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4X2L

Crystal structure of human BACE-1 bound to Compound 6

Entity
Entity IDChain IDDescriptionTypeChain lengthFormula weightNumber of moleculesDB Name (Accession)Biological sourceDescriptive keywords
1A
(A)
Beta-secretase 1polymer41546441.01UniProt (P56817)
Pfam (PF00026)
Homo sapiens (Human)Aspartyl protease 2,Asp 2,Beta-site amyloid precursor protein cleaving enzyme 1,Beta-site APP cleaving enzyme 1,Memapsin-2,Membrane-associated aspartic protease 2
2B
(A)
(4S)-4-(2,4-difluorophenyl)-4-methyl-5,6-dihydro-4H-1,3-thiazin-2-aminenon-polymer242.31Chemie (3WP)
3C, D
(A)
IODIDE IONnon-polymer126.92Chemie (IOD)
4E, F
(A)
SODIUM IONnon-polymer23.02Chemie (NA)
5G, H, I
(A)
GLYCEROLnon-polymer92.13Chemie (GOL)
6J, K
(A)
DIMETHYL SULFOXIDEnon-polymer78.12Chemie (DMS)
7L
(A)
waterwater18.092Chemie (HOH)
Sequence modifications
A: -15 - 393 (UniProt: P56817)
PDBExternal DatabaseDetails
His 394-expression tag
His 395-expression tag
His 396-expression tag
His 397-expression tag
His 398-expression tag
His 399-expression tag
Sequence viewer
Contents of the asymmetric unit
PolymersNumber of chains1
Total formula weight46441.0
Non-Polymers*Number of molecules10
Total formula weight974.6
All*Total formula weight47415.6
*Water molecules are not included.

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PDB entries from 2024-11-13

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