Atomistry » Fluorine » PDB 1jdj-1mkd » 1jkh
Atomistry »
  Fluorine »
    PDB 1jdj-1mkd »
      1jkh »

Fluorine in PDB 1jkh: Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz)

Enzymatic activity of Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz)

All present enzymatic activity of Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz):
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz), PDB code: 1jkh was solved by J.Ren, C.Nichols, L.Bird, P.Chamberlain, K.Weaver, S.Short, D.I.Stuart, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.68 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 138.500, 109.000, 73.200, 90.00, 90.00, 90.00
R / Rfree (%) 23.6 / 30.3

Other elements in 1jkh:

The structure of Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz) also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz) (pdb code 1jkh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz), PDB code: 1jkh:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 1jkh

Go back to Fluorine Binding Sites List in 1jkh
Fluorine binding site 1 out of 3 in the Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:55.3
occ:1.00
F1 A:EFZ999 0.0 55.3 1.0
C13 A:EFZ999 1.3 60.0 1.0
F2 A:EFZ999 2.1 64.3 1.0
F3 A:EFZ999 2.1 70.6 1.0
C7 A:EFZ999 2.4 59.6 1.0
O2 A:EFZ999 2.8 65.0 1.0
C8 A:EFZ999 2.8 61.1 1.0
O A:TYR188 3.1 61.0 1.0
CG1 A:VAL179 3.6 43.7 1.0
C9 A:EFZ999 3.6 68.7 1.0
O A:VAL179 3.7 53.7 1.0
C14 A:EFZ999 3.7 55.5 1.0
C6 A:EFZ999 3.8 46.5 1.0
C A:TYR188 3.8 55.3 1.0
CB A:CYS181 3.9 58.2 1.0
N A:GLY190 3.9 46.9 1.0
CB A:TYR188 4.0 51.8 1.0
CB A:VAL179 4.2 42.0 1.0
C A:VAL179 4.2 53.7 1.0
N A:CYS181 4.2 61.9 1.0
O1 A:EFZ999 4.3 48.9 1.0
N A:EFZ999 4.4 48.5 1.0
N A:VAL189 4.5 54.9 1.0
C A:VAL189 4.5 47.2 1.0
CA A:VAL189 4.5 49.1 1.0
C1 A:EFZ999 4.6 42.8 1.0
CA A:GLY190 4.6 46.8 1.0
CA A:TYR188 4.6 50.4 1.0
C5 A:EFZ999 4.6 38.1 1.0
CA A:CYS181 4.7 55.5 1.0
C A:ILE180 4.7 59.4 1.0
N A:ILE180 4.8 51.2 1.0
CA A:ILE180 4.8 51.6 1.0
CA A:VAL179 4.9 52.7 1.0

Fluorine binding site 2 out of 3 in 1jkh

Go back to Fluorine Binding Sites List in 1jkh
Fluorine binding site 2 out of 3 in the Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:64.3
occ:1.00
F2 A:EFZ999 0.0 64.3 1.0
C13 A:EFZ999 1.3 60.0 1.0
F1 A:EFZ999 2.1 55.3 1.0
F3 A:EFZ999 2.1 70.6 1.0
C7 A:EFZ999 2.4 59.6 1.0
C8 A:EFZ999 2.9 61.1 1.0
C6 A:EFZ999 3.0 46.5 1.0
C5 A:EFZ999 3.3 38.1 1.0
CG1 A:VAL106 3.5 43.4 1.0
CB A:TYR188 3.5 51.8 1.0
N A:GLY190 3.6 46.9 1.0
O A:TYR188 3.6 61.0 1.0
C9 A:EFZ999 3.6 68.7 1.0
C A:TYR188 3.6 55.3 1.0
O2 A:EFZ999 3.6 65.0 1.0
C A:VAL189 3.8 47.2 1.0
N A:VAL189 3.9 54.9 1.0
CA A:GLY190 3.9 46.8 1.0
C1 A:EFZ999 4.1 42.8 1.0
O A:VAL189 4.1 44.9 1.0
CA A:TYR188 4.1 50.4 1.0
CA A:VAL189 4.2 49.1 1.0
C4 A:EFZ999 4.4 41.7 1.0
C14 A:EFZ999 4.5 55.5 1.0
N A:EFZ999 4.6 48.5 1.0
CB A:VAL106 4.6 43.4 1.0
CG2 A:VAL106 4.6 37.8 1.0
CG A:TYR188 4.7 60.9 1.0
O A:VAL179 4.8 53.7 1.0
CD2 A:TYR188 4.8 57.7 1.0
O A:THR107 4.9 57.4 1.0

Fluorine binding site 3 out of 3 in 1jkh

Go back to Fluorine Binding Sites List in 1jkh
Fluorine binding site 3 out of 3 in the Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Y181C Mutant Hiv-1 Reverse Transcriptase in Complex with Dmp-266(Efavirenz) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F999

b:70.6
occ:1.00
F3 A:EFZ999 0.0 70.6 1.0
C13 A:EFZ999 1.3 60.0 1.0
F2 A:EFZ999 2.1 64.3 1.0
F1 A:EFZ999 2.1 55.3 1.0
C7 A:EFZ999 2.4 59.6 1.0
O2 A:EFZ999 2.9 65.0 1.0
C6 A:EFZ999 2.9 46.5 1.0
C14 A:EFZ999 3.1 55.5 1.0
N A:EFZ999 3.2 48.5 1.0
CA A:GLY190 3.3 46.8 1.0
C1 A:EFZ999 3.3 42.8 1.0
N A:GLY190 3.4 46.9 1.0
C8 A:EFZ999 3.7 61.1 1.0
CG A:LYS103 3.8 38.3 1.0
O1 A:EFZ999 3.9 48.9 1.0
C5 A:EFZ999 3.9 38.1 1.0
CB A:VAL179 4.2 42.0 1.0
CG1 A:VAL179 4.2 43.7 1.0
C A:GLY190 4.2 47.5 1.0
C A:VAL189 4.2 47.2 1.0
O A:VAL179 4.3 53.7 1.0
C2 A:EFZ999 4.4 31.3 1.0
CE A:LYS103 4.5 45.8 1.0
O A:GLY190 4.6 47.1 1.0
O A:TYR188 4.7 61.0 1.0
CD A:LYS103 4.7 42.1 1.0
C9 A:EFZ999 4.7 68.7 1.0
CB A:LYS103 4.8 39.1 1.0
CG1 A:VAL106 4.8 43.4 1.0
C4 A:EFZ999 4.8 41.7 1.0
O A:VAL189 4.8 44.9 1.0
CG2 A:VAL106 4.9 37.8 1.0
CA A:VAL189 5.0 49.1 1.0
C A:VAL179 5.0 53.7 1.0

Reference:

J.Ren, C.Nichols, L.Bird, P.Chamberlain, K.Weaver, S.Short, D.I.Stuart, D.K.Stammers. Structural Mechanisms of Drug Resistance For Mutations at Codons 181 and 188 in Hiv-1 Reverse Transcriptase and the Improved Resilience of Second Generation Non-Nucleoside Inhibitors. J.Mol.Biol. V. 312 795 2001.
ISSN: ISSN 0022-2836
PubMed: 11575933
DOI: 10.1006/JMBI.2001.4988
Page generated: Wed Jul 31 11:40:59 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy