4CJ3

Interrogating HIV integrase for compounds that bind- a SAMPL challenge

Summary for 4CJ3

• Entry DOI: 10.2210/pdb4cj3/pdb
• Related: 4CJ4 4CJ5
• Descriptor: INTEGRASE, SULFATE ION, 5-[[(1R,2S)-2-(5-azanylpentanoylamino)-2,3-dihydro-1H-inden-1-yl]methyl]-1,3-benzodioxole-4-carboxylic acid, ... (5 entities in total)
• Functional Keywords: transferase, structure based drug design
• Biological source: HUMAN IMMUNODEFICIENCY VIRUS 1
• Total number of polymer chains: 2
• Total formula weight: 41796.86

Authors

Peat, T.S. (deposition date: 2013-12-19, release date: 2014-01-08, Last modification date: 2023-12-20)

• Primary citation: Peat, T.S.,Dolezal, O.,Newman, J.,Mobley, D.,Deadman, J.J.; Interrogating HIV Integrase for Compounds that Bind- a Sampl Challenge.; J.Comput.Aided Mol.Des., 28:347-, 2014; PubMed: 24532034; DOI: 10.1007/S10822-014-9721-7

Experimental method

X-RAY DIFFRACTION (1.7 Å)