4I8N

CRYSTAL STRUCTURE of PROTEIN TYROSINE PHOSPHATASE 1B IN COMPLEX WITH AN INHIBITOR [(4-{(2S)-2-(1,3-BENZOXAZOL-2-YL)-2-[(4-FLUOROPHENYL)SULFAMOYL]ETHYL}PHENYL)AMINO](OXO)ACETIC ACID

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	354	40804.4	1	UniProt (P18031) Pfam (PF00102) In PDB	Homo sapiens (human)	Protein-tyrosine phosphatase 1B, PTP-1B
2	A	[(4-{(2S)-2-(1,3-benzoxazol-2-yl)-2-[(4-fluorophenyl)sulfamoyl]ethyl}phenyl)amino](oxo)acetic acid	non-polymer		483.5	1	Chemie (1CG)
3		water	water		18.0	58	Chemie (HOH)

Sequence modifications

A: 1 - 320 (UniProt: P18031)

PDB	External Database	Details
Met -33	-	expression tag
Gly -32	-	expression tag
Ser -31	-	expression tag
Ser -30	-	expression tag
His -29	-	expression tag
His -28	-	expression tag
His -27	-	expression tag
His -26	-	expression tag
His -25	-	expression tag
His -24	-	expression tag
Ser -23	-	expression tag
Ser -22	-	expression tag
Gly -21	-	expression tag
Leu -20	-	expression tag
Val -19	-	expression tag
Pro -18	-	expression tag
Arg -17	-	expression tag
Gly -16	-	expression tag
Ser -15	-	expression tag
His -14	-	expression tag
Met -13	-	expression tag
Ala -12	-	expression tag
Ser -11	-	expression tag
Met -10	-	expression tag
Thr -9	-	expression tag
Gly -8	-	expression tag
Gly -7	-	expression tag
Gln -6	-	expression tag
Gln -5	-	expression tag
Met -4	-	expression tag
Gly -3	-	expression tag
Arg -2	-	expression tag
Gly -1	-	expression tag
Ser 0	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	40804.4
Non-Polymers*	Number of molecules	1
	Total formula weight	483.5
All*	Total formula weight	41287.9

*Water molecules are not included.