Chlorine in PDB 3hyf: Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Active Site Inhibitor

All present enzymatic activity of Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Active Site Inhibitor:
3.1.26.4;

The structure of Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Active Site Inhibitor, PDB code: 3hyf was solved by E.B.Lansdon, T.A.Kirschberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.10 / 1.70
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	39.717, 90.326, 113.334, 90.00, 90.00, 90.00
R / Rfree (%)	23.3 / 26.6

The structure of Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Active Site Inhibitor also contains other interesting chemical elements:

Manganese

(Mn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Active Site Inhibitor (pdb code 3hyf). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Active Site Inhibitor, PDB code: 3hyf:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Active Site Inhibitor


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 Rnase H P15 with Engineered E. Coli Loop and Active Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:6.9 occ:1.00 CL1 A:ON1701 0.0 6.9 1.0 C3 A:ON1701 1.7 17.9 1.0 C4 A:ON1701 2.7 19.0 1.0 C2 A:ON1701 2.8 17.9 1.0 CL2 A:ON1701 3.3 10.1 1.0 CB A:HIS539 3.9 18.8 1.0 NZ A:LYS540 3.9 41.7 1.0 O A:HOH23 3.9 26.1 1.0 C5 A:ON1701 4.1 21.3 1.0 C1 A:ON1701 4.1 19.7 1.0 O A:HIS539 4.2 23.8 1.0 O A:ALA538 4.4 19.5 1.0 CE A:LYS540 4.5 74.5 1.0 C6 A:ON1701 4.6 18.6 1.0 O A:HOH18 4.6 23.5 1.0 CG A:HIS539 4.7 24.2 1.0 C A:HIS539 4.9 24.3 1.0 CA A:HIS539 5.0 21.2 1.0 CD2 A:HIS539 5.0 20.0 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Active Site Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Hiv-1 Rnase H P15 with Engineered E. Coli Loop and Active Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl701 b:10.1 occ:1.00 CL2 A:ON1701 0.0 10.1 1.0 C2 A:ON1701 1.7 17.9 1.0 C1 A:ON1701 2.7 19.7 1.0 C3 A:ON1701 2.8 17.9 1.0 CL1 A:ON1701 3.3 6.9 1.0 CG A:LEU560 3.8 42.7 1.0 C6 A:ON1701 4.0 18.6 1.0 CD1 A:LEU560 4.1 32.0 1.0 C4 A:ON1701 4.1 19.0 1.0 CD2 A:LEU560 4.3 47.2 1.0 C5 A:ON1701 4.6 21.3 1.0 C A:LEU560 4.8 61.8 1.0

T.A.Kirschberg, M.Balakrishnan, N.H.Squires, T.Barnes, K.M.Brendza, X.Chen, E.J.Eisenberg, W.Jin, N.Kutty, S.Leavitt, A.Liclican, Q.Liu, X.Liu, J.Mak, J.K.Perry, M.Wang, W.J.Watkins, E.B.Lansdon. Rnase H Active Site Inhibitors of Human Immunodeficiency Virus Type 1 Reverse Transcriptase: Design, Biochemical Activity, and Structural Information. J.Med.Chem. V. 52 5781 2009.
ISSN: ISSN 0022-2623
PubMed: 19791799
DOI: 10.1021/JM900597Q