE1 A:GLN215 4.7 51.2 1.0
O6 C:DG4 4.8 40.2 1.0
C2' D:DC16 4.8 41.9 1.0
C1' D:DC16 4.9 40.0 1.0
CB A:GLN215 4.9 40.7 1.0
C4 C:DG4 4.9 44.0 1.0
C5 C:DG4 5.0 42.8 1.0

Reference:

M.Metifiot, K.Maddali, B.C.Johnson, S.Hare, S.J.Smith, X.Z.Zhao, C.Marchand, T.R.Burke, S.H.Hughes, P.Cherepanov, Y.Pommier. Activities, Crystal Structures and Molecular Dynamics of Dihydro-1H-Isoindole Derivatives, Inhibitors of Hiv-1 Integrase. Acs Chem.Biol. V. 8 209 2013.
ISSN: ISSN 1554-8929
PubMed: 23075516
DOI: 10.1021/CB300471N
Page generated: Sun Jul 21 10:02:06 2024

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