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Magnesium in PDB 2hnd: Crystal Structure of K101E Mutant Hiv-1 Reverse Transcriptase in Complex with Nevirapine

Enzymatic activity of Crystal Structure of K101E Mutant Hiv-1 Reverse Transcriptase in Complex with Nevirapine

All present enzymatic activity of Crystal Structure of K101E Mutant Hiv-1 Reverse Transcriptase in Complex with Nevirapine:
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of K101E Mutant Hiv-1 Reverse Transcriptase in Complex with Nevirapine, PDB code: 2hnd was solved by J.Ren, C.E.Nichols, A.Stamp, P.P.Chamberlain, D.K.Stammers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.72 / 2.50
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 138.900, 114.900, 65.600, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 26.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of K101E Mutant Hiv-1 Reverse Transcriptase in Complex with Nevirapine (pdb code 2hnd). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of K101E Mutant Hiv-1 Reverse Transcriptase in Complex with Nevirapine, PDB code: 2hnd:

Magnesium binding site 1 out of 1 in 2hnd

Go back to Magnesium Binding Sites List in 2hnd
Magnesium binding site 1 out of 1 in the Crystal Structure of K101E Mutant Hiv-1 Reverse Transcriptase in Complex with Nevirapine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of K101E Mutant Hiv-1 Reverse Transcriptase in Complex with Nevirapine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg1303

b:53.3
occ:1.00
 OD2 A:ASP443 2.8 0.2 1.0
CG A:ASP443 3.8 87.6 1.0
OD1 A:ASP443 4.0 93.7 1.0
CD2 A:TYR441 4.1 55.4 1.0
CB A:TYR441 4.4 56.6 1.0
CG2 A:VAL536 4.7 49.9 1.0
O A:VAL442 4.8 69.3 1.0
CG A:TYR441 4.8 59.7 1.0

Reference:

J.Ren, C.E.Nichols, A.Stamp, P.P.Chamberlain, R.Ferris, K.L.Weaver, S.A.Short, D.K.Stammers. Structural Insights Into Mechanisms of Non-Nucleoside Drug Resistance For Hiv-1 Reverse Transcriptases Mutated at Codons 101 or 138. Febs J. V. 273 3850 2006.
ISSN: ISSN 1742-464X
PubMed: 16911530
DOI: 10.1111/J.1742-4658.2006.05392.X
Page generated: Tue Aug 13 23:54:40 2024

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