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Magnesium in PDB 1suq: Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R185545

Enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R185545

All present enzymatic activity of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R185545:
2.7.7.49;

Protein crystallography data

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R185545, PDB code: 1suq was solved by K.Das, E.Arnold, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.99 / 3.00
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 226.110, 69.470, 104.260, 90.00, 106.82, 90.00
R / Rfree (%) 26.2 / 32.5

Other elements in 1suq:

The structure of Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R185545 also contains other interesting chemical elements:

Bromine (Br) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R185545 (pdb code 1suq). 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 Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R185545, PDB code: 1suq:

Magnesium binding site 1 out of 1 in 1suq

Go back to Magnesium Binding Sites List in 1suq
Magnesium binding site 1 out of 1 in the Crystal Structure of Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R185545


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 Hiv-1 Reverse Transcriptase (Rt) in Complex with Janssen-R185545 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg601

b:86.8
occ:1.00
OD1 A:ASP443 2.1 84.1 1.0
OD1 A:ASN545 2.2 0.3 1.0
OD1 A:ASP498 2.3 79.9 1.0
OD2 A:ASP443 2.5 83.9 1.0
CG A:ASP443 2.5 85.0 1.0
CG A:ASP498 2.8 80.8 1.0
CG A:ASN545 2.9 0.7 1.0
OD2 A:ASP498 3.3 79.4 1.0
CB A:ASP498 3.6 78.6 1.0
CB A:ASN545 3.7 0.4 1.0
ND2 A:ASN545 3.8 0.6 1.0
CB A:ASP443 3.9 81.6 1.0
CA A:ASP443 4.7 81.6 1.0
CA A:ASN545 4.8 0.6 1.0
OE1 A:GLU478 4.8 0.4 1.0
O A:ALA538 4.9 0.2 1.0
N A:GLY444 5.0 88.2 1.0
CA A:ASP498 5.0 78.9 1.0

Reference:

K.Das, A.D.Clark Jr., P.J.Lewi, J.Heeres, M.R.De Jonge, L.M.Koymans, H.M.Vinkers, F.Daeyaert, D.W.Ludovici, M.J.Kukla, B.De Corte, R.W.Kavash, C.Y.Ho, H.Ye, M.A.Lichtenstein, K.Andries, R.Pauwles, M.-P.Debethune, P.L.Boyer, P.Clark, S.H.Hughes, P.A.Janssen, E.Arnold. Roles of Conformational and Positional Adaptability in Structure-Based Design of TMC125-R165335 (Etravirine) and Related Non-Nucleoside Reverse Transcriptase Inhibitors That Are Highly Potent and Effective Against Wild-Type and Drug-Resistant Hiv-1 Variants J.Med.Chem. V. 47 2550 2004.
ISSN: ISSN 0022-2623
PubMed: 15115397
DOI: 10.1021/JM030558S
Page generated: Tue Aug 13 14:18:43 2024

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