4K4R
TL-3 inhibited Trp6Ala HIV Protease with 1-bromo-2-napthoic acid bound in exosite
Summary for 4K4R
Entry DOI | 10.2210/pdb4k4r/pdb |
Related | 4K4P 4K4Q |
Related PRD ID | PRD_000434 |
Descriptor | Gag-Pol polyprotein, DIMETHYL SULFOXIDE, 1-bromonaphthalene-2-carboxylic acid, ... (7 entities in total) |
Functional Keywords | fragment binding, exosite, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Human immunodeficiency virus type 1 (HIV-1) |
Cellular location | Matrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P12499 |
Total number of polymer chains | 2 |
Total formula weight | 23312.69 |
Authors | Tiefenbrunn, T.,Stout, C.D. (deposition date: 2013-04-12, release date: 2013-09-18, Last modification date: 2024-02-28) |
Primary citation | Tiefenbrunn, T.,Forli, S.,Happer, M.,Gonzalez, A.,Tsai, Y.,Soltis, M.,Elder, J.H.,Olson, A.J.,Stout, C.D. Crystallographic Fragment-Based Drug Discovery: Use of a Brominated Fragment Library Targeting HIV Protease. Chem.Biol.Drug Des., 83:141-148, 2014 Cited by PubMed: 23998903DOI: 10.1111/cbdd.12227 PDB entries with the same primary citation |
Experimental method | X-RAY DIFFRACTION (1.8 Å) |
Structure validation
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