4MC2
HIV protease in complex with SA525P
Summary for 4MC2
Entry DOI | 10.2210/pdb4mc2/pdb |
Related | 3TH9 4MC1 4MC6 4MC9 |
Descriptor | Protease, (3S)-tetrahydrofuran-3-yl {(2S,3R)-4-[(4R)-4-tert-butyl-7-fluoro-1,1-dioxido-4,5-dihydro-1,2-benzothiazepin-2(3H)-yl]-3-hydroxy-1-phenylbutan-2-yl}carbamate, CHLORIDE ION, ... (4 entities in total) |
Functional Keywords | carbamates, drug design, hiv protease inhibitors, protein binding, stereoisomerism, structure-activity relationship, thiazepines, hydrolase-hydrolase inhibitor complex, hydrolase/hydrolase inhibitor |
Biological source | Human immunodeficiency virus 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): P0C6F2 |
Total number of polymer chains | 2 |
Total formula weight | 22777.86 |
Authors | Ganguly, A.K.,Alluri, S.S.,Wang, C.,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 citation | Ganguly, 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.2014.03.038PDB entries with the same primary citation |
Experimental method |
Structure validation
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