2CNH

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	321	37365.6	1	UniProt (P18031) Pfam (PF00102) In PDB	HOMO SAPIENS (HUMAN)	PROTEIN-TYROSINE PHOSPHATASE 1B, PTP-1B
2	A	CALCIUM ION	non-polymer		40.1	1	Chemie (CA)
3	A	N-[(1S)-1-(1H-BENZIMIDAZOL-2-YL)-2-{4-[(5S)-1,1-DIOXIDO-3-OXOISOTHIAZOLIDIN-5-YL]PHENYL}ETHYL]-4-METHYL-3,4-DIHYDRO-2H-1,4-BENZOXAZINE-7-SULFONAMIDE	non-polymer		581.7	1	Chemie (IZB)
4		water	water		18.0	275	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	37365.6
Non-Polymers*	Number of molecules	2
	Total formula weight	621.7
All*	Total formula weight	37987.4

*Water molecules are not included.