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Chlorine in PDB 3tam: Crystal Structure of Hiv-1 Reverse Transcriptase (K103N Mutant) in Complex with Inhibitor M06

Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (K103N Mutant) in Complex with Inhibitor M06

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (K103N Mutant) in Complex with Inhibitor M06:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13; 3.4.23.16;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (K103N Mutant) in Complex with Inhibitor M06, PDB code: 3tam was solved by Y.Yan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 16.58 / 2.51
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 117.910, 153.900, 155.690, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 24.9

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase (K103N Mutant) in Complex with Inhibitor M06 (pdb code 3tam). 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 Crystal Structure of Hiv-1 Reverse Transcriptase (K103N Mutant) in Complex with Inhibitor M06, PDB code: 3tam:

Chlorine binding site 1 out of 1 in 3tam

Go back to Chlorine Binding Sites List in 3tam
Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase (K103N Mutant) in Complex with Inhibitor M06


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Hiv-1 Reverse Transcriptase (K103N Mutant) in Complex with Inhibitor M06 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl561

b:56.4
occ:1.00
 CL A:M06561 0.0 56.4 1.0
C10 A:M06561 1.7 56.7 1.0
C11 A:M06561 2.6 54.0 1.0
C9 A:M06561 2.7 56.9 1.0
CH2 A:TRP229 3.7 49.5 1.0
CB A:PRO95 3.8 50.0 1.0
CZ3 A:TRP229 3.8 49.3 1.0
CZ2 A:TRP229 3.9 48.8 1.0
C5 A:M06561 3.9 52.0 1.0
C8 A:M06561 4.0 53.5 1.0
CD1 A:TYR188 4.0 45.7 1.0
CE3 A:TRP229 4.1 48.4 1.0
CD2 A:LEU100 4.2 39.2 1.0
CD1 A:LEU100 4.2 42.7 1.0
CE2 A:TRP229 4.2 50.0 1.0
CG A:PRO95 4.2 54.4 1.0
CE1 A:TYR188 4.3 44.8 1.0
CD2 A:TRP229 4.3 47.3 1.0
C7 A:M06561 4.5 51.3 1.0
CG A:LEU100 4.6 43.1 1.0
CD1 A:TYR181 4.7 54.2 1.0
CD1 A:LEU234 4.8 47.5 1.0
CG A:TYR181 4.9 51.9 1.0
O A:PRO95 4.9 49.1 1.0
CG A:TYR188 4.9 44.7 1.0

Reference:

R.Gomez, S.Jolly, T.Williams, T.Tucker, R.Tynebor, J.Vacca, G.Mcgaughey, M.T.Lai, P.Felock, V.Munshi, D.Destefano, S.Touch, M.Miller, Y.Yan, R.Sanchez, Y.Liang, B.Paton, B.L.Wan, N.Anthony. Design and Synthesis of Pyridone Inhibitors of Non-Nucleoside Reverse Transcriptase. Bioorg.Med.Chem.Lett. V. 21 7344 2011.
ISSN: ISSN 0960-894X
PubMed: 22071300
DOI: 10.1016/J.BMCL.2011.10.027
Page generated: Sat Dec 12 10:11:44 2020

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