Fluorine in PDB 7z2h: Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine

Enzymatic activity of Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine

All present enzymatic activity of Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine:
2.7.7.49; 2.7.7.7; 3.1.13.2; 3.1.26.13;

Other elements in 7z2h:

The structure of Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine also contains other interesting chemical elements:

Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine (pdb code 7z2h). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine, PDB code: 7z2h:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in 7z2h

Go back to Fluorine Binding Sites List in 7z2h
Fluorine binding site 1 out of 3 in the Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:26.4
occ:1.00
 F A:2KW601 0.0 26.4 1.0
C13 A:2KW601 1.4 26.4 1.0
F14 A:2KW601 2.2 26.4 1.0
F15 A:2KW601 2.2 26.4 1.0
C8 A:2KW601 2.3 26.4 1.0
C9 A:2KW601 2.9 26.4 1.0
CD1 A:TYR181 3.0 18.7 1.0
CE1 A:TYR181 3.1 18.7 1.0
CD2 A:LEU100 3.3 21.8 1.0
C7 A:2KW601 3.5 26.4 1.0
CG A:TYR181 3.7 18.7 1.0
CG1 A:VAL179 3.8 24.7 1.0
O A:2KW601 3.9 26.4 1.0
CZ A:TYR181 4.0 18.7 1.0
C10 A:2KW601 4.4 26.4 1.0
CB A:TYR181 4.4 18.7 1.0
C1 A:2KW601 4.4 26.4 1.0
CD2 A:TYR181 4.5 18.7 1.0
CE2 A:TYR181 4.6 18.7 1.0
O A:VAL179 4.6 24.7 1.0
CG A:LEU100 4.7 21.8 1.0
C2 A:2KW601 4.7 26.4 1.0
CB A:VAL179 4.7 24.7 1.0
OH A:TYR181 4.8 18.7 1.0
C12 A:2KW601 4.8 26.4 1.0
O A:TYR188 4.8 30.3 1.0
N A:TYR181 4.8 18.7 1.0

Fluorine binding site 2 out of 3 in 7z2h

Go back to Fluorine Binding Sites List in 7z2h
Fluorine binding site 2 out of 3 in the Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:26.4
occ:1.00
 F14 A:2KW601 0.0 26.4 1.0
C13 A:2KW601 1.4 26.4 1.0
F A:2KW601 2.2 26.4 1.0
F15 A:2KW601 2.2 26.4 1.0
C8 A:2KW601 2.4 26.4 1.0
C9 A:2KW601 3.0 26.4 1.0
N A:GLY190 3.1 27.2 1.0
CA A:GLY190 3.1 27.2 1.0
C7 A:2KW601 3.5 26.4 1.0
C A:VAL189 3.5 23.3 1.0
O A:VAL179 3.5 24.7 1.0
O A:2KW601 3.8 26.4 1.0
O A:VAL189 3.9 23.3 1.0
O A:TYR188 4.1 30.3 1.0
CG1 A:VAL179 4.2 24.7 1.0
C A:GLY190 4.2 27.2 1.0
CA A:VAL189 4.3 23.3 1.0
C A:VAL179 4.4 24.7 1.0
CB A:VAL179 4.4 24.7 1.0
CG A:LYS103 4.4 28.7 1.0
C10 A:2KW601 4.5 26.4 1.0
C A:TYR188 4.5 30.3 1.0
N A:VAL189 4.5 23.3 1.0
CG2 A:VAL106 4.6 24.6 1.0
O A:GLY190 4.6 27.2 1.0
CD1 A:TYR181 4.7 18.7 1.0
C12 A:2KW601 4.8 26.4 1.0
CB A:LYS103 4.9 28.7 1.0
CA A:VAL179 5.0 24.7 1.0

Fluorine binding site 3 out of 3 in 7z2h

Go back to Fluorine Binding Sites List in 7z2h
Fluorine binding site 3 out of 3 in the Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Cryo-Em Structure of Nnrti Resistant M184I/E138K Mutant Hiv-1 Reverse Transcriptase with A Dna Aptamer in Complex with Doravirine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F601

b:26.4
occ:1.00
 F15 A:2KW601 0.0 26.4 1.0
C13 A:2KW601 1.4 26.4 1.0
F14 A:2KW601 2.2 26.4 1.0
F A:2KW601 2.2 26.4 1.0
O A:2KW601 2.3 26.4 1.0
C8 A:2KW601 2.4 26.4 1.0
C7 A:2KW601 2.7 26.4 1.0
CB A:TYR188 3.2 30.3 1.0
C2 A:2KW601 3.2 26.4 1.0
O A:TYR188 3.3 30.3 1.0
C1 A:2KW601 3.4 26.4 1.0
C A:TYR188 3.5 30.3 1.0
C9 A:2KW601 3.7 26.4 1.0
CA A:TYR188 4.0 30.3 1.0
CD1 A:TYR181 4.0 18.7 1.0
CB A:TYR181 4.1 18.7 1.0
N A:VAL189 4.1 23.3 1.0
CG A:TYR181 4.2 18.7 1.0
C12 A:2KW601 4.2 26.4 1.0
C A:VAL189 4.4 23.3 1.0
CG A:TYR188 4.4 30.3 1.0
C3 A:2KW601 4.4 26.4 1.0
N A:TYR181 4.5 18.7 1.0
O A:VAL189 4.5 23.3 1.0
N A:GLY190 4.5 27.2 1.0
CG2 A:VAL106 4.6 24.6 1.0
CA A:VAL189 4.6 23.3 1.0
O A:VAL179 4.7 24.7 1.0
CD2 A:LEU100 4.7 21.8 1.0
CE1 A:TYR181 4.8 18.7 1.0
C A:2KW601 4.8 26.4 1.0
CA A:TYR181 4.9 18.7 1.0
O16 A:2KW601 4.9 26.4 1.0
C10 A:2KW601 4.9 26.4 1.0
CA A:GLY190 5.0 27.2 1.0

Reference:

A.K.Singh, B.De Wijngaert, M.Bijnens, K.Uyttersprot, H.Nguyen, S.E.Martinez, D.Schols, P.Herdewijn, C.Pannecouque, E.Arnold, K.Das. Cryo-Em Structures of Wild-Type and E138K/M184I Mutant Hiv-1 Rt/Dna Complexed with Inhibitors Doravirine and Rilpivirine. Proc.Natl.Acad.Sci.Usa V. 119 60119 2022.
ISSN: ESSN 1091-6490
PubMed: 35858448
DOI: 10.1073/PNAS.2203660119
Page generated: Fri Aug 2 16:03:47 2024

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