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2AID

STRUCTURE OF A NON-PEPTIDE INHIBITOR COMPLEXED WITH HIV-1 PROTEASE: DEVELOPING A CYCLE OF STRUCTURE-BASED DRUG DESIGN

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A, BHUMAN IMMUNODEFICIENCY VIRUS PROTEASEpolymer9910801.82UniProt (P03369)
Pfam (PF00077)
In PDB
Human immunodeficiency virus 1HIV PROTEASE, HIV PR
2A, BCHLORIDE IONnon-polymer35.52Chemie (CL)
3A, B4-(4-CHLORO-PHENYL)-1-{3-[2-(4-FLUORO-PHENYL)-[1,3]DITHIOLAN-2-YL]-PROPYL}-PIPERIDIN-4-OLnon-polymer452.02Chemie (THK)
4waterwater18.0106Chemie (HOH)
Sequence modifications
A, B: 1 - 99 (UniProt: P03369)
PDBExternal DatabaseDetails
Lys 7Gln 63engineered mutation
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains2
Total formula weight21603.5
Non-Polymers*Number of molecules4
Total formula weight975.0
All*Total formula weight22578.5
*Water molecules are not included.

221051

PDB entries from 2024-06-12

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