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3MXE

Crystal structure of HIV-1 protease inhibitor, KC32 complexed with wild-type protease

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, BHIV-1 proteasepolymer9910815.82UniProt (P03369)
Pfam (PF00077)
In PDB
HIV-1 M:B_ARV2/SF2 (HIV-1)Protease, Retropepsin, PR
2A(5S)-N-{(1S,2R)-3-[(1,3-benzothiazol-6-ylsulfonyl)(2-methylpropyl)amino]-1-benzyl-2-hydroxypropyl}-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamidenon-polymer690.81Chemie (K54)
3BPHOSPHATE IONnon-polymer95.01Chemie (PO4)
4BACETATE IONnon-polymer59.01Chemie (ACT)
5waterwater18.0116Chemie (HOH)
Sequence modifications
A, B: 1 - 99 (UniProt: P03369)
PDBExternal DatabaseDetails
Lys 7Gln 497engineered mutation
Ile 64Val 554engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight21631.6
Non-Polymers*Number of molecules3
Total formula weight844.8
All*Total formula weight22476.3
*Water molecules are not included.

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PDB entries from 2024-06-12

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