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Bromine in PDB 1hni: Structure of Hiv-1 Reverse Transcriptase in A Complex with the Nonnucleoside Inhibitor Alpha-Apa R 95845 at 2.8 Angstroms Resolution

Enzymatic activity of Structure of Hiv-1 Reverse Transcriptase in A Complex with the Nonnucleoside Inhibitor Alpha-Apa R 95845 at 2.8 Angstroms Resolution

All present enzymatic activity of Structure of Hiv-1 Reverse Transcriptase in A Complex with the Nonnucleoside Inhibitor Alpha-Apa R 95845 at 2.8 Angstroms Resolution:
2.7.7.49;

Protein crystallography data

The structure of Structure of Hiv-1 Reverse Transcriptase in A Complex with the Nonnucleoside Inhibitor Alpha-Apa R 95845 at 2.8 Angstroms Resolution, PDB code: 1hni was solved by J.Ding, K.Das, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) N/A / 2.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 223.300, 69.900, 106.500, 90.00, 105.40, 90.00
R / Rfree (%) 25.5 / n/a

Bromine Binding Sites:

The binding sites of Bromine atom in the Structure of Hiv-1 Reverse Transcriptase in A Complex with the Nonnucleoside Inhibitor Alpha-Apa R 95845 at 2.8 Angstroms Resolution (pdb code 1hni). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Structure of Hiv-1 Reverse Transcriptase in A Complex with the Nonnucleoside Inhibitor Alpha-Apa R 95845 at 2.8 Angstroms Resolution, PDB code: 1hni:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in 1hni

Go back to Bromine Binding Sites List in 1hni
Bromine binding site 1 out of 2 in the Structure of Hiv-1 Reverse Transcriptase in A Complex with the Nonnucleoside Inhibitor Alpha-Apa R 95845 at 2.8 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Hiv-1 Reverse Transcriptase in A Complex with the Nonnucleoside Inhibitor Alpha-Apa R 95845 at 2.8 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br559

b:29.9
occ:1.00
BR1 A:AAA559 0.0 29.9 1.0
C10 A:AAA559 1.9 25.9 1.0
H8 A:AAA559 2.4 10.0 1.0
C11 A:AAA559 2.8 27.0 1.0
C9 A:AAA559 2.9 25.3 1.0
C8 A:AAA559 3.1 21.9 1.0
C5 A:AAA559 3.6 19.2 1.0
CG1 A:VAL106 3.6 37.0 1.0
HN82 A:AAA559 3.7 10.0 1.0
CD2 A:TYR188 3.7 28.8 1.0
CD1 A:LEU234 4.0 34.3 1.0
N7 A:AAA559 4.1 20.5 1.0
C14 A:AAA559 4.1 27.2 1.0
C8A A:AAA559 4.1 21.2 1.0
C12 A:AAA559 4.1 27.8 1.0
CD2 A:PHE227 4.2 51.4 1.0
N8B A:AAA559 4.2 21.6 1.0
C6 A:AAA559 4.3 20.5 1.0
CE2 A:TYR188 4.3 28.9 1.0
CB A:LEU234 4.3 33.2 1.0
C4 A:AAA559 4.5 18.2 1.0
CB A:VAL106 4.5 37.9 1.0
C4A A:AAA559 4.6 18.8 1.0
C13 A:AAA559 4.6 28.2 1.0
CG2 A:VAL106 4.7 37.3 1.0
CG A:PHE227 4.7 50.9 1.0
CE2 A:PHE227 4.7 51.8 1.0
CG A:LEU234 4.8 33.6 1.0
CG A:TYR188 4.8 28.6 1.0
CB A:PHE227 4.9 50.6 1.0
HN7 A:AAA559 5.0 20.0 1.0
CB A:TYR188 5.0 27.9 1.0

Bromine binding site 2 out of 2 in 1hni

Go back to Bromine Binding Sites List in 1hni
Bromine binding site 2 out of 2 in the Structure of Hiv-1 Reverse Transcriptase in A Complex with the Nonnucleoside Inhibitor Alpha-Apa R 95845 at 2.8 Angstroms Resolution


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Hiv-1 Reverse Transcriptase in A Complex with the Nonnucleoside Inhibitor Alpha-Apa R 95845 at 2.8 Angstroms Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Br559

b:32.4
occ:1.00
BR2 A:AAA559 0.0 32.4 1.0
C14 A:AAA559 1.9 27.2 1.0
HN7 A:AAA559 2.5 20.0 1.0
O8B A:AAA559 2.6 19.5 1.0
C9 A:AAA559 2.8 25.3 1.0
C13 A:AAA559 2.8 28.2 1.0
C8 A:AAA559 3.1 21.9 1.0
N7 A:AAA559 3.1 20.5 1.0
C8A A:AAA559 3.3 21.2 1.0
O1B A:AAA559 3.6 20.2 1.0
CG1 A:VAL179 3.7 28.1 1.0
CG A:LYS103 3.8 37.1 1.0
CE A:LYS103 3.9 37.5 1.0
CB A:VAL179 4.0 27.7 1.0
H8 A:AAA559 4.1 10.0 1.0
O A:LYS101 4.1 30.3 1.0
C10 A:AAA559 4.1 25.9 1.0
C12 A:AAA559 4.1 27.8 1.0
CG2 A:VAL179 4.4 28.5 1.0
C6 A:AAA559 4.4 20.5 1.0
CD A:LYS103 4.5 37.4 1.0
N8B A:AAA559 4.6 21.6 1.0
C11 A:AAA559 4.6 27.0 1.0
C1A A:AAA559 4.6 20.5 1.0
CB A:LEU100 4.7 25.5 1.0
CD1 A:LEU100 4.7 24.9 1.0
C1 A:AAA559 5.0 20.2 1.0

Reference:

J.Ding, K.Das, C.Tantillo, W.Zhang, A.D.Clark Jr., S.Jessen, X.Lu, Y.Hsiou, A.Jacobo-Molina, K.Andries, R.Pauwels, H.Moereels, L.Koymans, P.A.J.Janssen, R.H.Smith Jr., M.K.Koepke, C.J.Michejda, S.H.Hughes, E.Arnold. Structure of Hiv-1 Reverse Transcriptase in A Complex with the Non-Nucleoside Inhibitor Alpha-Apa R 95845 at 2.8 A Resolution. Structure V. 3 365 1995.
ISSN: ISSN 0969-2126
PubMed: 7542140
DOI: 10.1016/S0969-2126(01)00168-X
Page generated: Wed Jul 10 16:39:40 2024

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