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Magnesium in PDB 5txo: Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp

Enzymatic activity of Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp

All present enzymatic activity of Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp:
2.7.7.49; 2.7.7.7;

Protein crystallography data

The structure of Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp, PDB code: 5txo was solved by K.Das, S.M.Martinez, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 45.99 / 2.55
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 89.990, 132.930, 139.120, 90.00, 97.38, 90.00
R / Rfree (%) 19.1 / 22.8

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp (pdb code 5txo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp, PDB code: 5txo:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5txo

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Magnesium binding site 1 out of 4 in the Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:0.3
occ:1.00
 O2B A:DTP603 2.0 0.0 1.0
OD2 A:ASP185 2.1 0.7 1.0
O A:VAL111 2.1 1.0 1.0
OD1 A:ASP110 2.1 0.5 1.0
O2G A:DTP603 2.2 0.7 1.0
O1A A:DTP603 2.3 0.2 1.0
CG A:ASP110 2.8 0.3 1.0
OD2 A:ASP110 3.0 0.1 1.0
PG A:DTP603 3.0 0.6 1.0
O3G A:DTP603 3.1 0.7 1.0
PB A:DTP603 3.2 1.0 1.0
CG A:ASP185 3.3 96.2 1.0
C A:VAL111 3.3 95.6 1.0
PA A:DTP603 3.5 0.8 1.0
O3B A:DTP603 3.5 0.3 1.0
O3A A:DTP603 3.7 0.5 1.0
OD1 A:ASP185 4.0 98.2 1.0
N A:VAL111 4.1 90.5 1.0
CB A:ASP110 4.2 0.1 1.0
N A:GLY112 4.3 95.5 1.0
CA A:VAL111 4.3 89.1 1.0
C5' A:DTP603 4.3 0.6 1.0
CA A:GLY112 4.3 95.0 1.0
O1B A:DTP603 4.3 0.9 1.0
CB A:ASP185 4.3 80.6 1.0
C A:ASP110 4.4 0.1 1.0
O1G A:DTP603 4.4 0.7 1.0
O5' A:DTP603 4.4 0.3 1.0
O2A A:DTP603 4.6 0.9 1.0
CA A:ASP110 4.7 98.8 1.0
N A:ASP113 4.8 0.9 1.0
CB A:VAL111 4.9 86.5 1.0
O A:ASP110 4.9 0.7 1.0
CB A:ALA114 4.9 0.4 1.0
C A:GLY112 5.0 0.2 1.0

Magnesium binding site 2 out of 4 in 5txo

Go back to Magnesium Binding Sites List in 5txo
Magnesium binding site 2 out of 4 in the Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:0.7
occ:1.00
 O T:HOH802 2.0 0.1 1.0
O A:HOH724 2.1 63.9 1.0
OD1 A:ASP443 2.1 72.9 1.0
O A:HOH705 2.1 0.9 1.0
OD2 A:ASP443 2.2 82.5 1.0
CG A:ASP443 2.5 62.9 1.0
O A:GLY444 3.4 66.8 1.0
OD1 A:ASN498 3.7 50.1 1.0
ND2 A:ASN498 3.9 72.3 1.0
CB A:ASP443 4.0 47.7 1.0
OD2 A:ASP549 4.0 74.7 1.0
CG A:ASN498 4.2 57.6 1.0
OP1 T:DC723 4.3 0.7 1.0
N A:GLY444 4.3 49.9 1.0
C A:GLY444 4.4 57.4 1.0
OE2 A:GLU478 4.6 89.4 1.0
CA A:ASP443 4.8 41.2 1.0

Magnesium binding site 3 out of 4 in 5txo

Go back to Magnesium Binding Sites List in 5txo
Magnesium binding site 3 out of 4 in the Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg602

b:0.5
occ:1.00
 O C:VAL111 1.8 0.5 1.0
O2B C:DTP601 2.1 0.5 1.0
OD1 C:ASP110 2.1 0.9 1.0
OD2 C:ASP185 2.1 0.6 1.0
O1A C:DTP601 2.3 0.8 1.0
O2G C:DTP601 2.3 0.8 1.0
C C:VAL111 3.1 0.6 1.0
CG C:ASP110 3.2 0.6 1.0
PB C:DTP601 3.3 0.8 1.0
PG C:DTP601 3.3 0.8 1.0
CG C:ASP185 3.3 89.4 1.0
PA C:DTP601 3.5 0.9 1.0
O3G C:DTP601 3.5 0.3 1.0
O3B C:DTP601 3.7 0.9 1.0
OD2 C:ASP110 3.7 0.8 1.0
O3A C:DTP601 3.8 0.4 1.0
N C:GLY112 4.0 0.7 1.0
N C:VAL111 4.0 0.1 1.0
CA C:GLY112 4.0 97.0 1.0
OD1 C:ASP185 4.0 93.8 1.0
CA C:VAL111 4.1 97.4 1.0
C5' C:DTP601 4.2 98.3 1.0
O5' C:DTP601 4.4 0.5 1.0
CB C:ASP185 4.4 84.8 1.0
N C:ASP113 4.4 99.9 1.0
C C:ASP110 4.4 0.4 1.0
O1B C:DTP601 4.5 0.8 1.0
CB C:ASP110 4.5 0.7 1.0
CB C:ALA114 4.5 0.2 1.0
O2A C:DTP601 4.6 0.3 1.0
C C:GLY112 4.6 99.8 1.0
CB C:VAL111 4.6 88.0 1.0
O1G C:DTP601 4.6 0.9 1.0
NZ C:LYS220 4.6 91.1 1.0
N C:ALA114 4.7 0.8 1.0
O C:ASP110 4.9 0.5 1.0
CA C:ASP110 5.0 94.6 1.0

Magnesium binding site 4 out of 4 in 5txo

Go back to Magnesium Binding Sites List in 5txo
Magnesium binding site 4 out of 4 in the Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Structure of Q151M Complex (A62V, V75I, F77L, F116Y, Q151M) Mutant Hiv-1 Reverse Transcriptase (Rt) Ternary Complex with A Double Stranded Dna and An Incoming Datp within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg603

b:0.6
occ:1.00
 O C:HOH712 2.1 87.7 1.0
O C:HOH703 2.1 89.5 1.0
O C:HOH738 2.1 96.3 1.0
OD1 C:ASP443 2.2 53.0 1.0
OD2 C:ASP443 2.3 61.4 1.0
CG C:ASP443 2.6 51.3 1.0
O C:GLY444 3.4 74.2 1.0
OD1 C:ASN498 3.5 69.5 1.0
OD2 C:ASP549 3.8 60.8 1.0
ND2 C:ASN498 3.8 67.0 1.0
CG C:ASN498 4.1 49.9 1.0
CB C:ASP443 4.1 39.7 1.0
OE2 C:GLU478 4.4 77.9 1.0
N C:GLY444 4.4 49.0 1.0
C C:GLY444 4.5 45.4 1.0
CA C:ASP443 4.9 40.0 1.0
O C:HOH704 4.9 57.2 1.0
CG C:ASP549 4.9 61.5 1.0

Reference:

K.Das, S.E.Martinez, E.Arnold. Structural Insights Into Hiv Reverse Transcriptase Mutations Q151M and Q151M Complex That Confer Multinucleoside Drug Resistance. Antimicrob. Agents V. 61 2017CHEMOTHER..
ISSN: ESSN 1098-6596
PubMed: 28396546
DOI: 10.1128/AAC.00224-17
Page generated: Mon Sep 30 05:04:11 2024

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