6KMP

100K X-ray structure of HIV-1 protease triple mutant (V32I,I47V,V82I) with tetrahedral intermediate mimic KVS-1

Summary for 6KMP

Entry DOI	10.2210/pdb6kmp/pdb
Related PRD ID	PRD_001037
Descriptor	Protease, N~2~-[(2R,5S)-5-({(2S,3S)-2-[(N-acetyl-L-threonyl)amino]-3-methylpent-4-enoyl}amino)-2-butyl-4,4-dihydroxynonanoyl]-L-glutaminyl-L-argininamide (3 entities in total)
Functional Keywords	hiv-1 protease, tetrahedral intermediate, aids, viral protein, enzyme mechanism, oxyanion, neutron crystallography, hydrogen bonding, hyperconjugation, drug design
Biological source	Human immunodeficiency virus 1
Total number of polymer chains	2
Total formula weight	22310.39
Authors	Das, A.,Kovalevsky, A. (deposition date: 2019-07-31, release date: 2020-07-29, Last modification date: 2023-11-22)
Primary citation	Kumar, M.,Mandal, K.,Blakeley, M.P.,Wymore, T.,Kent, S.B.H.,Louis, J.M.,Das, A.,Kovalevsky, A. Visualizing Tetrahedral Oxyanion Bound in HIV-1 Protease Using Neutrons: Implications for the Catalytic Mechanism and Drug Design. Acs Omega, 5:11605-11617, 2020 Cited by PubMed: 32478251 DOI: 10.1021/acsomega.0c00835 PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.31 Å)

Structure validation