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4MC6

HIV protease in complex with SA499

Summary for 4MC6
Entry DOI10.2210/pdb4mc6/pdb
Related3TH9 4MC1 4MC2 4MC9
DescriptorProtease, 1-tert-butyl-3-{(2S,3R)-4-[(4R)-7-fluoro-1,1-dioxido-4-(propan-2-yl)-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}urea, 1,2-ETHANEDIOL, ... (5 entities in total)
Functional Keywordscarbamates, drug design, hiv protease inhibitors, protein binding, stereoisomerism, structure-activity relationship, thiazepines, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor
Biological sourceHuman immunodeficiency virus 1 (HIV-1)
Cellular locationMatrix protein p17: Virion (Potential). Capsid protein p24: Virion (Potential). Nucleocapsid protein p7: Virion (Potential). Reverse transcriptase/ribonuclease H: Virion (Potential). Integrase: Virion (Potential): P0C6F2
Total number of polymer chains2
Total formula weight22297.72
Authors
Ganguly, A.K.,Alluri, S.S.,Wang, C.,Antropow, A.,White, A.,Caroccia, D.,Biswas, D.,Kang, E.,Zhang, L.,Carroll, S.S.,Burlein, C.,Munshi, V.,Orth, P.,Strickland, C. (deposition date: 2013-08-21, release date: 2014-04-02, Last modification date: 2024-02-28)
Primary citationGanguly, A.K.,Alluri, S.S.,Wang, C.H.,Antropow, A.,White, A.,Caroccia, D.,Biswas, D.,Kang, E.,Zhang, L.K.,Carroll, S.S.,Burlein, C.,Fay, J.,Orth, P.,Strickland, C.
Structural Optimization of Cyclic Sulfonamide based Novel HIV-1 Protease Inhibitors to Pico Molar Affinities guided by X-ray Crystallographic Analysis
Tetrahedron, 2014
Cited by
DOI: 10.1016/j.tet.2014.03.038
PDB entries with the same primary citation
Experimental method
X-RAY DIFFRACTION (1.31 Å)
Structure validation

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