4CF2

Interrogating HIV integrase for compounds that bind- a SAMPL challenge

Summary for 4CF2

Entry DOI	10.2210/pdb4cf2/pdb
Related	4CE9 4CEA 4CEB 4CEC 4CED 4CEE 4CEF 4CEO 4CEQ 4CER 4CES 4CEZ 4CF0 4CF1 4CF8 4CF9 4CFA 4CFB 4CFC 4CFD
Descriptor	INTEGRASE, SULFATE ION, (2s)-6-[[(1r,2s)-2-(4-azanylbutanoylamino)-2,3-dihydro-1h-inden-1-yl]methyl]-2-(3-hydroxy-3-oxopropyl)-2,3-dihydro-1,4-benzodioxine-5-carboxylic acid, ... (4 entities in total)
Functional Keywords	transferase, hiv integrase, structure based drug design
Biological source	HUMAN IMMUNODEFICIENCY VIRUS 1
Total number of polymer chains	2
Total formula weight	41630.77
Authors	Peat, T.S. (deposition date: 2013-11-13, release date: 2013-11-20, 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 Cited by PubMed: 24532034 DOI: 10.1007/S10822-014-9721-7 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.95 Å)

Structure validation