4BJO

Nitrate in the active site of PTP1b is a putative mimetic of the transition state

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	TYROSINE-PROTEIN PHOSPHATASE NON-RECEPTOR TYPE 1	polymer	338	39348.7	2	UniProt (P18031) Pfam (PF00102)	HOMO SAPIENS (HUMAN)	PTP1B PROTEIN PHOSPHATASE, PROTEIN-TYROSINE PHOSPHATASE 1B
2	C, D, I, J (A, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
3	E, H (A)	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
4	F, K (A, B)	NITRATE ION	non-polymer		62.0	2	Chemie (NO3)
5	G (A)	1,2-ETHANEDIOL	non-polymer		62.1	1	Chemie (EDO)
6	L, M (A, B)	water	water		18.0	124	Chemie (HOH)

Sequence modifications

A, B: 2 - 321 (UniProt: P18031)

PDB	External Database	Details
Met -16	-	expression tag
Gly -15	-	expression tag
His -14	-	expression tag
His -13	-	expression tag
His -12	-	expression tag
His -11	-	expression tag
His -10	-	expression tag
His -9	-	expression tag
Gly -8	-	expression tag
Thr -7	-	expression tag
Glu -6	-	expression tag
Asn -5	-	expression tag
Leu -4	-	expression tag
Tyr -3	-	expression tag
Phe -2	-	expression tag
Gln -1	-	expression tag
Gly 0	-	expression tag
Ser 1	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	78697.4
Non-Polymers*	Number of molecules	9
	Total formula weight	376.5
All*	Total formula weight	79073.9

*Water molecules are not included.