ISDA: 1TKX

Deposition Date 2004-06-09

Release Date 2004-12-07

Last Version Date 2024-11-06

Entry Detail

PDB ID:

1TKX

Keywords:

TRANSFERASE

Title:

CRYSTAL STRUCTURE OF HIV-1 REVERSE TRANSCRIPTASE IN COMPLEX WITH GW490745

Biological Source:

Source Organism(s):

Human immunodeficiency virus 1 (Taxon ID: 11676)

Expression System(s):

Escherichia coli

Method Details:

Experimental Method:

X-RAY DIFFRACTION

Resolution:

2.85 Å

R-Value Free:

0.28

R-Value Work:

0.21

R-Value Observed:

0.21

Space Group:

P 21 21 21

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Macromolecular Entities

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Pol polyprotein, Reverse tran
Gene (Uniprot):gag-pol
Chain IDs:A
Chain Length:560
Number of Molecules:1
Biological Source:Human immunodeficiency virus 1

UniProt ID:P04585 Pfam ID:PF00078, PF06817, PF06815, PF00075 EC:2.7.7.49

Structures with similar UniProt ID

Protein Blast

Polymer Type:polypeptide(L)
Molecule:Pol polyprotein, Reverse tran
Gene (Uniprot):gag-pol
Chain IDs:B
Chain Length:440
Number of Molecules:1
Biological Source:Human immunodeficiency virus 1

UniProt ID:P04585 Pfam ID:PF00078, PF06817, PF06815, PF00075 EC:2.7.7.49

Modified Residue

Compound ID	Chain ID	Parent Comp ID	Details	2D Image
CSD	A	CYS	3-SULFINOALANINE

Ligand Molecules

GWB

Primary Citation

Design of non-nucleoside inhibitors of HIV-1 reverse transcriptase with improved drug resistance properties. 2.

Freeman, G.A, Andrews Iii, C.W, Hopkins, A.L, Lowell, G.S, Schaller, L.T, Cowan, J.R, Gonzales, S.S, Koszalka, G.W, Hazen, R.J, Boone, L.R, Ferris, R.G, Creech, K.L, Roberts, G.B, Short, S.A, Weaver, K, Reynolds, D.J, Milton, J, Ren, J, Stuart, D.I, Stammers, D.K, Chan, J.H.Show

J. Med. Chem. 47 5923 5936 (2004)

PMID: 15537347 DOI: 10.1021/jm040072r

Abstact

HIV-1 nonnucleoside reverse transcriptase inhibitors (NNRTIs) are part of the combination therapy currently used to treat HIV infection. The features of a new NNRTI drug for HIV treatment must include selective potent activity against both wild-type virus as well as against mutant virus that have been selected by use of current antiretroviral treatment regimens. Based on analogy with known HIV-1 NNRTI inhibitors and modeling studies utilizing the X-ray crystal structure of inhibitors bound in the HIV-1 RT, a series of substituted 2-quinolones was synthesized and evaluated as HIV-1 inhibitors.

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Protein

Chemical

Disease

Primary Citation of related structures

Abstact

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