2CNE

Structural Insights into the Design of Nonpeptidic Isothiazolidinone- Containing Inhibitors of Protein Tyrosine Phosphatase 1B

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A	TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1	polymer	304	35549.4	1	UniProt (P18031) Pfam (PF00102) In PDB	HOMO SAPIENS (HUMAN)	PROTEIN-TYROSINE PHOSPHATASE 1B, PTP-1B
2	A	N-({4-[DIFLUORO(PHOSPHONO)METHYL]PHENYL}ACETYL)-L-PHENYLALANYL-4-[DIFLUORO(PHOSPHONO)METHYL]-L-PHENYLALANINAMIDE	non-polymer		689.5	1	Chemie (DFJ)
3	A	SULFATE ION	non-polymer		96.1	2	Chemie (SO4)
4	A	octyl beta-D-glucopyranoside	non-polymer		292.4	1	Chemie (BOG)
5		water	water		18.0	240	Chemie (HOH)

Sequence modifications

A: -5 - -5 (UniProt: P18031)
A: 2 - 298 (UniProt: P18031)
A: -4 - 1 (PDB: 2CNE)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	35549.4
Non-Polymers*	Number of molecules	4
	Total formula weight	1174.0
All*	Total formula weight	36723.4

*Water molecules are not included.