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Chlorine in PDB 1fk9: Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Dmp- 266(Efavirenz)

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

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

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Dmp- 266(Efavirenz), PDB code: 1fk9 was solved by J.Ren, J.Milton, K.L.Weaver, S.A.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) 30.00 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 139.800, 115.000, 65.400, 90.00, 90.00, 90.00
R / Rfree (%) 21.8 / 30.1

Other elements in 1fk9:

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

Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Dmp- 266(Efavirenz) (pdb code 1fk9). 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 in Complex with Dmp- 266(Efavirenz), PDB code: 1fk9:

Chlorine binding site 1 out of 1 in 1fk9

Go back to Chlorine Binding Sites List in 1fk9
Chlorine binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase in Complex with Dmp- 266(Efavirenz)


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 in Complex with Dmp- 266(Efavirenz) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl999

b:54.7
occ:1.00
 CL A:EFZ999 0.0 54.7 1.0
C4 A:EFZ999 1.7 41.4 1.0
C5 A:EFZ999 2.7 35.7 1.0
C3 A:EFZ999 2.7 42.2 1.0
O A:HIS235 3.3 60.4 1.0
CG1 A:VAL106 3.7 43.7 1.0
CB A:LEU234 3.7 61.4 1.0
C A:HIS235 3.8 59.3 1.0
O A:LEU234 3.8 58.2 1.0
CD2 A:PHE227 3.8 69.1 1.0
C A:LEU234 4.0 59.0 1.0
C6 A:EFZ999 4.0 37.3 1.0
CG2 A:VAL106 4.0 44.9 1.0
C2 A:EFZ999 4.0 37.2 1.0
OH A:TYR318 4.2 50.7 1.0
N A:PRO236 4.2 59.1 1.0
N A:HIS235 4.3 59.1 1.0
CE2 A:PHE227 4.3 71.3 1.0
CA A:PRO236 4.3 56.5 1.0
CB A:VAL106 4.4 47.1 1.0
CA A:LEU234 4.5 59.5 1.0
C1 A:EFZ999 4.5 35.2 1.0
CA A:HIS235 4.5 58.8 1.0
CG A:LEU234 4.9 65.6 1.0
CG A:PHE227 5.0 68.8 1.0

Reference:

J.Ren, J.Milton, K.L.Weaver, S.A.Short, D.I.Stuart, D.K.Stammers. Structural Basis For the Resilience of Efavirenz (Dmp-266) to Drug Resistance Mutations in Hiv-1 Reverse Transcriptase. Structure Fold.Des. V. 8 1089 2000.
ISSN: ISSN 0969-2126
PubMed: 11080630
DOI: 10.1016/S0969-2126(00)00513-X
Page generated: Fri Jul 19 21:59:38 2024

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